A0A093HGJ7_STRCA Loading...

Squalene monooxygenase

Catalyzes the stereospecific oxidation of squalene to (S)-2,3-epoxysqualene, and is considered to be a rate-limiting enzyme in steroid biosynthesis.

AlphaFold DB , UniProt , Accession A0A093HGJ7, Species STRCA (Struthio camelus australis), Gene n/a, Length 572 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	37.9	Very low	46.3	Very low	205 Å²	205	119.1 Å²	119.1	100%	1.01	62%	0.618	S	S	*	*				0	-41	0	-99.1	169.4	67.6	0	0	113.7
2	W	36.8	Very low	46.7	Very low	216 Å²	216	121.9 Å²	121.9	82%	0.818	62%	0.616	S	S	*	*	H	α-helix	trans	-76.6	-21.1	-178.3	-68	92.4	0	0	0	116	L5 G6	W2-L5 HydrophobicContact CE3-CD2 4.27Å; W2-L5 HydrophobicContact CZ3-CD2 4.16Å; W2-L5 PolarHBondContact O-N 3.13Å; W2-G6 PolarHBondContact O-N 3.3Å
3	T	43	Very low	47.5	Very low	106 Å²	106	119 Å²	119	65%	0.65	61%	0.608	S	S	*	*	H	α-helix	trans	-69.1	-32.2	173.3	44	0	0	0	0	112.7	I7	T3-I7 WeakPolarHBondContact O-CG1 3.22Å; T3-I7 PolarHBondContact O-N 3.11Å
4	F	39.8	Very low	48	Very low	165 Å²	165	122.7 Å²	122.7	72%	0.724	61%	0.612	S	S	*	*	H	α-helix	trans	-72.2	-33.1	175.8	-107.3	-93.7	0	0	0	112.6	A8	F4-A8 VanDerWaalsContact O-CB 3.27Å; F4-A8 WeakPolarHBondContact O-CB 3.33Å; F4-A8 PolarHBondContact O-N 2.88Å
5	L	42.3	Very low	47.9	Very low	104 Å²	104	124.3 Å²	124.3	55%	0.545	61%	0.614	S	S	.	*	H	α-helix	trans	-71.9	-34.7	179.2	-155.8	73.4	0	0	0	111.9	W2 S9	W2-L5 HydrophobicContact CE3-CD2 4.27Å; W2-L5 HydrophobicContact CZ3-CD2 4.16Å; W2-L5 PolarHBondContact O-N 3.13Å; L5-S9 VanDerWaalsContact O-CB 3.25Å; L5-S9 WeakPolarHBondContact O-CB 3.49Å; L5-S9 PolarHBondContact O-N 2.78Å; L5-S9 PolarHBondContact O-OG 2.95Å
6	G	47.3	Very low	47.8	Very low	44 Å²	44	123.3 Å²	123.3	45%	0.454	61%	0.605	S	S	.	*	H	α-helix	trans	-68.6	-41.5	174.9	0	0	0	0	0	113.3	W2 F10	W2-G6 PolarHBondContact O-N 3.3Å; G6-F10 WeakPolarHBondContact O-CB 3.44Å; G6-F10 PolarHBondContact O-N 2.66Å
7	I	55.7	Low	47.9	Very low	103 Å²	103	120.3 Å²	120.3	53%	0.528	60%	0.598	S	S	.	*	H	α-helix	trans	-69.8	-42.7	177.6	-65.4	168.7	0	0	0	110.6	T3 S9 F10 I11	T3-I7 WeakPolarHBondContact O-CG1 3.22Å; T3-I7 PolarHBondContact O-N 3.11Å; I7-S9 PolarHBondContact O-N 3.09Å; I7-F10 PolarHBondContact O-N 2.65Å; I7-I11 HydrophobicContact CG2-CD1 3.68Å; I7-I11 HydrophobicContact CG2-CG1 4.36Å; I7-I11 WeakPolarHBondContact O-CB 3.24Å; I7-I11 VanDerWaalsContact O-CG1 3.25Å; I7-I11 WeakPolarHBondContact O-CG1 3.33Å; I7-I11 PolarHBondContact O-N 2.69Å
8	A	45	Very low	47.6	Very low	56 Å²	56	116.2 Å²	116.2	46%	0.463	59%	0.591	S	S	.	*	H	α-helix	trans	-64.7	-38.6	176	0	0	0	0	0	112.4	F4 Y12	F4-A8 VanDerWaalsContact O-CB 3.27Å; F4-A8 WeakPolarHBondContact O-CB 3.33Å; F4-A8 PolarHBondContact O-N 2.88Å; A8-Y12 WeakPolarHBondContact O-CB 3.22Å; A8-Y12 PolarHBondContact O-N 3.14Å
9	S	50	Low	47.3	Very low	63 Å²	63	115.4 Å²	115.4	44%	0.441	59%	0.589	S	S	.	*	H	α-helix	trans	-68.5	-38.3	175.8	-57.9	0	0	0	0	111.9	L5 I7 Y12 V13	L5-S9 VanDerWaalsContact O-CB 3.25Å; L5-S9 WeakPolarHBondContact O-CB 3.49Å; L5-S9 PolarHBondContact O-N 2.78Å; L5-S9 PolarHBondContact O-OG 2.95Å; I7-S9 PolarHBondContact O-N 3.09Å; S9-Y12 PolarHBondContact O-N 3.22Å; S9-V13 WeakPolarHBondContact O-CB 3.38Å; S9-V13 VanDerWaalsContact O-CG2 3.25Å; S9-V13 WeakPolarHBondContact O-CG2 3.37Å; S9-V13 PolarHBondContact O-N 3.31Å
10	F	53.9	Low	47.1	Very low	149 Å²	149	114.4 Å²	114.4	65%	0.654	58%	0.584	S	S	*	*	H	α-helix	trans	-69.6	-42	176.4	-170.6	-97.2	0	0	0	112.2	G6 I7 Y12 V13 Y14	G6-F10 WeakPolarHBondContact O-CB 3.44Å; G6-F10 PolarHBondContact O-N 2.66Å; I7-F10 PolarHBondContact O-N 2.65Å; F10-Y12 VanDerWaalsContact C-N 3.35Å; F10-V13 PolarHBondContact O-N 3.01Å; F10-Y14 WeakPolarHBondContact O-CB 3.24Å; F10-Y14 PolarHBondContact O-N 3.01Å
11	I	58.2	Low	46.9	Very low	99 Å²	99	116.1 Å²	116.1	51%	0.508	59%	0.592	S	S	.	*	H	α-helix	trans	-65.6	-39	174.2	-67.5	169.9	0	0	0	110.7	I7 Y14 K15	I7-I11 HydrophobicContact CG2-CD1 3.68Å; I7-I11 HydrophobicContact CG2-CG1 4.36Å; I7-I11 WeakPolarHBondContact O-CB 3.24Å; I7-I11 VanDerWaalsContact O-CG1 3.25Å; I7-I11 WeakPolarHBondContact O-CG1 3.33Å; I7-I11 PolarHBondContact O-N 2.69Å; I11-Y14 PolarHBondContact O-N 3.1Å; I11-K15 WeakPolarHBondContact O-CB 3.23Å; I11-K15 PolarHBondContact O-N 3.46Å
12	Y	50	Low	47.4	Very low	153 Å²	153	111.4 Å²	111.4	60%	0.6	58%	0.575	S	S	*	*	H	α-helix	trans	-64.2	-44.6	175.9	-178.5	-100.9	0	0	0	111.7	A8 S9 F10 K16	A8-Y12 WeakPolarHBondContact O-CB 3.22Å; A8-Y12 PolarHBondContact O-N 3.14Å; S9-Y12 PolarHBondContact O-N 3.22Å; F10-Y12 VanDerWaalsContact C-N 3.35Å; Y12-K16 HydrophobicContact CE1-CG 4.31Å; Y12-K16 VanDerWaalsContact O-CB 3.23Å; Y12-K16 WeakPolarHBondContact O-CB 3.35Å; Y12-K16 PolarHBondContact O-N 3.09Å
13	V	57.3	Low	47.8	Very low	84 Å²	84	111.9 Å²	111.9	51%	0.509	58%	0.578	S	S	.	*	H	α-helix	trans	-66.8	-41.4	175.6	171	0	0	0	0	111.3	S9 F10 K16 C17	S9-V13 WeakPolarHBondContact O-CB 3.38Å; S9-V13 VanDerWaalsContact O-CG2 3.25Å; S9-V13 WeakPolarHBondContact O-CG2 3.37Å; S9-V13 PolarHBondContact O-N 3.31Å; F10-V13 PolarHBondContact O-N 3.01Å; V13-K16 PolarHBondContact O-N 3.44Å; V13-C17 VanDerWaalsContact O-CB 3.31Å; V13-C17 WeakPolarHBondContact O-CB 3.43Å; V13-C17 PolarHBondContact O-N 3.5Å; V13-C17 PolarHBondContact O-SG 3.25Å; V13-C17 VanDerWaalsContact O-SG 3.34Å
14	Y	55.3	Low	48.1	Very low	171 Å²	171	107.8 Å²	107.8	67%	0.671	56%	0.555	S	S	*	*	H	α-helix	trans	-64.9	-44.3	177.3	-175	-96.7	0	0	0	112.1	F10 I11 C17 G18	F10-Y14 WeakPolarHBondContact O-CB 3.24Å; F10-Y14 PolarHBondContact O-N 3.01Å; I11-Y14 PolarHBondContact O-N 3.1Å; Y14-C17 PolarHBondContact O-N 3.01Å; Y14-G18 PolarHBondContact O-N 3.21Å
15	K	45.8	Very low	48.8	Very low	146 Å²	146	105.6 Å²	105.6	64%	0.635	55%	0.551	S	S	*	*	H	α-helix	trans	-67.5	-40.3	176.6	-162.1	174.7	-175.6	179.1	0	111.5	I11 G18 D19	I11-K15 WeakPolarHBondContact O-CB 3.23Å; I11-K15 PolarHBondContact O-N 3.46Å; K15-G18 PolarHBondContact O-N 2.98Å; K15-D19 PolarHBondContact O-N 3.26Å
16	K	46.2	Very low	49.1	Very low	108 Å²	108	109.3 Å²	109.3	47%	0.47	56%	0.562	S	S	.	*	H	α-helix	trans	-65.3	-34.2	171.3	-94.4	-82.4	-178.5	178.6	0	112.8	Y12 V13 D19 L20	Y12-K16 HydrophobicContact CE1-CG 4.31Å; Y12-K16 VanDerWaalsContact O-CB 3.23Å; Y12-K16 WeakPolarHBondContact O-CB 3.35Å; Y12-K16 PolarHBondContact O-N 3.09Å; V13-K16 PolarHBondContact O-N 3.44Å; K16-D19 PolarHBondContact O-N 3.43Å; K16-L20 VanDerWaalsContact O-CB 3.3Å; K16-L20 WeakPolarHBondContact O-CB 3.21Å; K16-L20 PolarHBondContact O-N 2.93Å
17	C	49	Very low	49.2	Very low	73 Å²	73	114.1 Å²	114.1	49%	0.493	57%	0.573	S	S	.	*	H	α-helix	trans	-68.5	-34.1	172.6	-81.5	0	0	0	0	112.1	V13 Y14 M21	V13-C17 VanDerWaalsContact O-CB 3.31Å; V13-C17 WeakPolarHBondContact O-CB 3.43Å; V13-C17 PolarHBondContact O-N 3.5Å; V13-C17 PolarHBondContact O-SG 3.25Å; V13-C17 VanDerWaalsContact O-SG 3.34Å; Y14-C17 PolarHBondContact O-N 3.01Å; C17-M21 PolarHBondContact O-N 2.89Å
18	G	43.7	Very low	49.2	Very low	46 Å²	46	112.9 Å²	112.9	47%	0.474	57%	0.57	S	S	.	*	H	α-helix	trans	-62	-43.2	169	0	0	0	0	0	112.6	Y14 K15	Y14-G18 PolarHBondContact O-N 3.21Å; K15-G18 PolarHBondContact O-N 2.98Å
19	D	42.2	Very low	49.5	Very low	101 Å²	101	115.3 Å²	115.3	54%	0.54	58%	0.575	S	S	.	*	H	α-helix	trans	-77.3	-28.5	178.5	-65.1	-24.2	0	0	0	113	K15 K16 M21 T22	K15-D19 PolarHBondContact O-N 3.26Å; K16-D19 PolarHBondContact O-N 3.43Å; D19-M21 VanDerWaalsContact C-N 3.29Å; D19-M21 PolarHBondContact O-N 2.81Å; D19-T22 PolarHBondContact O-N 3.27Å; D19-T22 PolarHBondContact O-OG1 2.76Å
20	L	42	Very low	49.9	Very low	95 Å²	95	117.4 Å²	117.4	50%	0.497	58%	0.581	S	S	.	*	H	α-helix	trans	-66.7	-29.8	176.2	-138	91.2	0	0	0	112.3	K16 T22 Y23 A24	K16-L20 VanDerWaalsContact O-CB 3.3Å; K16-L20 WeakPolarHBondContact O-CB 3.21Å; K16-L20 PolarHBondContact O-N 2.93Å; L20-T22 PolarHBondContact O-N 2.9Å; L20-T22 VanDerWaalsContact O-N 3.16Å; L20-Y23 PolarHBondContact O-N 3.31Å; L20-A24 HydrophobicContact CD2-CB 4.13Å; L20-A24 HydrophobicContact CG-CB 4.13Å; L20-A24 VanDerWaalsContact O-CB 3.23Å; L20-A24 WeakPolarHBondContact O-CB 3.47Å; L20-A24 PolarHBondContact O-N 3.48Å
21	M	43.7	Very low	50.1	Low	152 Å²	152	113 Å²	113	75%	0.749	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-17.1	176.3	-84.4	-85.8	-78.3	0	0	113.1	C17 D19	C17-M21 PolarHBondContact O-N 2.89Å; D19-M21 VanDerWaalsContact C-N 3.29Å; D19-M21 PolarHBondContact O-N 2.81Å
22	T	49.3	Very low	50.6	Low	106 Å²	106	112 Å²	112	65%	0.65	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-16.8	178	8.1	0	0	0	0	114.3	D19 L20	D19-T22 PolarHBondContact O-N 3.27Å; D19-T22 PolarHBondContact O-OG1 2.76Å; L20-T22 PolarHBondContact O-N 2.9Å; L20-T22 VanDerWaalsContact O-N 3.16Å
23	Y	43.2	Very low	51.4	Low	225 Å²	225	109.3 Å²	109.3	88%	0.882	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.7	-11.4	-175.3	-112.4	-91.7	0	0	0	115.3	L20	L20-Y23 PolarHBondContact O-N 3.31Å
24	A	50.7	Low	52.4	Low	20 Å²	20	109.2 Å²	109.2	17%	0.165	56%	0.561	C	S	.	*			trans	-100.4	28.7	-172.6	0	0	0	0	0	115	L20 K26 V28	L20-A24 HydrophobicContact CD2-CB 4.13Å; L20-A24 HydrophobicContact CG-CB 4.13Å; L20-A24 VanDerWaalsContact O-CB 3.23Å; L20-A24 WeakPolarHBondContact O-CB 3.47Å; L20-A24 PolarHBondContact O-N 3.48Å; A24-K26 VanDerWaalsContact C-N 3.28Å; A24-K26 PolarHBondContact O-N 3.08Å; A24-V28 HydrophobicContact CB-CG2 3.72Å; A24-V28 VanDerWaalsContact O-CB 3.3Å; A24-V28 WeakPolarHBondContact O-CB 3.36Å; A24-V28 WeakPolarHBondContact O-CG2 3.41Å; A24-V28 PolarHBondContact O-N 3.44Å
25	N	54.4	Low	53.1	Low	119 Å²	119	107.3 Å²	107.3	64%	0.636	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-16.5	-172.3	-82.2	-26	0	0	0	115.5	L29	N25-L29 WeakPolarHBondContact O-CB 3.45Å
26	K	48	Very low	54.2	Low	182 Å²	182	103 Å²	103	79%	0.791	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-48.8	179.4	-70.1	-172.7	-177.9	179.7	0	112.9	A24 L29 L30	A24-K26 VanDerWaalsContact C-N 3.28Å; A24-K26 PolarHBondContact O-N 3.08Å; K26-L29 PolarHBondContact O-N 3.04Å; K26-L30 VanDerWaalsContact O-CB 3.3Å; K26-L30 WeakPolarHBondContact O-CB 3.46Å; K26-L30 PolarHBondContact O-N 3.39Å
27	E	49.4	Very low	55.4	Low	145 Å²	145	100.8 Å²	100.8	68%	0.678	54%	0.536	S	S	*	.	H	α-helix	trans	-66.9	-40.2	-179.7	-69.7	-78.3	150.4	0	0	112.4	L30 S31	E27-L30 PolarHBondContact O-N 2.85Å; E27-S31 VanDerWaalsContact O-CB 3.28Å; E27-S31 WeakPolarHBondContact O-CB 3.5Å; E27-S31 PolarHBondContact O-N 2.79Å; E27-S31 PolarHBondContact O-OG 2.84Å
28	V	55.6	Low	56.7	Low	77 Å²	77	101.7 Å²	101.7	47%	0.467	54%	0.536	S	S	.	.	H	α-helix	trans	-72	-38.7	176.4	177.2	0	0	0	0	110.4	A24 S31 V32	A24-V28 HydrophobicContact CB-CG2 3.72Å; A24-V28 VanDerWaalsContact O-CB 3.3Å; A24-V28 WeakPolarHBondContact O-CB 3.36Å; A24-V28 WeakPolarHBondContact O-CG2 3.41Å; A24-V28 PolarHBondContact O-N 3.44Å; V28-S31 PolarHBondContact O-N 3.14Å; V28-V32 HydrophobicContact CG1-CG2 4.22Å; V28-V32 VanDerWaalsContact O-CB 3.29Å; V28-V32 WeakPolarHBondContact O-CB 3.3Å; V28-V32 WeakPolarHBondContact O-CG2 3.46Å; V28-V32 PolarHBondContact O-N 2.96Å
29	L	52.3	Low	57.9	Low	108 Å²	108	100.4 Å²	100.4	57%	0.565	52%	0.522	S	S	*	.	H	α-helix	trans	-64.8	-40.5	174.4	-169.5	81.4	0	0	0	111.4	N25 K26 V32 L33	N25-L29 WeakPolarHBondContact O-CB 3.45Å; K26-L29 PolarHBondContact O-N 3.04Å; L29-V32 PolarHBondContact O-N 2.9Å; L29-L33 HydrophobicContact CG-CD1 4.24Å; L29-L33 VanDerWaalsContact O-CB 3.3Å; L29-L33 WeakPolarHBondContact O-CB 3.43Å; L29-L33 VanDerWaalsContact O-CG 3.24Å; L29-L33 WeakPolarHBondContact O-CG 3.32Å; L29-L33 PolarHBondContact O-N 2.85Å
30	L	58.2	Low	59	Low	107 Å²	107	99.5 Å²	99.5	56%	0.56	52%	0.517	S	S	*	.	H	α-helix	trans	-65.3	-43.8	175.4	-148.3	86.2	0	0	0	110.9	K26 E27 L33 V34	K26-L30 VanDerWaalsContact O-CB 3.3Å; K26-L30 WeakPolarHBondContact O-CB 3.46Å; K26-L30 PolarHBondContact O-N 3.39Å; E27-L30 PolarHBondContact O-N 2.85Å; L30-L33 PolarHBondContact O-N 2.99Å; L30-V34 WeakPolarHBondContact O-CB 3.47Å; L30-V34 WeakPolarHBondContact O-CG2 3.22Å; L30-V34 PolarHBondContact O-N 2.65Å
31	S	57.7	Low	60.3	Low	55 Å²	55	99.6 Å²	99.6	39%	0.385	52%	0.518	S	S	.	.	H	α-helix	trans	-62.9	-45.8	176	-61.9	0	0	0	0	111	E27 V28 L33 V34 F35	E27-S31 VanDerWaalsContact O-CB 3.28Å; E27-S31 WeakPolarHBondContact O-CB 3.5Å; E27-S31 PolarHBondContact O-N 2.79Å; E27-S31 PolarHBondContact O-OG 2.84Å; V28-S31 PolarHBondContact O-N 3.14Å; S31-L33 VanDerWaalsContact C-N 3.35Å; S31-L33 PolarHBondContact O-N 2.92Å; S31-V34 PolarHBondContact O-N 3.46Å; S31-F35 WeakPolarHBondContact O-CB 3.41Å; S31-F35 WeakPolarHBondContact O-CD2 3.23Å; S31-F35 PolarHBondContact O-N 3.45Å
32	V	69.4	Low	61.5	Low	79 Å²	79	95.3 Å²	95.3	48%	0.479	50%	0.497	S	S	.	.	H	α-helix	trans	-60.9	-43.9	174.6	169.3	0	0	0	0	110.3	V28 L29 V34 F35 F36	V28-V32 HydrophobicContact CG1-CG2 4.22Å; V28-V32 VanDerWaalsContact O-CB 3.29Å; V28-V32 WeakPolarHBondContact O-CB 3.3Å; V28-V32 WeakPolarHBondContact O-CG2 3.46Å; V28-V32 PolarHBondContact O-N 2.96Å; L29-V32 PolarHBondContact O-N 2.9Å; V32-V34 PolarHBondContact O-N 3.38Å; V32-F35 PolarHBondContact O-N 2.94Å; V32-F36 WeakPolarHBondContact O-CA 3.31Å; V32-F36 WeakPolarHBondContact O-CB 3.41Å; V32-F36 PolarHBondContact O-N 3.41Å
33	L	67	Low	61.9	Low	97 Å²	97	91.8 Å²	91.8	51%	0.508	48%	0.477	S	S	.	.	H	α-helix	trans	-63.2	-40.5	175.9	-78.9	165.7	0	0	0	112.2	L29 L30 S31 S37	L29-L33 HydrophobicContact CG-CD1 4.24Å; L29-L33 VanDerWaalsContact O-CB 3.3Å; L29-L33 WeakPolarHBondContact O-CB 3.43Å; L29-L33 VanDerWaalsContact O-CG 3.24Å; L29-L33 WeakPolarHBondContact O-CG 3.32Å; L29-L33 PolarHBondContact O-N 2.85Å; L30-L33 PolarHBondContact O-N 2.99Å; S31-L33 VanDerWaalsContact C-N 3.35Å; S31-L33 PolarHBondContact O-N 2.92Å; L33-S37 VanDerWaalsContact O-CB 3.26Å; L33-S37 WeakPolarHBondContact O-CB 3.2Å; L33-S37 PolarHBondContact O-N 3.2Å; L33-S37 PolarHBondContact O-OG 3.45Å
34	V	77.1	Confident	63.1	Low	81 Å²	81	88.1 Å²	88.1	49%	0.491	46%	0.463	S	S	.	.	H	α-helix	trans	-67.4	-46.9	176.8	170	0	0	0	0	110.8	L30 S31 V32 F36 S37 L38	L30-V34 WeakPolarHBondContact O-CB 3.47Å; L30-V34 WeakPolarHBondContact O-CG2 3.22Å; L30-V34 PolarHBondContact O-N 2.65Å; S31-V34 PolarHBondContact O-N 3.46Å; V32-V34 PolarHBondContact O-N 3.38Å; V34-F36 VanDerWaalsContact C-N 3.35Å; V34-F36 PolarHBondContact O-N 2.76Å; V34-S37 WeakPolarHBondContact CA-OG 3.34Å; V34-S37 PolarHBondContact O-N 2.87Å; V34-S37 PolarHBondContact O-OG 3.2Å; V34-L38 WeakPolarHBondContact O-CB 3.14Å; V34-L38 PolarHBondContact O-N 3.22Å
35	F	70.1	Confident	63.5	Low	132 Å²	132	95.4 Å²	95.4	58%	0.579	49%	0.486	S	S	*	.	H	α-helix	trans	-67.6	-35.4	177	-77	-65.6	0	0	0	112.2	S31 V32 G39	S31-F35 WeakPolarHBondContact O-CB 3.41Å; S31-F35 WeakPolarHBondContact O-CD2 3.23Å; S31-F35 PolarHBondContact O-N 3.45Å; V32-F35 PolarHBondContact O-N 2.94Å; F35-G39 PolarHBondContact O-N 2.82Å
36	F	70.1	Confident	63.4	Low	56 Å²	56	97 Å²	97	25%	0.246	48%	0.484	C	S	.	.	H	α-helix	trans	-69.9	-43.5	177.2	-167.1	-100.7	0	0	0	111.6	V32 V34 G39 L40 F560	V32-F36 WeakPolarHBondContact O-CA 3.31Å; V32-F36 WeakPolarHBondContact O-CB 3.41Å; V32-F36 PolarHBondContact O-N 3.41Å; V34-F36 VanDerWaalsContact C-N 3.35Å; V34-F36 PolarHBondContact O-N 2.76Å; F36-G39 PolarHBondContact O-N 3.27Å; F36-L40 HydrophobicContact CD1-CD1 3.77Å; F36-L40 HydrophobicContact CE1-CD1 3.6Å; F36-L40 HydrophobicContact CE1-CG 4.4Å; F36-L40 HydrophobicContact CZ-CD1 4.41Å; F36-L40 WeakPolarHBondContact O-CB 3.21Å; F36-L40 WeakPolarHBondContact O-CG 3.42Å; F36-L40 PolarHBondContact O-N 3.11Å; F36-F560 HydrophobicContact CD2-CB 4.43Å; F36-F560 HydrophobicContact CD2-CD1 4.26Å; F36-F560 AromaticContact CD2-CD2 3.97Å; F36-F560 HydrophobicContact CD2-CD2 3.97Å; F36-F560 HydrophobicContact CD2-CE2 4.26Å; F36-F560 AromaticContact CD2-CG 3.98Å; F36-F560 HydrophobicContact CD2-CG 3.98Å; F36-F560 HydrophobicContact CE2-CB 4.22Å; F36-F560 HydrophobicContact CE2-CD1 4.49Å; F36-F560 HydrophobicContact CE2-CG 4.21Å
37	S	70.8	Confident	63.7	Low	61 Å²	61	97.7 Å²	97.7	43%	0.427	48%	0.482	S	S	.	.	H	α-helix	trans	-67.7	-40.4	175.3	51.3	0	0	0	0	112.2	L33 V34 L40 L41	L33-S37 VanDerWaalsContact O-CB 3.26Å; L33-S37 WeakPolarHBondContact O-CB 3.2Å; L33-S37 PolarHBondContact O-N 3.2Å; L33-S37 PolarHBondContact O-OG 3.45Å; V34-S37 WeakPolarHBondContact CA-OG 3.34Å; V34-S37 PolarHBondContact O-N 2.87Å; V34-S37 PolarHBondContact O-OG 3.2Å; S37-L40 PolarHBondContact O-N 2.63Å; S37-L41 WeakPolarHBondContact O-CB 3.46Å; S37-L41 PolarHBondContact O-N 3.11Å
38	L	75	Confident	63.9	Low	91 Å²	91	98.3 Å²	98.3	48%	0.476	48%	0.483	S	S	.	.	H	α-helix	trans	-65.3	-40.7	173.8	-166.2	72.6	0	0	0	111.7	V34 L41 L42	V34-L38 WeakPolarHBondContact O-CB 3.14Å; V34-L38 PolarHBondContact O-N 3.22Å; L38-L41 PolarHBondContact O-N 3.29Å; L38-L42 HydrophobicContact CG-CD1 4.04Å; L38-L42 WeakPolarHBondContact O-CB 3.26Å; L38-L42 VanDerWaalsContact O-CG 3.28Å; L38-L42 WeakPolarHBondContact O-CG 3.18Å; L38-L42 PolarHBondContact O-N 2.98Å
39	G	69.8	Low	63.2	Low	19 Å²	19	105.5 Å²	105.5	20%	0.196	50%	0.501	C	S	.	.	H	α-helix	trans	-62.5	-43.1	175.1	0	0	0	0	0	112.8	F35 F36 L42 S43	F35-G39 PolarHBondContact O-N 2.82Å; F36-G39 PolarHBondContact O-N 3.27Å; G39-L42 PolarHBondContact O-N 3.17Å; G39-S43 VanDerWaalsContact O-CB 3.29Å; G39-S43 WeakPolarHBondContact O-CB 3.49Å; G39-S43 PolarHBondContact O-N 3.3Å
40	L	65.6	Low	62.6	Low	82 Å²	82	102.8 Å²	102.8	43%	0.429	50%	0.499	S	S	.	.	H	α-helix	trans	-62.4	-43.1	173.8	-79.9	167.2	0	0	0	112	F36 S37 S43 Y44	F36-L40 HydrophobicContact CD1-CD1 3.77Å; F36-L40 HydrophobicContact CE1-CD1 3.6Å; F36-L40 HydrophobicContact CE1-CG 4.4Å; F36-L40 HydrophobicContact CZ-CD1 4.41Å; F36-L40 WeakPolarHBondContact O-CB 3.21Å; F36-L40 WeakPolarHBondContact O-CG 3.42Å; F36-L40 PolarHBondContact O-N 3.11Å; S37-L40 PolarHBondContact O-N 2.63Å; L40-S43 PolarHBondContact O-N 3.38Å; L40-Y44 WeakPolarHBondContact O-CB 3.49Å; L40-Y44 PolarHBondContact O-N 3.32Å
41	L	69.4	Low	61.6	Low	98 Å²	98	104.2 Å²	104.2	51%	0.513	52%	0.515	S	S	.	.	H	α-helix	trans	-62.9	-43	177.3	-110.8	152.1	0	0	0	112.5	S37 L38 Y44 R45	S37-L41 WeakPolarHBondContact O-CB 3.46Å; S37-L41 PolarHBondContact O-N 3.11Å; L38-L41 PolarHBondContact O-N 3.29Å; L41-Y44 PolarHBondContact O-N 2.95Å; L41-R45 PolarHBondContact O-N 3.06Å; L41-R45 VanDerWaalsContact O-N 3.1Å
42	L	67.6	Low	60.4	Low	61 Å²	61	111.4 Å²	111.4	32%	0.319	54%	0.539	S	S	.	.	H	α-helix	trans	-71.9	-38.3	178.6	-68.8	168.2	0	0	0	111.6	L38 G39 Y44 R45 Y46 Y553	L38-L42 HydrophobicContact CG-CD1 4.04Å; L38-L42 WeakPolarHBondContact O-CB 3.26Å; L38-L42 VanDerWaalsContact O-CG 3.28Å; L38-L42 WeakPolarHBondContact O-CG 3.18Å; L38-L42 PolarHBondContact O-N 2.98Å; G39-L42 PolarHBondContact O-N 3.17Å; L42-Y44 VanDerWaalsContact C-N 3.34Å; L42-R45 PolarHBondContact O-N 3.42Å; L42-Y46 PolarHBondContact O-N 3.2Å; L42-Y553 HydrophobicContact CB-CE2 3.78Å; L42-Y553 HydrophobicContact CD1-CD2 4.15Å; L42-Y553 HydrophobicContact CD1-CE2 3.65Å; L42-Y553 HydrophobicContact CG-CE2 4.23Å
43	S	58.7	Low	58.5	Low	33 Å²	33	116.9 Å²	116.9	23%	0.231	56%	0.56	C	S	.	*	H	α-helix	trans	-64.9	-37.1	173.4	-179.3	0	0	0	0	112.3	G39 L40 Y46 R47	G39-S43 VanDerWaalsContact O-CB 3.29Å; G39-S43 WeakPolarHBondContact O-CB 3.49Å; G39-S43 PolarHBondContact O-N 3.3Å; L40-S43 PolarHBondContact O-N 3.38Å; S43-Y46 PolarHBondContact O-N 3.1Å; S43-R47 PolarHBondContact O-N 2.92Å
44	Y	68.4	Low	56.9	Low	148 Å²	148	121.5 Å²	121.5	58%	0.58	58%	0.579	S	S	*	*	H	α-helix	trans	-64.7	-44.7	175.5	-179.2	-97.3	0	0	0	111.4	L40 L41 L42 Y46 R47 F48	L40-Y44 WeakPolarHBondContact O-CB 3.49Å; L40-Y44 PolarHBondContact O-N 3.32Å; L41-Y44 PolarHBondContact O-N 2.95Å; L42-Y44 VanDerWaalsContact C-N 3.34Å; Y44-Y46 VanDerWaalsContact C-N 3.33Å; Y44-Y46 PolarHBondContact O-N 3.01Å; Y44-R47 PolarHBondContact O-N 2.79Å; Y44-F48 HydrophobicContact CD2-CD2 4.46Å; Y44-F48 HydrophobicContact CE1-CD2 4.17Å; Y44-F48 HydrophobicContact CE1-CE2 4.44Å; Y44-F48 AromaticContact CE2-CD2 3.99Å; Y44-F48 HydrophobicContact CE2-CD2 3.99Å; Y44-F48 AromaticContact CE2-CE2 3.69Å; Y44-F48 HydrophobicContact CE2-CE2 3.69Å; Y44-F48 AromaticContact CZ-CD2 3.83Å; Y44-F48 AromaticContact CZ-CE2 3.65Å; Y44-F48 PolarHBondContact O-N 2.96Å
45	R	59.1	Low	54.4	Low	172 Å²	172	126.5 Å²	126.5	65%	0.649	60%	0.597	S	S	*	*	H	α-helix	trans	-64.4	-34.6	176.4	-78.6	-173.2	171.5	-179.1	-0.5	113.4	L41 L42	L41-R45 PolarHBondContact O-N 3.06Å; L41-R45 VanDerWaalsContact O-N 3.1Å; L42-R45 PolarHBondContact O-N 3.42Å
46	Y	53	Low	52.4	Low	154 Å²	154	129.2 Å²	129.2	60%	0.604	61%	0.611	S	S	*	*	H	α-helix	trans	-68.8	-42.3	178.3	-168.8	-104.1	0	0	0	112.1	L42 S43 Y44 F48 R49	L42-Y46 PolarHBondContact O-N 3.2Å; S43-Y46 PolarHBondContact O-N 3.1Å; Y44-Y46 VanDerWaalsContact C-N 3.33Å; Y44-Y46 PolarHBondContact O-N 3.01Å; Y46-F48 VanDerWaalsContact C-N 3.33Å; Y46-F48 PolarHBondContact O-N 3.49Å; Y46-R49 PolarHBondContact O-N 3.31Å
47	R	53.7	Low	50.4	Low	196 Å²	196	135.6 Å²	135.6	74%	0.74	64%	0.642	S	S	*	*	H	α-helix	trans	-65.7	-31.4	178.1	-74.1	-170	-164.7	-176	5	113.9	S43 Y44 R49	S43-R47 PolarHBondContact O-N 2.92Å; Y44-R47 PolarHBondContact O-N 2.79Å; R47-R49 VanDerWaalsContact C-N 3.28Å; R47-R49 PolarHBondContact O-N 2.79Å
48	F	53.4	Low	48.3	Very low	158 Å²	158	142.6 Å²	142.6	69%	0.693	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	0.2	178.4	-95.3	-83.3	0	0	0	114.2	Y44 Y46	Y44-F48 HydrophobicContact CD2-CD2 4.46Å; Y44-F48 HydrophobicContact CE1-CD2 4.17Å; Y44-F48 HydrophobicContact CE1-CE2 4.44Å; Y44-F48 AromaticContact CE2-CD2 3.99Å; Y44-F48 HydrophobicContact CE2-CD2 3.99Å; Y44-F48 AromaticContact CE2-CE2 3.69Å; Y44-F48 HydrophobicContact CE2-CE2 3.69Å; Y44-F48 AromaticContact CZ-CD2 3.83Å; Y44-F48 AromaticContact CZ-CE2 3.65Å; Y44-F48 PolarHBondContact O-N 2.96Å; Y46-F48 VanDerWaalsContact C-N 3.33Å; Y46-F48 PolarHBondContact O-N 3.49Å
49	R	41.2	Very low	46.2	Very low	227 Å²	227	142.9 Å²	142.9	86%	0.857	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125	29.3	-176.4	-129.5	-177.2	-171	-169	2	114.3	Y46 R47	Y46-R49 PolarHBondContact O-N 3.31Å; R47-R49 VanDerWaalsContact C-N 3.28Å; R47-R49 PolarHBondContact O-N 2.79Å
50	G	39.5	Very low	44.2	Very low	51 Å²	51	150.9 Å²	150.9	53%	0.526	71%	0.706	S	S	.	*	S	Bend	trans	-73.2	163.4	164.2	0	0	0	0	0	112.6	K52	G50-K52 PolarHBondContact O-N 2.86Å
51	P	36.2	Very low	42.7	Very low	137 Å²	137	155.7 Å²	155.7	89%	0.89	73%	0.731	S	S	*	*			trans	-66	134.1	-164.7	3.2	5.8	0	0	0	112.6	Q53	P51-Q53 PolarHBondContact O-N 3.29Å
52	K	33.8	Very low	41.3	Very low	206 Å²	206	154.5 Å²	154.5	90%	0.896	74%	0.743	S	S	*	*			trans	-63	113.7	176	-69.5	177.7	175.5	179	0	110.5	G50	G50-K52 PolarHBondContact O-N 2.86Å
53	Q	29.7	Very low	39.5	Very low	195 Å²	195	160.2 Å²	160.2	91%	0.911	77%	0.77	S	S	*	*			trans	-82.3	128.2	147.5	-89.3	179.5	-16.6	0	0	108.2	P51 Q55	P51-Q53 PolarHBondContact O-N 3.29Å; Q53-Q55 PolarHBondContact O-N 2.8Å
54	Q	31.7	Very low	38.2	Very low	193 Å²	193	167.3 Å²	167.3	90%	0.902	81%	0.805	S	S	*	*			trans	-65.3	118.4	176.6	-77.5	170.8	-32.8	0	0	110.5
55	Q	26.3	Very low	36.5	Very low	186 Å²	186	165 Å²	165	87%	0.869	81%	0.81	S	S	*	*			trans	-160.5	120.1	136.8	-118.1	166.3	-5.4	0	0	112	Q53	Q53-Q55 PolarHBondContact O-N 2.8Å
56	Q	27.9	Very low	35.2	Very low	190 Å²	190	164.4 Å²	164.4	89%	0.888	81%	0.814	S	S	*	*			trans	44.7	114.1	157.4	-75.7	175.6	-14.3	0	0	121.6
57	Q	27.9	Very low	34.3	Very low	189 Å²	189	163.9 Å²	163.9	88%	0.883	83%	0.827	S	S	*	*			trans	-56.8	130.3	167.1	-170.3	170.9	5.9	0	0	113.6
58	K	26.6	Very low	33.3	Very low	209 Å²	209	163.1 Å²	163.1	91%	0.909	84%	0.836	S	S	*	*			trans	-150.4	134.7	139	-104.9	174.8	-172.9	-179	0	109.8
59	S	30.6	Very low	32.3	Very low	96 Å²	96	160.6 Å²	160.6	67%	0.671	84%	0.838	S	S	*	*			trans	-56.4	148.2	-173.9	49.2	0	0	0	0	114.6
60	H	28.3	Very low	32	Very low	188 Å²	188	154.3 Å²	154.3	87%	0.87	84%	0.835	S	S	*	*				-162.5	108.8	127.3	-101.4	-71.3	0	0	0	110.9
61	L	33.7	Very low	31.6	Very low	182 Å²	182	160.3 Å²	160.3	95%	0.953	85%	0.854	S	S	*	*			trans	-78.7	112.6	164.7	-167.8	83.6	0	0	0	106.6
62	G	39.4	Very low	31.3	Very low	74 Å²	74	159.4 Å²	159.4	76%	0.763	85%	0.848	S	S	*	*			trans	156.3	63.8	178.5	0	0	0	0	0	114.5
63	M	31.6	Very low	31.1	Very low	180 Å²	180	157.5 Å²	157.5	89%	0.887	85%	0.847	S	S	*	*			trans	-161.3	51.3	164.2	-148.9	165.6	68.1	0	0	112.3
64	L	30.6	Very low	31.1	Very low	183 Å²	183	154.9 Å²	154.9	96%	0.958	84%	0.844	S	S	*	*	S	Bend	trans	-117.4	13.1	175	-88.9	170.4	0	0	0	113.9
65	S	32.6	Very low	30.8	Very low	98 Å²	98	148.7 Å²	148.7	69%	0.685	83%	0.832	S	S	*	*	S	Bend	trans	-119.6	15.3	-174.3	71.1	0	0	0	0	116.9
66	H	32.5	Very low	30.7	Very low	160 Å²	160	148.5 Å²	148.5	74%	0.741	83%	0.828	S	S	*	*	S	Bend	trans	-125.1	15.5	-175.9	-85.6	-64.9	0	0	0	116.9
67	V	34.1	Very low	30.6	Very low	143 Å²	143	147.7 Å²	147.7	87%	0.867	82%	0.822	S	S	*	*	S	Bend	trans	-111.5	2.5	-178.8	-177	0	0	0	0	113.5
68	L	32.3	Very low	30.5	Very low	181 Å²	181	150.8 Å²	150.8	95%	0.948	83%	0.826	S	S	*	*	S	Bend	trans	-105.5	15.2	-177.5	-77.9	169.4	0	0	0	115.6
69	S	32.3	Very low	30.4	Very low	105 Å²	105	144.8 Å²	144.8	73%	0.734	82%	0.816	S	S	*	*	S	Bend	trans	-125	33.5	-173.7	68	0	0	0	0	116.1
70	A	34	Very low	30	Very low	95 Å²	95	149.7 Å²	149.7	79%	0.785	83%	0.825	S	S	*	*			trans	-139.7	52.8	177.9	0	0	0	0	0	114
71	L	30.8	Very low	30.3	Very low	176 Å²	176	145.7 Å²	145.7	92%	0.921	82%	0.816	S	S	*	*			trans	-113.6	122.8	161.5	-75.2	169.5	0	0	0	108.6
72	P	31.3	Very low	29.9	Very low	118 Å²	118	143.3 Å²	143.3	77%	0.766	81%	0.809	S	S	*	*			trans	-100.6	124.8	-176.5	34.4	-26.3	0	0	0	111.2
73	L	30.2	Very low	29.8	Very low	166 Å²	166	145.9 Å²	145.9	87%	0.869	81%	0.812	S	S	*	*			trans	-154.4	107.6	158.3	-94.6	168.8	0	0	0	110
74	V	27.7	Very low	29.4	Very low	140 Å²	140	140.3 Å²	140.3	85%	0.848	80%	0.801	S	S	*	*			trans	20.9	132	143.7	-166.2	0	0	0	0	117.8
75	G	25.8	Very low	29.1	Very low	63 Å²	63	136.9 Å²	136.9	65%	0.649	79%	0.792	S	S	*	*			cis	166.6	-178.7	4.6	0	0	0	0	0	111.1
76	F	24.4	Very low	28.8	Very low	182 Å²	182	141.5 Å²	141.5	80%	0.798	80%	0.803	S	S	*	*			trans	76.9	132.8	153.4	-104.1	-93.5	0	0	0	121.7
77	F	25.3	Very low	28.4	Very low	173 Å²	173	142.7 Å²	142.7	76%	0.759	81%	0.808	S	S	*	*			trans	73.4	116.1	175.8	-53.2	-76.9	0	0	0	114.3
78	W	26.2	Very low	28.1	Very low	254 Å²	254	142.3 Å²	142.3	96%	0.962	81%	0.806	S	S	*	*			cis	-163.3	162.3	49.7	-128.4	-40.5	0	0	0	112.4
79	A	24.3	Very low	27.7	Very low	84 Å²	84	142.3 Å²	142.3	69%	0.694	80%	0.802	S	S	*	*			trans	-83.9	148.2	-174.6	0	0	0	0	0	114.2
80	K	22.7	Very low	27.4	Very low	199 Å²	199	146 Å²	146	87%	0.865	81%	0.807	S	S	*	*			trans	25.5	167.8	135.7	-72.7	-172.6	178.5	-179.2	0	120.8
81	P	34.1	Very low	27.1	Very low	104 Å²	104	147.3 Å²	147.3	68%	0.675	81%	0.807	S	S	*	*			cis	-136.8	167	-5.8	14.9	12.7	0	0	0	116.9
82	T	25.9	Very low	26.9	Very low	132 Å²	132	148.3 Å²	148.3	81%	0.81	80%	0.804	S	S	*	*			trans	6.2	176	144	33.7	0	0	0	0	123.2
83	P	36.4	Very low	26.6	Very low	127 Å²	127	147.9 Å²	147.9	83%	0.825	80%	0.804	S	S	*	*			cis	-143.4	-176.4	7	23.8	3.7	0	0	0	117.2
84	G	24.7	Very low	26.5	Very low	63 Å²	63	152.1 Å²	152.1	65%	0.649	81%	0.809	S	S	*	*			trans	145.1	85	150.6	0	0	0	0	0	114.1
85	S	24.4	Very low	26.5	Very low	111 Å²	111	155.6 Å²	155.6	78%	0.776	81%	0.812	S	S	*	*				67.6	112.6	93.7	70.5	0	0	0	0	116.1
86	Q	26.3	Very low	26.4	Very low	195 Å²	195	156.6 Å²	156.6	91%	0.911	82%	0.823	S	S	*	*				-178.6	128.9	118.8	-97.2	173.5	7.1	0	0	111.5
87	Q	23.9	Very low	26.5	Very low	185 Å²	185	157.6 Å²	157.6	86%	0.864	82%	0.822	S	S	*	*			trans	-82.3	149.4	166.6	-68.1	171.8	-38	0	0	109.7
88	V	26.4	Very low	26.4	Very low	135 Å²	135	161.5 Å²	161.5	82%	0.818	83%	0.831	S	S	*	*			trans	-152.7	117.6	137.1	179.9	0	0	0	0	110.8
89	E	25.3	Very low	26.4	Very low	182 Å²	182	155.5 Å²	155.5	85%	0.85	81%	0.814	S	S	*	*			trans	21.7	140.9	142.1	-59.3	179.6	145.9	0	0	124.8
90	Q	25.5	Very low	26.5	Very low	182 Å²	182	158.5 Å²	158.5	85%	0.85	82%	0.823	S	S	*	*			trans	-75.5	167	161	-69.5	-175.4	-10.1	0	0	113.1
91	P	28.1	Very low	26.6	Very low	122 Å²	122	155.1 Å²	155.1	79%	0.792	82%	0.815	S	S	*	*				-138.5	131	129.7	32.6	-16.3	0	0	0	116.5
92	K	26.4	Very low	26.3	Very low	197 Å²	197	159.3 Å²	159.3	86%	0.857	82%	0.823	S	S	*	*			trans	30.7	133.9	134.9	-66.3	-179.8	-179.8	173.8	0	123.8
93	S	25.2	Very low	26.4	Very low	110 Å²	110	156.7 Å²	156.7	77%	0.769	81%	0.81	S	S	*	*			trans	-38.5	153.6	160.4	64.4	0	0	0	0	119.8
94	R	27	Very low	26	Very low	254 Å²	254	158.3 Å²	158.3	96%	0.958	81%	0.812	S	S	*	*			trans	-124.5	134.6	152.4	-102.9	-178.7	174.9	178.7	-1.1	111.6
95	K	27.6	Very low	26.1	Very low	213 Å²	213	162.2 Å²	162.2	93%	0.926	82%	0.817	S	S	*	*			trans	-72.9	152.9	179.6	-80.3	171.7	167	175	0	113.2
96	G	24.5	Very low	26.2	Very low	85 Å²	85	165.6 Å²	165.6	88%	0.876	82%	0.82	S	S	*	*			trans	-148.2	117.7	153.6	0	0	0	0	0	109.4
97	R	25.4	Very low	26.3	Very low	202 Å²	202	164 Å²	164	76%	0.762	82%	0.815	S	S	*	*			trans	-101.9	142.9	-168.2	-163.2	-174.8	-171.9	170.5	-0.5	109.4	E99	R97-E99 IonicContact CZ-OE1 3.84Å; R97-E99 VanDerWaalsContact CZ-OE1 3.28Å; R97-E99 IonicContact NE-OE1 3.6Å; R97-E99 PolarHBondContact NE-OE1 3.36Å; R97-E99 VanDerWaalsContact NE-OE1 3.14Å; R97-E99 IonicContact NH2-OE1 3.2Å; R97-E99 PolarHBondContact NH2-OE1 2.56Å
98	R	24.6	Very low	26.5	Very low	255 Å²	255	161.1 Å²	161.1	96%	0.962	81%	0.809	S	S	*	*			trans	-149	113	148.7	-120.7	178.2	-177.8	176.1	0.2	109.4
99	E	25	Very low	26.7	Very low	128 Å²	128	163.6 Å²	163.6	60%	0.598	81%	0.812	S	S	*	*			trans	-82.5	145.6	172.7	-78.9	162.4	175.5	0	0	110.3	R97	R97-E99 IonicContact CZ-OE1 3.84Å; R97-E99 VanDerWaalsContact CZ-OE1 3.28Å; R97-E99 IonicContact NE-OE1 3.6Å; R97-E99 PolarHBondContact NE-OE1 3.36Å; R97-E99 VanDerWaalsContact NE-OE1 3.14Å; R97-E99 IonicContact NH2-OE1 3.2Å; R97-E99 PolarHBondContact NH2-OE1 2.56Å
100	V	27.4	Very low	26.9	Very low	147 Å²	147	162 Å²	162	89%	0.891	82%	0.815	S	S	*	*			trans	-145.8	123.2	134.1	-177	0	0	0	0	108.1
101	N	24.5	Very low	27.3	Very low	129 Å²	129	157 Å²	157	69%	0.69	81%	0.805	S	S	*	*			trans	-86.4	146	168.4	-85	-24.7	0	0	0	109.7
102	F	27.6	Very low	27.7	Very low	191 Å²	191	156.7 Å²	156.7	84%	0.838	80%	0.803	S	S	*	*				-176.2	155.8	94.8	-116.8	-90.9	0	0	0	111.6
103	S	27.1	Very low	28	Very low	77 Å²	77	154.7 Å²	154.7	54%	0.538	80%	0.802	S	S	.	*			trans	-63.5	155.9	-170.4	49	0	0	0	0	116.5
104	D	28.6	Very low	28.5	Very low	162 Å²	162	154.8 Å²	154.8	87%	0.866	80%	0.797	S	S	*	*				-160.1	137.6	112.2	-92.4	-20.5	0	0	0	112.6
105	L	27.5	Very low	29	Very low	145 Å²	145	149.1 Å²	149.1	76%	0.759	79%	0.792	S	S	*	*			trans	-76.9	134	175.4	-90.5	117.2	0	0	0	110.1
106	H	27.3	Very low	29.8	Very low	181 Å²	181	146.3 Å²	146.3	84%	0.838	79%	0.786	S	S	*	*			trans	-139.4	118.4	145.2	-113.5	-80.1	0	0	0	109.2
107	M	27.6	Very low	31	Very low	163 Å²	163	145.2 Å²	145.2	80%	0.803	76%	0.764	S	S	*	*			trans	-78.1	124.7	167.4	-68.9	-138.5	74.4	0	0	109
108	T	28.7	Very low	32.4	Very low	123 Å²	123	139.2 Å²	139.2	76%	0.755	75%	0.752	S	S	*	*			trans	-155.7	115.9	154	30.7	0	0	0	0	109.3
109	E	29.6	Very low	34	Very low	188 Å²	188	135.9 Å²	135.9	88%	0.879	75%	0.747	S	S	*	*			trans	37.7	109.7	151.2	-69.1	175.7	157.9	0	0	119.7	A111	E109-A111 PolarHBondContact O-N 2.77Å; E109-A111 VanDerWaalsContact O-N 3.08Å
110	T	30.5	Very low	36.2	Very low	149 Å²	149	134 Å²	134	91%	0.914	74%	0.735	S	S	*	*			trans	-61.3	97.2	161.3	41.9	0	0	0	0	111.4
111	A	33.5	Very low	38.5	Very low	77 Å²	77	132 Å²	132	64%	0.636	72%	0.72	S	S	*	*			trans	-80.3	141.9	153	0	0	0	0	0	108.8	E109 N113	E109-A111 PolarHBondContact O-N 2.77Å; E109-A111 VanDerWaalsContact O-N 3.08Å; A111-N113 PolarHBondContact O-N 3.09Å
112	P	36.1	Very low	41.9	Very low	114 Å²	114	126 Å²	126	74%	0.74	69%	0.687	S	S	*	*			trans	-66.9	112.5	173.9	27.1	-29.9	0	0	0	108.4	T114	P112-T114 PolarHBondContact O-N 3Å
113	N	33.7	Very low	45.2	Very low	156 Å²	156	119.2 Å²	119.2	83%	0.834	66%	0.658	S	S	*	*			trans	-59.4	89.1	164.3	-83.6	-15.1	0	0	0	108.4	A111 T115	A111-N113 PolarHBondContact O-N 3.09Å; N113-T115 VanDerWaalsContact C-N 3.33Å; N113-T115 PolarHBondContact O-N 3.07Å
114	T	35.4	Very low	48.6	Very low	111 Å²	111	115.5 Å²	115.5	68%	0.681	63%	0.633	S	S	*	*			trans	-77.5	97.3	157	-43.6	0	0	0	0	104.2	P112 L116	P112-T114 PolarHBondContact O-N 3Å; T114-L116 PolarHBondContact O-N 2.95Å
115	T	36.3	Very low	52	Low	136 Å²	136	107.8 Å²	107.8	83%	0.834	59%	0.591	S	S	*	*			trans	-61.3	89.2	168.5	-9.6	0	0	0	0	106.5	N113 S117	N113-T115 VanDerWaalsContact C-N 3.33Å; N113-T115 PolarHBondContact O-N 3.07Å; T115-S117 PolarHBondContact O-N 3.3Å
116	L	44.2	Very low	55.4	Low	154 Å²	154	100.9 Å²	100.9	81%	0.806	56%	0.555	S	S	*	*			trans	-62.5	109	169	-78.4	157	0	0	0	105.7	T114	T114-L116 PolarHBondContact O-N 2.95Å
117	S	49.9	Very low	58.8	Low	61 Å²	61	92.6 Å²	92.6	43%	0.427	52%	0.517	S	S	.	.			trans	-49.3	133.6	164.7	31.4	0	0	0	0	107.5	T115 Q119	T115-S117 PolarHBondContact O-N 3.3Å; S117-Q119 PolarHBondContact O-N 3.47Å
118	P	54.5	Low	62.2	Low	77 Å²	77	85.1 Å²	85.1	50%	0.5	48%	0.482	S	S	.	.			trans	-58.4	108.5	178.3	21.7	-30.1	0	0	0	107.8	Y120 Y440	P118-Y120 VanDerWaalsContact C-N 3.34Å; P118-Y120 HydrophobicContact CB-CE1 4.21Å; P118-Y120 HydrophobicContact CG-CE1 4.4Å; P118-Y120 HydrophobicContact CG-CE2 4.09Å; P118-Y120 PolarHBondContact O-N 3.09Å; P118-Y440 PolarHBondContact O-OH 3.36Å
119	Q	59.8	Low	65.5	Low	185 Å²	185	79.3 Å²	79.3	86%	0.864	45%	0.446	S	S	*	.			trans	-66.7	97.5	172.9	-99.2	179.9	-8.5	0	0	107.2	S117	S117-Q119 PolarHBondContact O-N 3.47Å
120	Y	69.9	Low	68.7	Low	88 Å²	88	71.6 Å²	71.6	35%	0.345	42%	0.418	S	S	.	.			trans	-70.3	137.9	174.1	-65.8	-59.3	0	0	0	109.6	P118 P122 H275 Y440	P118-Y120 VanDerWaalsContact C-N 3.34Å; P118-Y120 HydrophobicContact CB-CE1 4.21Å; P118-Y120 HydrophobicContact CG-CE1 4.4Å; P118-Y120 HydrophobicContact CG-CE2 4.09Å; P118-Y120 PolarHBondContact O-N 3.09Å; Y120-P122 CarbonylContact O-C 3.59Å; Y120-H275 WeakPolarHBondContact CB-O 3.37Å; Y120-H275 HydrophobicContact CD1-CB 3.63Å; Y120-H275 HydrophobicContact CD2-CB 3.81Å; Y120-H275 HydrophobicContact CE1-CB 3.73Å; Y120-H275 HydrophobicContact CE2-CB 3.94Å; Y120-H275 HydrophobicContact CG-CB 3.7Å; Y120-Y440 HydrophobicContact CD2-CE1 4.44Å; Y120-Y440 WeakPolarHBondContact CD2-OH 3.41Å; Y120-Y440 PolarHBondContact N-OH 2.84Å
121	D	75.9	Confident	72	Confident	105 Å²	105	65.3 Å²	65.3	56%	0.561	38%	0.379	S	S	*	.	S	Bend	trans	-108.3	105.8	166	-163.8	-19.2	0	0	0	106.3	K146	D121-K146 WeakPolarHBondContact OD1-CD 3.44Å; D121-K146 IonicContact OD2-NZ 2.65Å; D121-K146 PolarHBondContact OD2-NZ 2.84Å
122	P	96.1	Very high	75.1	Confident	2 Å²	2	62 Å²	62	1%	0.013	35%	0.351	C	S	.	.			cis	-93.2	167.9	22.6	38.5	-40.9	0	0	0	116.2	Y120 I125 K146 T148 L274 A276	Y120-P122 CarbonylContact O-C 3.59Å; P122-I125 HydrophobicContact CG-CD1 4.43Å; P122-I125 HydrophobicContact CG-CG1 3.67Å; P122-K146 WeakPolarHBondContact CB-O 3.19Å; P122-T148 WeakPolarHBondContact CB-OG1 3.28Å; P122-T148 WeakPolarHBondContact CG-OG1 3.4Å; P122-L274 HydrophobicContact CG-CD2 4.16Å; P122-L274 HydrophobicContact CG-CG 4.39Å; P122-A276 HydrophobicContact CG-CB 4.32Å; P122-A276 VanDerWaalsContact O-CB 3.26Å; P122-A276 WeakPolarHBondContact O-CB 3.34Å
123	E	97.6	Very high	78	Confident	49 Å²	49	56.6 Å²	56.6	23%	0.229	32%	0.315	C	S	.	.	S	Bend	trans	-74.1	-34.4	167.2	-71.3	173.7	81.1	0	0	112.2	R145 K146 P277 L278 L439	E123-R145 WeakPolarHBondContact OE1-CD 3.48Å; E123-R145 IonicContact OE1-CZ 3.36Å; E123-R145 IonicContact OE1-NH1 3.9Å; E123-R145 PolarHBondContact OE1-NH1 3.04Å; E123-R145 WeakPolarHBondContact OE2-CA 3.44Å; E123-K146 HydrophobicContact CG-CB 4.43Å; E123-K146 PolarHBondContact N-O 3.06Å; E123-K146 PolarHBondContact OE2-N 2.9Å; E123-P277 VanDerWaalsContact O-CD 3.27Å; E123-P277 WeakPolarHBondContact O-CD 3.22Å; E123-P277 VanDerWaalsContact O-CG 3.28Å; E123-P277 WeakPolarHBondContact O-CG 3.49Å; E123-L278 PolarHBondContact O-N 3.5Å; E123-L439 HydrophobicContact CB-CD1 4.32Å
124	I	98.6	Very high	81.1	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	128.4	-177.2	-54.6	178.3	0	0	0	110.4	I126 L140 R145 K146 V147 T148 L278 V280 L439	I124-I126 HydrophobicContact CG2-CG1 4.06Å; I124-L140 HydrophobicContact CD1-CD1 3.64Å; I124-R145 HydrophobicContact CD1-CB 4.23Å; I124-R145 HydrophobicContact CD1-CG 4.18Å; I124-K146 PolarHBondContact N-O 2.75Å; I124-K146 VanDerWaalsContact N-O 3.09Å; I124-V147 HydrophobicContact CB-CG2 4.4Å; I124-V147 WeakPolarHBondContact O-CA 3.4Å; I124-T148 PolarHBondContact O-N 2.91Å; I124-L278 WeakPolarHBondContact CA-O 3.41Å; I124-L278 HydrophobicContact CG1-CB 4.45Å; I124-V280 HydrophobicContact CG2-CG2 4Å; I124-L439 HydrophobicContact CD1-CD1 3.79Å; I124-L439 HydrophobicContact CG1-CD1 3.51Å
125	I	98.9	Very high	84.2	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.9	169	-64.3	166.8	0	0	0	108.9	P122 V127 T148 I150 V261 L274 A276 L278 T279 V280	P122-I125 HydrophobicContact CG-CD1 4.43Å; P122-I125 HydrophobicContact CG-CG1 3.67Å; I125-V127 HydrophobicContact CG2-CG2 4.47Å; I125-T148 CarbonylContact C-O 3.52Å; I125-T148 WeakPolarHBondContact CA-O 3.28Å; I125-I150 HydrophobicContact CG2-CD1 4.39Å; I125-V261 HydrophobicContact CD1-CG2 4.24Å; I125-V261 HydrophobicContact CG2-CG1 4.08Å; I125-V261 HydrophobicContact CG2-CG2 3.86Å; I125-L274 HydrophobicContact CD1-CB 3.98Å; I125-L274 HydrophobicContact CD1-CD2 3.89Å; I125-L274 HydrophobicContact CD1-CG 3.69Å; I125-L274 VanDerWaalsContact CD1-O 3.26Å; I125-L274 WeakPolarHBondContact CD1-O 3.26Å; I125-L274 HydrophobicContact CG1-CD2 3.91Å; I125-L274 HydrophobicContact CG1-CG 4.21Å; I125-A276 HydrophobicContact CB-CB 4.43Å; I125-A276 HydrophobicContact CD1-CB 3.59Å; I125-A276 HydrophobicContact CG1-CB 3.6Å; I125-L278 PolarHBondContact N-O 3.15Å; I125-T279 CarbonylContact O-C 3.37Å; I125-T279 WeakPolarHBondContact O-CA 3.37Å; I125-V280 PolarHBondContact O-N 2.71Å
126	I	98.9	Very high	87.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.1	174.5	-58.3	-178.8	0	0	0	109.4	I124 L136 A137 V147 T148 V149 I150 V280 A282	I124-I126 HydrophobicContact CG2-CG1 4.06Å; I126-L136 HydrophobicContact CD1-CB 4.23Å; I126-L136 HydrophobicContact CD1-CD2 4.14Å; I126-L136 HydrophobicContact CD1-CG 4.16Å; I126-A137 HydrophobicContact CD1-CB 3.96Å; I126-V147 HydrophobicContact CD1-CG1 3.59Å; I126-V147 HydrophobicContact CG1-CG1 3.92Å; I126-T148 PolarHBondContact N-O 2.83Å; I126-V149 HydrophobicContact CB-CG1 4.39Å; I126-V149 HydrophobicContact CB-CG2 4.22Å; I126-V149 HydrophobicContact CD1-CG2 4.49Å; I126-V149 HydrophobicContact CG2-CG1 4.41Å; I126-V149 WeakPolarHBondContact O-CA 3.36Å; I126-I150 PolarHBondContact O-N 2.62Å; I126-V280 WeakPolarHBondContact CA-O 3.46Å; I126-V280 HydrophobicContact CG1-CB 4.26Å; I126-A282 HydrophobicContact CG2-CB 4.4Å
127	V	98.8	Very high	89.7	Confident	6 Å²	6	30.1 Å²	30.1	4%	0.036	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	105.3	177.9	-176.2	0	0	0	0	109.6	I125 V248 V261 T279 V280 A282 D283 F289	I125-V127 HydrophobicContact CG2-CG2 4.47Å; V127-V248 HydrophobicContact CB-CG2 4.36Å; V127-V248 HydrophobicContact CG1-CB 3.79Å; V127-V248 HydrophobicContact CG1-CG1 4.25Å; V127-V248 HydrophobicContact CG1-CG2 3.66Å; V127-V248 HydrophobicContact CG2-CG1 4.37Å; V127-V248 HydrophobicContact CG2-CG2 4.06Å; V127-V261 HydrophobicContact CG2-CG1 3.99Å; V127-T279 HydrophobicContact CG2-CG2 4.1Å; V127-V280 PolarHBondContact N-O 3.24Å; V127-A282 CarbonylContact O-C 3.08Å; V127-A282 VanDerWaalsContact O-CA 3.24Å; V127-A282 WeakPolarHBondContact O-CA 3.48Å; V127-A282 WeakPolarHBondContact O-CB 3.41Å; V127-A282 PolarHBondContact O-N 3.09Å; V127-D283 HydrophobicContact CG1-CB 4.46Å; V127-D283 PolarHBondContact O-N 3.02Å; V127-F289 HydrophobicContact CG1-CE2 4Å
128	G	98.6	Very high	92.1	Very high	7 Å²	7	27.2 Å²	27.2	7%	0.072	15%	0.145	C	C	.	.			trans	98.5	129.3	-179.5	0	0	0	0	0	113.2	G133 I150 E151	G128-G133 WeakPolarHBondContact O-CA 3.48Å; G128-I150 WeakPolarHBondContact CA-O 3.33Å; G128-I150 PolarHBondContact N-O 2.94Å; G128-E151 WeakPolarHBondContact CA-OE2 3.26Å
129	S	98.3	Very high	94.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.			trans	-108.4	54.6	179.4	-174.3	0	0	0	0	110.8	S134 E151 R232 F243	S129-S134 VanDerWaalsContact C-OG 3.31Å; S129-S134 PolarHBondContact O-OG 3.36Å; S129-S134 PolarHBondContact OG-OG 3Å; S129-E151 PolarHBondContact N-OE2 3.49Å; S129-R232 PolarHBondContact O-NE 2.85Å; S129-R232 PolarHBondContact O-NH2 3.05Å; S129-R232 VanDerWaalsContact OG-CG 3.28Å; S129-R232 WeakPolarHBondContact OG-CG 3.47Å; S129-R232 PolarHBondContact OG-NE 2.79Å; S129-F243 WeakPolarHBondContact OG-CE1 3.49Å
130	G	97.9	Very high	96	Very high	27 Å²	27	14.9 Å²	14.9	28%	0.278	8%	0.081	S	C	.	.	S	Bend	trans	-83.3	-155.3	167.8	0	0	0	0	0	112	L132 S134	G130-L132 VanDerWaalsContact C-N 3.34Å; G130-L132 PolarHBondContact O-N 3.23Å; G130-S134 VanDerWaalsContact O-CB 3.28Å; G130-S134 WeakPolarHBondContact O-CB 3.33Å; G130-S134 PolarHBondContact O-N 2.85Å; G130-S134 VanDerWaalsContact O-N 3.11Å; G130-S134 PolarHBondContact O-OG 2.66Å
131	V	98.4	Very high	97.4	Very high	17 Å²	17	10.8 Å²	10.8	10%	0.103	7%	0.065	C	C	.	.	H	α-helix	trans	-57.5	-48.1	175.6	-177.5	0	0	0	0	110.6	S135 F227 I228 L231 M419 V422	V131-S135 VanDerWaalsContact O-CB 3.28Å; V131-S135 WeakPolarHBondContact O-CB 3.36Å; V131-S135 PolarHBondContact O-N 3.32Å; V131-S135 PolarHBondContact O-OG 3.33Å; V131-F227 HydrophobicContact CG1-CE1 4.22Å; V131-F227 HydrophobicContact CG2-CE1 4.29Å; V131-I228 HydrophobicContact CB-CD1 4.41Å; V131-I228 HydrophobicContact CG2-CD1 3.58Å; V131-L231 HydrophobicContact CG1-CD1 4.27Å; V131-M419 HydrophobicContact CG1-CB 4.46Å; V131-M419 HydrophobicContact CG1-CG 4.35Å; V131-M419 HydrophobicContact CG2-CG 4.12Å; V131-M419 HydrophobicContact CG2-SD 3.91Å; V131-V422 HydrophobicContact CB-CG1 4.3Å; V131-V422 HydrophobicContact CG1-CG1 3.86Å
132	L	98.6	Very high	98.5	Very high	7 Å²	7	10.3 Å²	10.3	4%	0.037	6%	0.055	C	C	.	.	H	α-helix	trans	-67.3	-56.4	-177.8	-173.3	134	0	0	0	111.9	G130 S134 S135 L136 V280 A282 L404 V422 V426	G130-L132 VanDerWaalsContact C-N 3.34Å; G130-L132 PolarHBondContact O-N 3.23Å; L132-S134 VanDerWaalsContact C-N 3.35Å; L132-S134 PolarHBondContact O-N 3.05Å; L132-S135 PolarHBondContact O-N 3.4Å; L132-L136 HydrophobicContact CD2-CD2 4.36Å; L132-L136 WeakPolarHBondContact O-CB 3.45Å; L132-L136 PolarHBondContact O-N 3.29Å; L132-V280 HydrophobicContact CD2-CG1 4.33Å; L132-A282 HydrophobicContact CB-CB 4.44Å; L132-A282 HydrophobicContact CD2-CB 3.39Å; L132-L404 HydrophobicContact CD1-CB 3.42Å; L132-L404 VanDerWaalsContact CD1-CB 3.42Å; L132-L404 HydrophobicContact CD1-CD1 4.44Å; L132-L404 HydrophobicContact CD2-CB 3.79Å; L132-L404 HydrophobicContact CD2-CD1 4.35Å; L132-L404 HydrophobicContact CG-CB 4.29Å; L132-V422 VanDerWaalsContact CA-CG1 3.47Å; L132-V422 HydrophobicContact CB-CG1 3.56Å; L132-V422 HydrophobicContact CB-CG2 4.41Å; L132-V422 HydrophobicContact CD1-CG1 3.99Å; L132-V422 HydrophobicContact CD1-CG2 4.3Å; L132-V422 HydrophobicContact CG-CG1 4.09Å; L132-V426 HydrophobicContact CD1-CG2 4.46Å; L132-V426 HydrophobicContact CG-CG2 4.22Å
133	G	98.6	Very high	98.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-63	-40.6	-172.7	0	0	0	0	0	113.1	G128 A137	G128-G133 WeakPolarHBondContact O-CA 3.48Å; G133-A137 WeakPolarHBondContact O-CB 3.25Å; G133-A137 PolarHBondContact O-N 3.39Å
134	S	98.8	Very high	98.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-70.2	-43	179.6	-45	0	0	0	0	111.7	S129 G130 L132 A138 A235	S129-S134 VanDerWaalsContact C-OG 3.31Å; S129-S134 PolarHBondContact O-OG 3.36Å; S129-S134 PolarHBondContact OG-OG 3Å; G130-S134 VanDerWaalsContact O-CB 3.28Å; G130-S134 WeakPolarHBondContact O-CB 3.33Å; G130-S134 PolarHBondContact O-N 2.85Å; G130-S134 VanDerWaalsContact O-N 3.11Å; G130-S134 PolarHBondContact O-OG 2.66Å; L132-S134 VanDerWaalsContact C-N 3.35Å; L132-S134 PolarHBondContact O-N 3.05Å; S134-A138 PolarHBondContact O-N 3.45Å; S134-A138 VanDerWaalsContact O-N 3.09Å; S134-A235 WeakPolarHBondContact O-CB 3.3Å
135	S	98.8	Very high	98.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65.8	-42.1	177.5	-51.9	0	0	0	0	111.6	V131 L132 V139	V131-S135 VanDerWaalsContact O-CB 3.28Å; V131-S135 WeakPolarHBondContact O-CB 3.36Å; V131-S135 PolarHBondContact O-N 3.32Å; V131-S135 PolarHBondContact O-OG 3.33Å; L132-S135 PolarHBondContact O-N 3.4Å; S135-V139 WeakPolarHBondContact O-CG2 3.5Å; S135-V139 PolarHBondContact O-N 3.2Å
136	L	98.9	Very high	98.5	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-66.7	-43.1	178.9	-172	65.7	0	0	0	111.4	I126 L132 A138 V139 L140 V280 L404 V426	I126-L136 HydrophobicContact CD1-CB 4.23Å; I126-L136 HydrophobicContact CD1-CD2 4.14Å; I126-L136 HydrophobicContact CD1-CG 4.16Å; L132-L136 HydrophobicContact CD2-CD2 4.36Å; L132-L136 WeakPolarHBondContact O-CB 3.45Å; L132-L136 PolarHBondContact O-N 3.29Å; L136-A138 PolarHBondContact O-N 3.31Å; L136-V139 PolarHBondContact O-N 3.26Å; L136-L140 HydrophobicContact CD1-CD1 3.67Å; L136-L140 HydrophobicContact CD1-CD2 4.34Å; L136-L140 HydrophobicContact CD1-CG 3.82Å; L136-L140 HydrophobicContact CD2-CD1 4.25Å; L136-L140 HydrophobicContact CG-CD1 3.65Å; L136-L140 HydrophobicContact CG-CG 4.09Å; L136-L140 WeakPolarHBondContact O-CB 3.27Å; L136-L140 VanDerWaalsContact O-CG 3.28Å; L136-L140 WeakPolarHBondContact O-CG 3.47Å; L136-L140 PolarHBondContact O-N 3.01Å; L136-V280 HydrophobicContact CD2-CB 4.41Å; L136-V280 HydrophobicContact CD2-CG1 3.86Å; L136-V280 HydrophobicContact CD2-CG2 4.21Å; L136-L404 HydrophobicContact CD2-CD1 4.43Å; L136-V426 HydrophobicContact CB-CG2 4.22Å; L136-V426 HydrophobicContact CD1-CG1 4.03Å; L136-V426 HydrophobicContact CD1-CG2 4.36Å
137	A	98.9	Very high	98.5	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-57.1	-51.1	175.6	0	0	0	0	0	111.2	I126 G133 V139 L140 S141 V147 V149 A235 F243	I126-A137 HydrophobicContact CD1-CB 3.96Å; G133-A137 WeakPolarHBondContact O-CB 3.25Å; G133-A137 PolarHBondContact O-N 3.39Å; A137-V139 PolarHBondContact O-N 2.9Å; A137-L140 PolarHBondContact O-N 2.81Å; A137-S141 VanDerWaalsContact O-CB 3.24Å; A137-S141 WeakPolarHBondContact O-CB 3.46Å; A137-S141 PolarHBondContact O-N 2.76Å; A137-S141 PolarHBondContact O-OG 3.25Å; A137-S141 VanDerWaalsContact O-OG 3.04Å; A137-V147 HydrophobicContact CB-CG1 4.17Å; A137-V149 HydrophobicContact CB-CG2 3.53Å; A137-A235 HydrophobicContact CB-CB 4.16Å; A137-F243 HydrophobicContact CB-CZ 4.38Å
138	A	98.8	Very high	98.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-55.5	-50.8	179.7	0	0	0	0	0	112	S134 L136 R142 L178 A235	S134-A138 PolarHBondContact O-N 3.45Å; S134-A138 VanDerWaalsContact O-N 3.09Å; L136-A138 PolarHBondContact O-N 3.31Å; A138-R142 VanDerWaalsContact O-CG 3.26Å; A138-R142 WeakPolarHBondContact O-CG 3.2Å; A138-R142 PolarHBondContact O-N 2.92Å; A138-R142 VanDerWaalsContact O-N 3.1Å; A138-L178 HydrophobicContact CB-CD2 3.96Å; A138-A235 HydrophobicContact CB-CB 3.89Å
139	V	98.8	Very high	98.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-75	-34.6	-174.1	-58.1	0	0	0	0	113.8	S135 L136 A137 D143 L176 L178 V426 R430	S135-V139 WeakPolarHBondContact O-CG2 3.5Å; S135-V139 PolarHBondContact O-N 3.2Å; L136-V139 PolarHBondContact O-N 3.26Å; A137-V139 PolarHBondContact O-N 2.9Å; V139-D143 PolarHBondContact O-N 2.83Å; V139-D143 VanDerWaalsContact O-N 3.11Å; V139-L176 HydrophobicContact CG1-CB 4Å; V139-L176 HydrophobicContact CG1-CD2 3.96Å; V139-L176 HydrophobicContact CG1-CG 4.49Å; V139-L176 HydrophobicContact CG2-CD2 4.44Å; V139-L178 HydrophobicContact CG1-CD1 4.17Å; V139-V426 HydrophobicContact CG2-CG1 3.83Å; V139-R430 HydrophobicContact CB-CG 4.43Å; V139-R430 HydrophobicContact CG2-CB 4.32Å; V139-R430 HydrophobicContact CG2-CG 4.19Å
140	L	98.7	Very high	98.5	Very high	3 Å²	3	17.9 Å²	17.9	2%	0.016	10%	0.1	C	C	.	.	H	α-helix	trans	-72.5	-36.2	176.9	-65.1	-175.3	0	0	0	111.5	I124 L136 A137 D143 G144 R145 V147 L433	I124-L140 HydrophobicContact CD1-CD1 3.64Å; L136-L140 HydrophobicContact CD1-CD1 3.67Å; L136-L140 HydrophobicContact CD1-CD2 4.34Å; L136-L140 HydrophobicContact CD1-CG 3.82Å; L136-L140 HydrophobicContact CD2-CD1 4.25Å; L136-L140 HydrophobicContact CG-CD1 3.65Å; L136-L140 HydrophobicContact CG-CG 4.09Å; L136-L140 WeakPolarHBondContact O-CB 3.27Å; L136-L140 VanDerWaalsContact O-CG 3.28Å; L136-L140 WeakPolarHBondContact O-CG 3.47Å; L136-L140 PolarHBondContact O-N 3.01Å; A137-L140 PolarHBondContact O-N 2.81Å; L140-D143 CarbonylContact O-C 3.5Å; L140-D143 PolarHBondContact O-N 2.89Å; L140-G144 PolarHBondContact O-N 3.47Å; L140-R145 HydrophobicContact CB-CB 4.27Å; L140-R145 HydrophobicContact CB-CG 4.36Å; L140-R145 WeakPolarHBondContact O-CB 3.22Å; L140-R145 PolarHBondContact O-N 3.16Å; L140-V147 HydrophobicContact CB-CG2 4.01Å; L140-L433 HydrophobicContact CD1-CD1 3.93Å; L140-L433 HydrophobicContact CD2-CB 4.42Å; L140-L433 HydrophobicContact CD2-CD1 3.99Å
141	S	98.6	Very high	98.6	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.007	9%	0.091	C	C	.	.	H	α-helix	trans	-65.5	-38.5	174.2	-67.1	0	0	0	0	112.5	A137 D143 G144 R145 V147 N240 A241	A137-S141 VanDerWaalsContact O-CB 3.24Å; A137-S141 WeakPolarHBondContact O-CB 3.46Å; A137-S141 PolarHBondContact O-N 2.76Å; A137-S141 PolarHBondContact O-OG 3.25Å; A137-S141 VanDerWaalsContact O-OG 3.04Å; S141-D143 VanDerWaalsContact C-N 3.28Å; S141-D143 PolarHBondContact O-N 2.96Å; S141-G144 PolarHBondContact O-N 3.39Å; S141-G144 VanDerWaalsContact O-N 3.09Å; S141-R145 WeakPolarHBondContact CA-O 3.49Å; S141-V147 WeakPolarHBondContact OG-CG2 3.32Å; S141-N240 PolarHBondContact O-ND2 3.24Å; S141-N240 VanDerWaalsContact O-ND2 3.14Å; S141-N240 PolarHBondContact OG-O 2.74Å; S141-A241 WeakPolarHBondContact OG-CB 3.29Å
142	R	98.3	Very high	98.5	Very high	95 Å²	95	23.9 Å²	23.9	36%	0.358	11%	0.113	S	C	.	.	H	α-helix	trans	-61.5	-35.5	170.8	-75	172.5	-172.1	175.9	1.4	113.1	A138 G144 G177 E238	A138-R142 VanDerWaalsContact O-CG 3.26Å; A138-R142 WeakPolarHBondContact O-CG 3.2Å; A138-R142 PolarHBondContact O-N 2.92Å; A138-R142 VanDerWaalsContact O-N 3.1Å; R142-G144 PolarHBondContact O-N 3.24Å; R142-G177 PolarHBondContact NH1-O 2.89Å; R142-E238 HydrophobicContact CG-CG 4.24Å; R142-E238 WeakPolarHBondContact CG-OE1 3.47Å; R142-E238 WeakPolarHBondContact CG-OE2 3.41Å; R142-E238 IonicContact CZ-OE1 2.76Å; R142-E238 VanDerWaalsContact CZ-OE1 3.3Å; R142-E238 IonicContact NE-OE1 2.68Å; R142-E238 PolarHBondContact NE-OE1 2.9Å; R142-E238 IonicContact NE-OE2 2.66Å; R142-E238 IonicContact NH2-OE1 2.78Å; R142-E238 PolarHBondContact NH2-OE1 3.02Å
143	D	98.1	Very high	98.5	Very high	49 Å²	49	26.5 Å²	26.5	26%	0.262	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	6	177.2	-66.6	-9.7	0	0	0	112.5	V139 L140 S141 R430 Q434	V139-D143 PolarHBondContact O-N 2.83Å; V139-D143 VanDerWaalsContact O-N 3.11Å; L140-D143 CarbonylContact O-C 3.5Å; L140-D143 PolarHBondContact O-N 2.89Å; S141-D143 VanDerWaalsContact C-N 3.28Å; S141-D143 PolarHBondContact O-N 2.96Å; D143-R430 IonicContact OD1-CZ 2.95Å; D143-R430 IonicContact OD1-NE 3.93Å; D143-R430 PolarHBondContact OD1-NE 3.37Å; D143-R430 IonicContact OD1-NH2 3.85Å; D143-R430 PolarHBondContact OD1-NH2 2.79Å; D143-R430 WeakPolarHBondContact OD2-CG 3.19Å; D143-R430 IonicContact OD2-CZ 3.75Å; D143-R430 IonicContact OD2-NE 2.56Å; D143-R430 PolarHBondContact OD2-NE 3.36Å; D143-R430 IonicContact OD2-NH2 3.36Å; D143-Q434 VanDerWaalsContact CG-NE2 3.29Å; D143-Q434 PolarHBondContact OD1-NE2 2.92Å; D143-Q434 PolarHBondContact OD2-NE2 3.43Å
144	G	97.4	Very high	98.5	Very high	44 Å²	44	28.1 Å²	28.1	45%	0.454	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	0.1	172.4	0	0	0	0	0	115.5	L140 S141 R142	L140-G144 PolarHBondContact O-N 3.47Å; S141-G144 PolarHBondContact O-N 3.39Å; S141-G144 VanDerWaalsContact O-N 3.09Å; R142-G144 PolarHBondContact O-N 3.24Å
145	R	97.9	Very high	98.5	Very high	25 Å²	25	35.1 Å²	35.1	9%	0.094	17%	0.166	C	C	.	.			trans	-76.3	137.2	-179.7	-59.5	-61.5	-176.2	172	-1.4	112	E123 I124 L140 S141 V147 N240 L433 I436 P437	E123-R145 WeakPolarHBondContact OE1-CD 3.48Å; E123-R145 IonicContact OE1-CZ 3.36Å; E123-R145 IonicContact OE1-NH1 3.9Å; E123-R145 PolarHBondContact OE1-NH1 3.04Å; E123-R145 WeakPolarHBondContact OE2-CA 3.44Å; I124-R145 HydrophobicContact CD1-CB 4.23Å; I124-R145 HydrophobicContact CD1-CG 4.18Å; L140-R145 HydrophobicContact CB-CB 4.27Å; L140-R145 HydrophobicContact CB-CG 4.36Å; L140-R145 WeakPolarHBondContact O-CB 3.22Å; L140-R145 PolarHBondContact O-N 3.16Å; S141-R145 WeakPolarHBondContact CA-O 3.49Å; R145-V147 HydrophobicContact CB-CG2 4.05Å; R145-V147 PolarHBondContact O-N 2.88Å; R145-N240 VanDerWaalsContact O-CB 3.24Å; R145-N240 WeakPolarHBondContact O-CB 3.33Å; R145-L433 PolarHBondContact NH2-O 3.09Å; R145-I436 PolarHBondContact NH2-O 3.21Å; R145-P437 PolarHBondContact NH1-O 3.01Å
146	K	98.3	Very high	98.4	Very high	93 Å²	93	40.3 Å²	40.3	40%	0.404	19%	0.19	S	C	.	.			trans	-76	109.2	166.7	-64.9	-172.7	179.8	-177	0	110.3	D121 P122 E123 I124	D121-K146 WeakPolarHBondContact OD1-CD 3.44Å; D121-K146 IonicContact OD2-NZ 2.65Å; D121-K146 PolarHBondContact OD2-NZ 2.84Å; P122-K146 WeakPolarHBondContact CB-O 3.19Å; E123-K146 HydrophobicContact CG-CB 4.43Å; E123-K146 PolarHBondContact N-O 3.06Å; E123-K146 PolarHBondContact OE2-N 2.9Å; I124-K146 PolarHBondContact N-O 2.75Å; I124-K146 VanDerWaalsContact N-O 3.09Å
147	V	98.8	Very high	98.3	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.1	-175.3	-176.6	0	0	0	0	110.1	I124 I126 A137 L140 S141 R145 V149 N240 A241 K242	I124-V147 HydrophobicContact CB-CG2 4.4Å; I124-V147 WeakPolarHBondContact O-CA 3.4Å; I126-V147 HydrophobicContact CD1-CG1 3.59Å; I126-V147 HydrophobicContact CG1-CG1 3.92Å; A137-V147 HydrophobicContact CB-CG1 4.17Å; L140-V147 HydrophobicContact CB-CG2 4.01Å; S141-V147 WeakPolarHBondContact OG-CG2 3.32Å; R145-V147 HydrophobicContact CB-CG2 4.05Å; R145-V147 PolarHBondContact O-N 2.88Å; V147-V149 HydrophobicContact CG1-CG2 4.15Å; V147-N240 PolarHBondContact N-O 3.46Å; V147-A241 WeakPolarHBondContact O-CA 3.36Å; V147-K242 PolarHBondContact O-N 2.91Å
148	T	98.9	Very high	98.1	Very high	8 Å²	8	46.5 Å²	46.5	5%	0.049	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126.4	165.1	-60.7	0	0	0	0	110.6	P122 I124 I125 I126 I150 K242 I244 L274	P122-T148 WeakPolarHBondContact CB-OG1 3.28Å; P122-T148 WeakPolarHBondContact CG-OG1 3.4Å; I124-T148 PolarHBondContact O-N 2.91Å; I125-T148 CarbonylContact C-O 3.52Å; I125-T148 WeakPolarHBondContact CA-O 3.28Å; I126-T148 PolarHBondContact N-O 2.83Å; T148-I150 HydrophobicContact CG2-CG1 4.49Å; T148-K242 CarbonylContact C-O 3.51Å; T148-K242 VanDerWaalsContact CA-O 3.3Å; T148-K242 WeakPolarHBondContact CA-O 3.43Å; T148-K242 HydrophobicContact CG2-CB 4.45Å; T148-I244 HydrophobicContact CG2-CD1 3.61Å; T148-I244 HydrophobicContact CG2-CG1 4.01Å; T148-L274 HydrophobicContact CG2-CD2 3.73Å
149	V	98.9	Very high	97.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	131	176.6	-171.3	0	0	0	0	109.3	I126 A137 V147 K242 F243 I244	I126-V149 HydrophobicContact CB-CG1 4.39Å; I126-V149 HydrophobicContact CB-CG2 4.22Å; I126-V149 HydrophobicContact CD1-CG2 4.49Å; I126-V149 HydrophobicContact CG2-CG1 4.41Å; I126-V149 WeakPolarHBondContact O-CA 3.36Å; A137-V149 HydrophobicContact CB-CG2 3.53Å; V147-V149 HydrophobicContact CG1-CG2 4.15Å; V149-K242 PolarHBondContact N-O 3.43Å; V149-F243 HydrophobicContact CB-CD1 3.81Å; V149-F243 HydrophobicContact CB-CE1 3.72Å; V149-F243 HydrophobicContact CB-CG 4.26Å; V149-F243 HydrophobicContact CB-CZ 4.09Å; V149-F243 HydrophobicContact CG1-CD1 4.1Å; V149-F243 HydrophobicContact CG1-CE1 3.81Å; V149-F243 HydrophobicContact CG1-CZ 4.47Å; V149-F243 HydrophobicContact CG2-CD1 4.37Å; V149-F243 HydrophobicContact CG2-CE1 3.89Å; V149-F243 HydrophobicContact CG2-CE2 4.11Å; V149-F243 HydrophobicContact CG2-CZ 3.73Å; V149-F243 WeakPolarHBondContact O-CA 3.41Å; V149-I244 PolarHBondContact O-N 2.9Å
150	I	98.8	Very high	97.3	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118.3	174.8	-53.5	178.4	0	0	0	108.9	I125 I126 G128 T148 I244 G246 V248 V261 Y263 L274	I125-I150 HydrophobicContact CG2-CD1 4.39Å; I126-I150 PolarHBondContact O-N 2.62Å; G128-I150 WeakPolarHBondContact CA-O 3.33Å; G128-I150 PolarHBondContact N-O 2.94Å; T148-I150 HydrophobicContact CG2-CG1 4.49Å; I150-I244 WeakPolarHBondContact CA-O 3.21Å; I150-I244 HydrophobicContact CG1-CB 4.34Å; I150-G246 WeakPolarHBondContact CG2-O 3.25Å; I150-V248 HydrophobicContact CB-CG2 3.88Å; I150-V248 HydrophobicContact CD1-CG2 4.07Å; I150-V248 HydrophobicContact CG2-CG2 3.68Å; I150-V261 HydrophobicContact CD1-CG2 3.69Å; I150-Y263 HydrophobicContact CD1-CD1 3.72Å; I150-Y263 HydrophobicContact CD1-CD2 4.43Å; I150-Y263 HydrophobicContact CD1-CE1 4.18Å; I150-Y263 HydrophobicContact CD1-CG 3.85Å; I150-Y263 HydrophobicContact CG2-CD2 4.38Å; I150-Y263 HydrophobicContact CG2-CG 4.43Å; I150-L274 HydrophobicContact CD1-CD2 4.41Å
151	E	98.7	Very high	96.7	Very high	19 Å²	19	53 Å²	53	9%	0.089	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.5	-179.8	170.8	56.4	-134	0	0	111.2	G128 S129 D153 L154 R232 I244 E245 G246	G128-E151 WeakPolarHBondContact CA-OE2 3.26Å; S129-E151 PolarHBondContact N-OE2 3.49Å; E151-D153 VanDerWaalsContact C-N 3.31Å; E151-D153 WeakPolarHBondContact CG-O 3.45Å; E151-D153 PolarHBondContact O-N 2.88Å; E151-D153 PolarHBondContact OE1-N 3.2Å; E151-L154 HydrophobicContact CB-CD2 3.81Å; E151-L154 HydrophobicContact CB-CG 4.4Å; E151-L154 HydrophobicContact CG-CD2 3.93Å; E151-L154 HydrophobicContact CG-CG 4.44Å; E151-R232 IonicContact OE1-NH2 2.79Å; E151-R232 IonicContact OE2-NH2 3.27Å; E151-I244 PolarHBondContact N-O 3.05Å; E151-E245 CarbonylContact O-C 3.53Å; E151-E245 VanDerWaalsContact O-CA 3.31Å; E151-E245 WeakPolarHBondContact O-CA 3.43Å; E151-G246 CarbonylContact C-O 3.47Å; E151-G246 PolarHBondContact O-N 2.84Å; E151-G246 VanDerWaalsContact O-O 3.12Å
152	R	97.9	Very high	96.4	Very high	151 Å²	151	54.1 Å²	54.1	57%	0.57	27%	0.266	S	S	*	.	S	Bend	trans	-66	-33	-177.4	59	166.4	-167.3	147.1	10.2	113.4	G246 K266	R152-G246 VanDerWaalsContact CA-O 3.28Å; R152-G246 WeakPolarHBondContact CA-O 3.36Å; R152-G246 PolarHBondContact N-O 3.04Å; R152-G246 VanDerWaalsContact N-O 3.16Å; R152-K266 PolarHBondContact O-NZ 3.11Å
153	D	98.1	Very high	96.4	Very high	62 Å²	62	49.9 Å²	49.9	33%	0.332	25%	0.25	S	C	.	.			trans	-147.2	109.7	179.8	-163.2	-4.4	0	0	0	110.8	E151 K155 R232 E245 K266	E151-D153 VanDerWaalsContact C-N 3.31Å; E151-D153 WeakPolarHBondContact CG-O 3.45Å; E151-D153 PolarHBondContact O-N 2.88Å; E151-D153 PolarHBondContact OE1-N 3.2Å; D153-K155 VanDerWaalsContact C-N 3.26Å; D153-K155 VanDerWaalsContact OD1-CB 3.32Å; D153-K155 WeakPolarHBondContact OD1-CB 3.02Å; D153-K155 WeakPolarHBondContact OD1-CG 3.11Å; D153-K155 PolarHBondContact OD1-N 2.88Å; D153-K155 VanDerWaalsContact OD1-N 3.14Å; D153-R232 PolarHBondContact O-NH1 3.09Å; D153-R232 PolarHBondContact O-NH2 3.5Å; D153-E245 WeakPolarHBondContact CA-OE1 3.41Å; D153-K266 IonicContact OD1-NZ 2.69Å; D153-K266 PolarHBondContact OD1-NZ 3.17Å
154	L	98.1	Very high	96.3	Very high	33 Å²	33	48.1 Å²	48.1	17%	0.173	24%	0.24	C	C	.	.			trans	-81.4	-6.2	179.3	-73.3	176.2	0	0	0	112.7	E151 M229 R232 M236 F243 E245	E151-L154 HydrophobicContact CB-CD2 3.81Å; E151-L154 HydrophobicContact CB-CG 4.4Å; E151-L154 HydrophobicContact CG-CD2 3.93Å; E151-L154 HydrophobicContact CG-CG 4.44Å; L154-M229 VanDerWaalsContact O-CE 3.22Å; L154-M229 WeakPolarHBondContact O-CE 3.5Å; L154-M229 VanDerWaalsContact O-SD 3.33Å; L154-R232 PolarHBondContact O-NH1 3.39Å; L154-M236 HydrophobicContact CD1-CE 3.95Å; L154-M236 HydrophobicContact CD2-CE 3.79Å; L154-M236 HydrophobicContact CG-CE 4.41Å; L154-F243 HydrophobicContact CD1-CB 4.47Å; L154-F243 HydrophobicContact CD2-CD1 4.05Å; L154-E245 HydrophobicContact CB-CG 4.32Å; L154-E245 HydrophobicContact CD1-CB 3.92Å; L154-E245 HydrophobicContact CD1-CG 4.18Å; L154-E245 HydrophobicContact CG-CB 4.27Å; L154-E245 HydrophobicContact CG-CG 3.99Å; L154-E245 PolarHBondContact N-OE1 2.78Å
155	K	98.2	Very high	96.4	Very high	148 Å²	148	46 Å²	46	64%	0.643	22%	0.219	S	C	*	.	S	Bend	trans	-70	165.4	172.4	-61.5	-178.7	-178.6	-178	0	112	D153 P157 R232	D153-K155 VanDerWaalsContact C-N 3.26Å; D153-K155 VanDerWaalsContact OD1-CB 3.32Å; D153-K155 WeakPolarHBondContact OD1-CB 3.02Å; D153-K155 WeakPolarHBondContact OD1-CG 3.11Å; D153-K155 PolarHBondContact OD1-N 2.88Å; D153-K155 VanDerWaalsContact OD1-N 3.14Å; K155-P157 WeakPolarHBondContact O-CD 3.39Å; K155-R232 PolarHBondContact O-NH1 3.37Å
156	E	98.1	Very high	96.4	Very high	108 Å²	108	44.9 Å²	44.9	51%	0.505	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-58.9	120.7	-179.9	-174.7	172.2	165.7	0	0	111.5	Q226 M229	E156-Q226 WeakPolarHBondContact OE1-CG 3.24Å; E156-Q226 PolarHBondContact OE1-N 3.4Å; E156-M229 HydrophobicContact CB-CG 3.78Å; E156-M229 HydrophobicContact CB-SD 4.35Å; E156-M229 HydrophobicContact CG-CG 3.97Å
157	P	96.3	Very high	96.4	Very high	23 Å²	23	40.5 Å²	40.5	15%	0.149	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-79	129.1	178.9	29.4	-32.1	0	0	0	111.5	K155 R159 G225 I228	K155-P157 WeakPolarHBondContact O-CD 3.39Å; P157-R159 HydrophobicContact CB-CG 4.45Å; P157-G225 WeakPolarHBondContact O-CA 3.25Å; P157-G225 PolarHBondContact O-N 3.19Å; P157-I228 HydrophobicContact CG-CB 3.79Å; P157-I228 HydrophobicContact CG-CG1 3.91Å; P157-I228 HydrophobicContact CG-CG2 3.83Å
158	D	93.7	Very high	96.3	Very high	110 Å²	110	40.7 Å²	40.7	59%	0.588	20%	0.198	S	C	*	.			trans	-98.7	97.7	177.1	179.1	6.1	0	0	0	110.7	R384	D158-R384 PolarHBondContact O-NH1 2.89Å; D158-R384 VanDerWaalsContact O-NH1 3.11Å; D158-R384 IonicContact OD1-CZ 3.9Å; D158-R384 IonicContact OD1-NH1 2.66Å; D158-R384 PolarHBondContact OD1-NH1 3.16Å; D158-R384 IonicContact OD1-NH2 2.79Å; D158-R384 PolarHBondContact OD1-NH2 2.87Å; D158-R384 IonicContact OD2-CZ 3.3Å; D158-R384 IonicContact OD2-NH1 3.18Å; D158-R384 PolarHBondContact OD2-NH1 2.9Å; D158-R384 IonicContact OD2-NH2 2.95Å; D158-R384 PolarHBondContact OD2-NH2 2.87Å
159	R	91.8	Very high	96.3	Very high	96 Å²	96	40.3 Å²	40.3	36%	0.362	20%	0.195	S	C	.	.			trans	-137.3	156.3	-174	-58.4	-173.3	-176.6	-155.1	5.4	111.4	P157	P157-R159 HydrophobicContact CB-CG 4.45Å
160	I	90.9	Very high	96.3	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	20%	0.201	C	C	.	.	S	Bend	trans	-99.7	6.8	178.8	67	177.6	0	0	0	114.2	L343 R384 M386	I160-L343 HydrophobicContact CB-CD2 4.46Å; I160-L343 HydrophobicContact CD1-CD2 4.38Å; I160-R384 HydrophobicContact CD1-CB 3.87Å; I160-R384 WeakPolarHBondContact CD1-O 3.45Å; I160-R384 HydrophobicContact CG2-CB 3.69Å; I160-R384 HydrophobicContact CG2-CG 4.21Å; I160-M386 HydrophobicContact CD1-CB 4.16Å; I160-M386 HydrophobicContact CD1-CG 3.81Å; I160-M386 HydrophobicContact CG1-CB 4.3Å; I160-M386 HydrophobicContact CG1-CG 3.63Å
161	V	84.7	Confident	96.2	Very high	39 Å²	39	43.7 Å²	43.7	24%	0.236	21%	0.213	C	C	.	.	S	Bend	trans	-122.9	153.1	-177	-66.4	0	0	0	0	109.7	H224 M386	V161-H224 VanDerWaalsContact O-CG 3.25Å; V161-H224 PolarHBondContact O-ND1 3.25Å; V161-M386 HydrophobicContact CG1-CB 4.02Å; V161-M386 HydrophobicContact CG1-CG 4.03Å; V161-M386 HydrophobicContact CG2-CE 4.18Å
162	G	92.4	Very high	96.2	Very high	25 Å²	25	42.9 Å²	42.9	26%	0.258	21%	0.209	S	C	.	.	S	Bend	trans	75.5	35.8	-179.4	0	0	0	0	0	113.3	H224 M419	G162-H224 PolarHBondContact O-ND1 3.41Å; G162-M419 WeakPolarHBondContact O-CE 3.25Å
163	E	97.7	Very high	96.2	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.028	18%	0.182	C	C	.	.			trans	-105.8	-2.8	-178.3	-69.1	-177.3	145.4	0	0	113.3	S221 F222 H224 Y333 I335 R341	E163-S221 CarbonylContact O-C 3.53Å; E163-S221 WeakPolarHBondContact O-CA 3.49Å; E163-S221 VanDerWaalsContact O-CB 3.27Å; E163-S221 WeakPolarHBondContact O-CB 3.21Å; E163-F222 VanDerWaalsContact CA-O 3.31Å; E163-F222 WeakPolarHBondContact CA-O 3.39Å; E163-F222 WeakPolarHBondContact CB-O 3.48Å; E163-F222 WeakPolarHBondContact CG-O 3.35Å; E163-F222 PolarHBondContact O-N 3.37Å; E163-H224 HydrophobicContact CG-CB 3.9Å; E163-Y333 HydrophobicContact CB-CE2 3.78Å; E163-I335 HydrophobicContact CB-CG2 4.03Å; E163-R341 IonicContact OE1-CZ 2.63Å; E163-R341 IonicContact OE1-NE 3.58Å; E163-R341 IonicContact OE1-NH2 3.99Å; E163-R341 PolarHBondContact OE1-NH2 2.9Å; E163-R341 WeakPolarHBondContact OE2-CG 3.4Å; E163-R341 IonicContact OE2-CZ 3.32Å; E163-R341 IonicContact OE2-NE 3.9Å; E163-R341 PolarHBondContact OE2-NE 3.45Å; E163-R341 IonicContact OE2-NH2 3.55Å; E163-R341 PolarHBondContact OE2-NH2 2.86Å
164	L	97.8	Very high	96.2	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.063	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	119.7	175.1	-169.7	158.5	0	0	0	109.5	Q166 Y193 A320 Y333 M419	L164-Q166 HydrophobicContact CD2-CG 4.48Å; L164-Y193 HydrophobicContact CD1-CE1 4.4Å; L164-Y193 WeakPolarHBondContact CD2-OH 3.19Å; L164-A320 HydrophobicContact CD1-CB 4.41Å; L164-Y333 HydrophobicContact CB-CD2 4.41Å; L164-Y333 HydrophobicContact CB-CE2 4.3Å; L164-Y333 HydrophobicContact CD1-CD1 4.1Å; L164-Y333 HydrophobicContact CD1-CD2 4.37Å; L164-Y333 HydrophobicContact CD1-CG 3.94Å; L164-M419 VanDerWaalsContact O-CE 3.3Å; L164-M419 WeakPolarHBondContact O-CE 3.4Å
165	L	98.4	Very high	96.2	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	114.6	175.9	-176.3	62.1	0	0	0	109.6	F170 L173 G219 R220 F222 M419 L423	L165-F170 HydrophobicContact CD2-CB 4.01Å; L165-F170 HydrophobicContact CD2-CD2 4.2Å; L165-F170 HydrophobicContact CG-CB 4.28Å; L165-L173 HydrophobicContact CD2-CD2 4.17Å; L165-G219 VanDerWaalsContact O-CA 3.25Å; L165-G219 WeakPolarHBondContact O-CA 3.23Å; L165-R220 PolarHBondContact N-O 3.25Å; L165-R220 PolarHBondContact O-N 2.88Å; L165-F222 HydrophobicContact CB-CE1 3.97Å; L165-F222 HydrophobicContact CB-CZ 4Å; L165-M419 HydrophobicContact CB-CE 4.01Å; L165-M419 HydrophobicContact CD1-CB 3.82Å; L165-M419 HydrophobicContact CD1-CE 4.29Å; L165-L423 HydrophobicContact CD1-CD1 3.84Å; L165-L423 HydrophobicContact CD2-CD1 4.45Å
166	Q	98.3	Very high	96.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.			trans	-61.8	153.4	177.3	-65.7	-67.4	-10.9	0	0	111.3	L164 G168 G169 F170 Y193 Y208 T415 S420 V509	L164-Q166 HydrophobicContact CD2-CG 4.48Å; Q166-G168 VanDerWaalsContact C-N 3.32Å; Q166-G168 PolarHBondContact O-N 3.34Å; Q166-G169 WeakPolarHBondContact O-CA 3.46Å; Q166-G169 PolarHBondContact O-N 3.4Å; Q166-F170 PolarHBondContact O-N 3.12Å; Q166-Y193 PolarHBondContact NE2-OH 2.84Å; Q166-Y208 PolarHBondContact OE1-OH 3.08Å; Q166-T415 PolarHBondContact NE2-O 3.4Å; Q166-S420 WeakPolarHBondContact CB-OG 3.33Å; Q166-V509 HydrophobicContact CB-CG2 4.47Å
167	P	98.3	Very high	96.2	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-50.1	-44.4	-179.9	-29	33	0	0	0	114.9	G169 F170 N171 Y208 A217 L510	P167-G169 VanDerWaalsContact C-N 3.28Å; P167-G169 PolarHBondContact O-N 3.21Å; P167-F170 PolarHBondContact O-N 2.96Å; P167-F170 VanDerWaalsContact O-N 3.15Å; P167-N171 PolarHBondContact O-N 3.4Å; P167-Y208 HydrophobicContact CG-CD1 3.81Å; P167-Y208 HydrophobicContact CG-CD2 3.85Å; P167-Y208 HydrophobicContact CG-CE1 3.71Å; P167-Y208 HydrophobicContact CG-CE2 3.78Å; P167-Y208 HydrophobicContact CG-CG 3.88Å; P167-A217 HydrophobicContact CB-CB 4.49Å; P167-A217 WeakPolarHBondContact CB-O 3.49Å; P167-A217 WeakPolarHBondContact CG-O 3.34Å; P167-L510 HydrophobicContact CB-CD1 3.89Å; P167-L510 HydrophobicContact CB-CD2 3.94Å; P167-L510 HydrophobicContact CB-CG 3.93Å
168	G	97.6	Very high	96.4	Very high	7 Å²	7	30.1 Å²	30.1	7%	0.072	16%	0.163	C	C	.	.	H	α-helix	trans	-66.2	-29	177.3	0	0	0	0	0	113.5	Q166 A172 S508	Q166-G168 VanDerWaalsContact C-N 3.32Å; Q166-G168 PolarHBondContact O-N 3.34Å; G168-A172 WeakPolarHBondContact O-CB 3.26Å; G168-A172 PolarHBondContact O-N 3.38Å; G168-A172 VanDerWaalsContact O-N 3.1Å; G168-S508 WeakPolarHBondContact CA-O 3.49Å; G168-S508 PolarHBondContact N-O 2.85Å
169	G	98.1	Very high	96.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-71.9	-40.1	170.4	0	0	0	0	0	112.1	Q166 P167 A172 L173 S420 L423	Q166-G169 WeakPolarHBondContact O-CA 3.46Å; Q166-G169 PolarHBondContact O-N 3.4Å; P167-G169 VanDerWaalsContact C-N 3.28Å; P167-G169 PolarHBondContact O-N 3.21Å; G169-A172 WeakPolarHBondContact O-CB 3.16Å; G169-A172 PolarHBondContact O-N 2.9Å; G169-L173 PolarHBondContact O-N 2.8Å; G169-S420 WeakPolarHBondContact CA-OG 3.26Å; G169-L423 WeakPolarHBondContact O-CD1 3.22Å
170	F	98.2	Very high	96.8	Very high	27 Å²	27	28 Å²	28	12%	0.118	16%	0.156	C	C	.	.	H	α-helix	trans	-66.2	-39.7	175.3	-175.6	-121.9	0	0	0	112.1	L165 Q166 P167 A172 L173 R174 V182 R220	L165-F170 HydrophobicContact CD2-CB 4.01Å; L165-F170 HydrophobicContact CD2-CD2 4.2Å; L165-F170 HydrophobicContact CG-CB 4.28Å; Q166-F170 PolarHBondContact O-N 3.12Å; P167-F170 PolarHBondContact O-N 2.96Å; P167-F170 VanDerWaalsContact O-N 3.15Å; F170-A172 VanDerWaalsContact C-N 3.34Å; F170-A172 PolarHBondContact O-N 2.88Å; F170-L173 HydrophobicContact CD2-CD2 4.26Å; F170-L173 WeakPolarHBondContact O-CB 3.28Å; F170-L173 PolarHBondContact O-N 3.22Å; F170-R174 PolarHBondContact O-N 3.47Å; F170-V182 HydrophobicContact CD2-CG2 4.24Å; F170-V182 HydrophobicContact CE2-CG2 3.48Å; F170-V182 VanDerWaalsContact CE2-CG2 3.48Å; F170-V182 HydrophobicContact CZ-CG2 4.27Å; F170-R220 HydrophobicContact CD2-CG 4.11Å; F170-R220 HydrophobicContact CE2-CG 4.23Å; F170-R220 HydrophobicContact CG-CG 4.32Å
171	N	97.6	Very high	97.1	Very high	47 Å²	47	28 Å²	28	25%	0.251	16%	0.156	S	C	.	.	H	α-helix	trans	-59.6	-44.5	170.3	-75.5	-9.3	0	0	0	111.5	P167 L173 R174 D175 L510	P167-N171 PolarHBondContact O-N 3.4Å; N171-L173 VanDerWaalsContact C-N 3.3Å; N171-L173 PolarHBondContact O-N 3.08Å; N171-R174 PolarHBondContact O-N 2.95Å; N171-R174 PolarHBondContact OD1-NH2 2.88Å; N171-D175 PolarHBondContact O-N 2.63Å; N171-L510 WeakPolarHBondContact ND2-CD2 3.4Å
172	A	98.3	Very high	97.7	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-62.1	-38.6	175.9	0	0	0	0	0	112.3	G168 G169 F170 D175 L176 L423 K427	G168-A172 WeakPolarHBondContact O-CB 3.26Å; G168-A172 PolarHBondContact O-N 3.38Å; G168-A172 VanDerWaalsContact O-N 3.1Å; G169-A172 WeakPolarHBondContact O-CB 3.16Å; G169-A172 PolarHBondContact O-N 2.9Å; F170-A172 VanDerWaalsContact C-N 3.34Å; F170-A172 PolarHBondContact O-N 2.88Å; A172-D175 PolarHBondContact O-N 3.37Å; A172-L176 WeakPolarHBondContact O-CD1 3.43Å; A172-L176 WeakPolarHBondContact O-CG 3.36Å; A172-L176 PolarHBondContact O-N 3.43Å; A172-L176 VanDerWaalsContact O-N 3.08Å; A172-L423 HydrophobicContact CB-CB 3.86Å; A172-K427 HydrophobicContact CB-CD 3.69Å
173	L	98.3	Very high	97.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.4	-42.8	174.7	-166.5	71.4	0	0	0	111.9	L165 G169 F170 N171 L176 G177 L178 V182 F227 L231 L423	L165-L173 HydrophobicContact CD2-CD2 4.17Å; G169-L173 PolarHBondContact O-N 2.8Å; F170-L173 HydrophobicContact CD2-CD2 4.26Å; F170-L173 WeakPolarHBondContact O-CB 3.28Å; F170-L173 PolarHBondContact O-N 3.22Å; N171-L173 VanDerWaalsContact C-N 3.3Å; N171-L173 PolarHBondContact O-N 3.08Å; L173-L176 PolarHBondContact O-N 3.44Å; L173-G177 PolarHBondContact O-N 3.1Å; L173-L178 HydrophobicContact CD1-CB 3.61Å; L173-L178 HydrophobicContact CD1-CD1 4.37Å; L173-L178 HydrophobicContact CG-CB 3.93Å; L173-L178 WeakPolarHBondContact CG-O 3.28Å; L173-L178 PolarHBondContact O-N 3.1Å; L173-V182 HydrophobicContact CD2-CG1 3.89Å; L173-F227 HydrophobicContact CD1-CZ 4.35Å; L173-F227 HydrophobicContact CD2-CE2 4.11Å; L173-F227 HydrophobicContact CD2-CZ 4.32Å; L173-L231 HydrophobicContact CD1-CD2 4.23Å; L173-L423 HydrophobicContact CB-CD1 4.14Å; L173-L423 HydrophobicContact CD1-CD1 4.12Å; L173-L423 HydrophobicContact CD1-CD2 3.76Å
174	R	97.9	Very high	97.7	Very high	121 Å²	121	38 Å²	38	46%	0.457	20%	0.199	S	C	.	.	H	α-helix	trans	-64	-45.4	174.9	179.2	175.4	65.1	-169.8	-3.2	112.2	F170 N171 L176 G177 E179	F170-R174 PolarHBondContact O-N 3.47Å; N171-R174 PolarHBondContact O-N 2.95Å; N171-R174 PolarHBondContact OD1-NH2 2.88Å; R174-L176 PolarHBondContact O-N 3.36Å; R174-G177 WeakPolarHBondContact O-CA 3.35Å; R174-G177 PolarHBondContact O-N 2.82Å; R174-E179 HydrophobicContact CB-CB 4.2Å; R174-E179 WeakPolarHBondContact CD-OE2 3.45Å; R174-E179 HydrophobicContact CG-CB 4.49Å; R174-E179 VanDerWaalsContact CG-OE2 3.28Å; R174-E179 WeakPolarHBondContact CG-OE2 3.41Å
175	D	98.2	Very high	97.7	Very high	87 Å²	87	38.2 Å²	38.2	47%	0.465	20%	0.2	S	C	.	.	H	α-helix	trans	-63.6	-25.3	178.5	-61.7	-16.7	0	0	0	112.4	N171 A172 G177 K427	N171-D175 PolarHBondContact O-N 2.63Å; A172-D175 PolarHBondContact O-N 3.37Å; D175-G177 VanDerWaalsContact C-N 3.28Å; D175-K427 HydrophobicContact CB-CD 4.1Å; D175-K427 IonicContact OD2-NZ 2.66Å; D175-K427 PolarHBondContact OD2-NZ 3.36Å
176	L	98.6	Very high	97.6	Very high	4 Å²	4	41 Å²	41	2%	0.021	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-4.5	172.7	-68.7	169.4	0	0	0	113.2	V139 A172 L173 R174 L178 L423 V426 K427	V139-L176 HydrophobicContact CG1-CB 4Å; V139-L176 HydrophobicContact CG1-CD2 3.96Å; V139-L176 HydrophobicContact CG1-CG 4.49Å; V139-L176 HydrophobicContact CG2-CD2 4.44Å; A172-L176 WeakPolarHBondContact O-CD1 3.43Å; A172-L176 WeakPolarHBondContact O-CG 3.36Å; A172-L176 PolarHBondContact O-N 3.43Å; A172-L176 VanDerWaalsContact O-N 3.08Å; L173-L176 PolarHBondContact O-N 3.44Å; R174-L176 PolarHBondContact O-N 3.36Å; L176-L178 HydrophobicContact CB-CD1 4.15Å; L176-L178 HydrophobicContact CB-CG 4.28Å; L176-L423 HydrophobicContact CD1-CB 4.49Å; L176-L423 HydrophobicContact CD1-CD2 4.1Å; L176-V426 HydrophobicContact CD1-CB 4.24Å; L176-V426 HydrophobicContact CD1-CG1 3.85Å; L176-V426 HydrophobicContact CD2-CG1 3.94Å; L176-K427 HydrophobicContact CD1-CG 4.08Å; L176-K427 HydrophobicContact CD2-CB 4.4Å; L176-K427 HydrophobicContact CD2-CG 3.58Å; L176-K427 HydrophobicContact CG-CD 4.49Å; L176-K427 HydrophobicContact CG-CG 3.67Å
177	G	98.4	Very high	97.6	Very high	43 Å²	43	42.2 Å²	42.2	44%	0.443	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	32.9	-175.1	0	0	0	0	0	112.8	R142 L173 R174 D175	R142-G177 PolarHBondContact NH1-O 2.89Å; L173-G177 PolarHBondContact O-N 3.1Å; R174-G177 WeakPolarHBondContact O-CA 3.35Å; R174-G177 PolarHBondContact O-N 2.82Å; D175-G177 VanDerWaalsContact C-N 3.28Å
178	L	98.6	Very high	97.6	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.016	23%	0.234	C	C	.	.			trans	-119.3	13.4	-177.3	-65.9	174.2	0	0	0	112.6	A138 V139 L173 L176 D180 T181 L231 A234	A138-L178 HydrophobicContact CB-CD2 3.96Å; V139-L178 HydrophobicContact CG1-CD1 4.17Å; L173-L178 HydrophobicContact CD1-CB 3.61Å; L173-L178 HydrophobicContact CD1-CD1 4.37Å; L173-L178 HydrophobicContact CG-CB 3.93Å; L173-L178 WeakPolarHBondContact CG-O 3.28Å; L173-L178 PolarHBondContact O-N 3.1Å; L176-L178 HydrophobicContact CB-CD1 4.15Å; L176-L178 HydrophobicContact CB-CG 4.28Å; L178-D180 PolarHBondContact O-N 2.75Å; L178-T181 HydrophobicContact CB-CG2 4.39Å; L178-T181 HydrophobicContact CD2-CG2 4.42Å; L178-T181 WeakPolarHBondContact O-CB 3.06Å; L178-T181 WeakPolarHBondContact O-CG2 3.45Å; L178-T181 PolarHBondContact O-N 2.68Å; L178-T181 PolarHBondContact O-OG1 3.23Å; L178-L231 HydrophobicContact CD1-CD2 4.38Å; L178-A234 HydrophobicContact CD2-CB 4.17Å
179	E	97.1	Very high	97.6	Very high	63 Å²	63	47.1 Å²	47.1	29%	0.294	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-60	-29.6	-178.5	57.8	161.4	-130.3	0	0	114	R174 T181 V182 K183	R174-E179 HydrophobicContact CB-CB 4.2Å; R174-E179 WeakPolarHBondContact CD-OE2 3.45Å; R174-E179 HydrophobicContact CG-CB 4.49Å; R174-E179 VanDerWaalsContact CG-OE2 3.28Å; R174-E179 WeakPolarHBondContact CG-OE2 3.41Å; E179-T181 PolarHBondContact O-N 2.57Å; E179-T181 VanDerWaalsContact O-N 3.11Å; E179-V182 VanDerWaalsContact O-CG2 3.22Å; E179-V182 WeakPolarHBondContact O-CG2 3.36Å; E179-V182 PolarHBondContact O-N 3.37Å; E179-K183 IonicContact OE1-NZ 3.3Å; E179-K183 PolarHBondContact OE1-NZ 2.91Å
180	D	97.6	Very high	97.6	Very high	97 Å²	97	47.3 Å²	47.3	52%	0.519	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-64.2	-18.1	178.2	-66.5	-31	0	0	0	112.3	L178 V182 K183	L178-D180 PolarHBondContact O-N 2.75Å; D180-V182 PolarHBondContact O-N 2.88Å; D180-K183 HydrophobicContact CB-CD 4.46Å; D180-K183 WeakPolarHBondContact O-CB 3.35Å; D180-K183 PolarHBondContact O-N 3.39Å; D180-K183 WeakPolarHBondContact OD1-CD 3.38Å; D180-K183 WeakPolarHBondContact OD1-CE 3.35Å; D180-K183 IonicContact OD1-NZ 2.71Å; D180-K183 PolarHBondContact OD1-NZ 2.88Å
181	T	98.3	Very high	97.6	Very high	4 Å²	4	47.8 Å²	47.8	3%	0.025	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-72.4	-7.4	-178.8	65.9	0	0	0	0	114.4	L178 E179 S230 L231 A234	L178-T181 HydrophobicContact CB-CG2 4.39Å; L178-T181 HydrophobicContact CD2-CG2 4.42Å; L178-T181 WeakPolarHBondContact O-CB 3.06Å; L178-T181 WeakPolarHBondContact O-CG2 3.45Å; L178-T181 PolarHBondContact O-N 2.68Å; L178-T181 PolarHBondContact O-OG1 3.23Å; E179-T181 PolarHBondContact O-N 2.57Å; E179-T181 VanDerWaalsContact O-N 3.11Å; T181-S230 VanDerWaalsContact CA-OG 3.26Å; T181-S230 WeakPolarHBondContact CA-OG 3.3Å; T181-S230 WeakPolarHBondContact O-CB 3.33Å; T181-S230 PolarHBondContact O-OG 2.81Å; T181-L231 HydrophobicContact CG2-CD2 4.07Å; T181-A234 HydrophobicContact CG2-CB 3.77Å
182	V	97.3	Very high	97.6	Very high	10 Å²	10	45.5 Å²	45.5	6%	0.061	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-106.8	1.6	168.9	-58.9	0	0	0	0	112.9	F170 L173 E179 D180 I185 A187 R220 F222 F227	F170-V182 HydrophobicContact CD2-CG2 4.24Å; F170-V182 HydrophobicContact CE2-CG2 3.48Å; F170-V182 VanDerWaalsContact CE2-CG2 3.48Å; F170-V182 HydrophobicContact CZ-CG2 4.27Å; L173-V182 HydrophobicContact CD2-CG1 3.89Å; E179-V182 VanDerWaalsContact O-CG2 3.22Å; E179-V182 WeakPolarHBondContact O-CG2 3.36Å; E179-V182 PolarHBondContact O-N 3.37Å; D180-V182 PolarHBondContact O-N 2.88Å; V182-I185 HydrophobicContact CB-CD1 4.42Å; V182-I185 WeakPolarHBondContact O-CG1 3.32Å; V182-A187 WeakPolarHBondContact O-CB 3.28Å; V182-R220 HydrophobicContact CG2-CG 4.38Å; V182-F222 HydrophobicContact CG1-CD1 4.28Å; V182-F222 HydrophobicContact CG1-CE1 3.89Å; V182-F227 HydrophobicContact CG1-CD2 3.79Å; V182-F227 HydrophobicContact CG1-CE2 3.65Å
183	K	95.1	Very high	97.6	Very high	101 Å²	101	46.5 Å²	46.5	44%	0.439	24%	0.243	S	C	.	.	S	Bend	trans	-82.3	151.5	172	-61.6	-179.5	-173.6	163.7	0	109	E179 D180 I185	E179-K183 IonicContact OE1-NZ 3.3Å; E179-K183 PolarHBondContact OE1-NZ 2.91Å; D180-K183 HydrophobicContact CB-CD 4.46Å; D180-K183 WeakPolarHBondContact O-CB 3.35Å; D180-K183 PolarHBondContact O-N 3.39Å; D180-K183 WeakPolarHBondContact OD1-CD 3.38Å; D180-K183 WeakPolarHBondContact OD1-CE 3.35Å; D180-K183 IonicContact OD1-NZ 2.71Å; D180-K183 PolarHBondContact OD1-NZ 2.88Å; K183-I185 PolarHBondContact O-N 3.48Å
184	D	93.9	Very high	97.7	Very high	171 Å²	171	46.7 Å²	46.7	91%	0.914	24%	0.244	S	C	*	.	S	Bend	trans	58.4	17.8	175.7	-49.9	-38.6	0	0	0	116.6
185	I	97.1	Very high	97.7	Very high	16 Å²	16	41.5 Å²	41.5	8%	0.082	23%	0.225	C	C	.	.	S	Bend	trans	-110.8	22.2	174	63.1	165.4	0	0	0	112.8	V182 K183 A187 F222 Q226 F227	V182-I185 HydrophobicContact CB-CD1 4.42Å; V182-I185 WeakPolarHBondContact O-CG1 3.32Å; K183-I185 PolarHBondContact O-N 3.48Å; I185-A187 HydrophobicContact CD1-CB 4.44Å; I185-A187 HydrophobicContact CG1-CB 4.04Å; I185-A187 PolarHBondContact O-N 2.9Å; I185-A187 VanDerWaalsContact O-N 3.09Å; I185-F222 HydrophobicContact CD1-CB 3.86Å; I185-F222 HydrophobicContact CD1-CD1 4.33Å; I185-F222 HydrophobicContact CD1-CG 4.03Å; I185-Q226 HydrophobicContact CB-CB 3.87Å; I185-Q226 HydrophobicContact CG2-CB 3.98Å; I185-Q226 PolarHBondContact O-OE1 3.15Å; I185-Q226 VanDerWaalsContact O-OE1 3.07Å; I185-F227 HydrophobicContact CD1-CB 4.04Å
186	D	97.4	Very high	97.7	Very high	58 Å²	58	38.1 Å²	38.1	31%	0.31	21%	0.207	S	C	.	.			trans	56.4	25.8	-177.3	-152.6	42.3	0	0	0	113.3	R188 R223 S336 S337	D186-R188 VanDerWaalsContact C-NH2 3.34Å; D186-R188 PolarHBondContact O-NE 3.48Å; D186-R188 PolarHBondContact O-NH2 3.38Å; D186-R188 IonicContact OD1-CZ 2.76Å; D186-R188 IonicContact OD1-NH2 2.65Å; D186-R188 PolarHBondContact OD1-NH2 2.96Å; D186-R188 IonicContact OD2-NH2 3.86Å; D186-R188 PolarHBondContact OD2-NH2 3.37Å; D186-R223 IonicContact OD2-NH2 3.52Å; D186-S336 WeakPolarHBondContact OD2-CA 3.12Å; D186-S336 VanDerWaalsContact OD2-CB 3.25Å; D186-S336 WeakPolarHBondContact OD2-CB 3.23Å; D186-S337 PolarHBondContact OD2-N 2.97Å; D186-S337 PolarHBondContact OD2-OG 2.92Å
187	A	97.8	Very high	97.6	Very high	25 Å²	25	38.4 Å²	38.4	21%	0.207	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-59.5	143.2	179	0	0	0	0	0	111.8	V182 I185 S221 F222	V182-A187 WeakPolarHBondContact O-CB 3.28Å; I185-A187 HydrophobicContact CD1-CB 4.44Å; I185-A187 HydrophobicContact CG1-CB 4.04Å; I185-A187 PolarHBondContact O-N 2.9Å; I185-A187 VanDerWaalsContact O-N 3.09Å; A187-S221 CarbonylContact C-O 3.54Å; A187-S221 VanDerWaalsContact CA-O 3.27Å; A187-S221 WeakPolarHBondContact CA-O 3.3Å; A187-F222 HydrophobicContact CB-CB 4.03Å; A187-F222 HydrophobicContact CB-CD1 4.24Å
188	R	98.2	Very high	97.4	Very high	57 Å²	57	38.4 Å²	38.4	22%	0.215	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	144	175	-57.3	-61	102.4	179.2	5.7	110.6	D186 R220 S221 Q334 S337	D186-R188 VanDerWaalsContact C-NH2 3.34Å; D186-R188 PolarHBondContact O-NE 3.48Å; D186-R188 PolarHBondContact O-NH2 3.38Å; D186-R188 IonicContact OD1-CZ 2.76Å; D186-R188 IonicContact OD1-NH2 2.65Å; D186-R188 PolarHBondContact OD1-NH2 2.96Å; D186-R188 IonicContact OD2-NH2 3.86Å; D186-R188 PolarHBondContact OD2-NH2 3.37Å; R188-R220 WeakPolarHBondContact O-CA 3.35Å; R188-S221 PolarHBondContact N-O 3.29Å; R188-S221 PolarHBondContact O-N 2.87Å; R188-Q334 HydrophobicContact CG-CB 4.09Å; R188-Q334 HydrophobicContact CG-CG 3.92Å; R188-S337 VanDerWaalsContact CZ-N 3.28Å
189	V	98.1	Very high	97.1	Very high	54 Å²	54	43.3 Å²	43.3	33%	0.327	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	136.9	170.4	-179.9	0	0	0	0	108.7	N191 N318	V189-N191 WeakPolarHBondContact CG1-OD1 3.06Å; V189-N318 WeakPolarHBondContact O-CB 3.47Å; V189-N318 PolarHBondContact O-OD1 2.93Å
190	V	98.3	Very high	96.8	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.03	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	115.1	175.7	-172.1	0	0	0	0	109.2	Y208 S218 G219 S221 N318 A320	V190-Y208 HydrophobicContact CB-CE2 4.41Å; V190-Y208 HydrophobicContact CG1-CE2 4.06Å; V190-Y208 VanDerWaalsContact O-CD2 3.24Å; V190-Y208 WeakPolarHBondContact O-CD2 3.28Å; V190-Y208 VanDerWaalsContact O-CE2 3.24Å; V190-Y208 WeakPolarHBondContact O-CE2 3.22Å; V190-S218 CarbonylContact O-C 3.55Å; V190-S218 VanDerWaalsContact O-CA 3.24Å; V190-S218 WeakPolarHBondContact O-CA 3.26Å; V190-S218 VanDerWaalsContact O-CB 3.26Å; V190-S218 WeakPolarHBondContact O-CB 3.24Å; V190-G219 PolarHBondContact N-O 3.11Å; V190-G219 VanDerWaalsContact N-O 3.09Å; V190-G219 PolarHBondContact O-N 3.24Å; V190-S221 WeakPolarHBondContact CG2-OG 3.27Å; V190-N318 CarbonylContact C-O 3.48Å; V190-N318 WeakPolarHBondContact CA-O 3.33Å; V190-A320 HydrophobicContact CG1-CB 4.13Å
191	N	98.3	Very high	96.7	Very high	36 Å²	36	46.5 Å²	46.5	19%	0.193	24%	0.237	C	C	.	.			trans	-97.8	-7.5	-176.4	-69.2	-16.1	0	0	0	113.5	V189 Y208 V216 S218 N318 Y319	V189-N191 WeakPolarHBondContact CG1-OD1 3.06Å; N191-Y208 WeakPolarHBondContact O-CB 3.28Å; N191-Y208 WeakPolarHBondContact O-CD2 3.26Å; N191-Y208 PolarHBondContact O-N 2.88Å; N191-V216 HydrophobicContact CB-CG1 4.26Å; N191-S218 WeakPolarHBondContact OD1-CB 3.41Å; N191-S218 PolarHBondContact OD1-OG 3.44Å; N191-N318 HydrophobicContact CB-CB 4.32Å; N191-N318 PolarHBondContact N-O 2.8Å; N191-Y319 HydrophobicContact CB-CD2 4.2Å; N191-Y319 HydrophobicContact CB-CE2 3.73Å
192	G	97.8	Very high	96.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.8	-164.4	177.3	0	0	0	0	0	112.4	I206 Y319 A320	G192-I206 CarbonylContact C-O 3.44Å; G192-I206 WeakPolarHBondContact CA-O 3.37Å; G192-Y319 VanDerWaalsContact C-CD1 3.44Å; G192-Y319 WeakPolarHBondContact O-CA 3.45Å; G192-A320 PolarHBondContact O-N 2.83Å
193	Y	98.3	Very high	96.5	Very high	22 Å²	22	51.1 Å²	51.1	9%	0.086	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.9	176	-63.9	-92.1	0	0	0	111.9	L164 Q166 I206 Y208 A320 L507	L164-Y193 HydrophobicContact CD1-CE1 4.4Å; L164-Y193 WeakPolarHBondContact CD2-OH 3.19Å; Q166-Y193 PolarHBondContact NE2-OH 2.84Å; Y193-I206 PolarHBondContact N-O 2.74Å; Y193-I206 PolarHBondContact O-N 3.47Å; Y193-Y208 HydrophobicContact CE2-CE1 4.02Å; Y193-Y208 AromaticContact CE2-CZ 3.67Å; Y193-Y208 WeakPolarHBondContact CE2-OH 3.4Å; Y193-Y208 PolarHBondContact OH-OH 2.89Å; Y193-A320 CarbonylContact C-O 3.51Å; Y193-A320 WeakPolarHBondContact CA-O 3.38Å; Y193-A320 HydrophobicContact CD1-CB 3.44Å; Y193-A320 VanDerWaalsContact CD1-CB 3.44Å; Y193-A320 HydrophobicContact CE1-CB 3.44Å; Y193-A320 VanDerWaalsContact CE1-CB 3.44Å; Y193-A320 HydrophobicContact CG-CB 4.39Å; Y193-L507 HydrophobicContact CD2-CD2 3.93Å; Y193-L507 HydrophobicContact CE2-CD2 3.75Å; Y193-L507 HydrophobicContact CE2-CG 4.47Å
194	I	98.4	Very high	96.6	Very high	4 Å²	4	47 Å²	47	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.1	159.4	-52.7	-61	0	0	0	107.3	H196 E203 E205 F315 K316 Y319 A320 E321 L322	I194-H196 VanDerWaalsContact CG2-CE1 3.5Å; I194-H196 WeakPolarHBondContact CG2-CE1 3.4Å; I194-H196 WeakPolarHBondContact CG2-NE2 3.46Å; I194-E203 HydrophobicContact CG2-CB 3.99Å; I194-E203 HydrophobicContact CG2-CG 4.4Å; I194-E205 HydrophobicContact CD1-CB 4.12Å; I194-E205 HydrophobicContact CD1-CG 3.93Å; I194-F315 HydrophobicContact CB-CD1 4.5Å; I194-F315 HydrophobicContact CD1-CD1 4.23Å; I194-F315 HydrophobicContact CG1-CD1 3.92Å; I194-F315 HydrophobicContact CG2-CD1 4Å; I194-F315 HydrophobicContact CG2-CE1 4.27Å; I194-F315 HydrophobicContact CG2-CG 4.5Å; I194-K316 HydrophobicContact CD1-CB 4.14Å; I194-K316 HydrophobicContact CD1-CD 4.3Å; I194-K316 HydrophobicContact CG1-CB 4.26Å; I194-Y319 HydrophobicContact CD1-CD1 3.78Å; I194-Y319 HydrophobicContact CD1-CE1 4.43Å; I194-Y319 HydrophobicContact CD1-CG 4.38Å; I194-Y319 HydrophobicContact CG1-CD1 4.18Å; I194-Y319 HydrophobicContact CG1-CG 4.47Å; I194-A320 PolarHBondContact N-O 3Å; I194-E321 HydrophobicContact CB-CG 4.39Å; I194-E321 CarbonylContact O-C 3.6Å; I194-E321 WeakPolarHBondContact O-CA 3.49Å; I194-L322 PolarHBondContact O-N 3.01Å
195	I	98.4	Very high	96.8	Very high	11 Å²	11	42.4 Å²	42.4	6%	0.056	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	117.5	173.6	-55.3	180	0	0	0	107.7	E203 V204 I206 L322 L324 F490 F493	I195-E203 CarbonylContact O-C 3.57Å; I195-E203 WeakPolarHBondContact O-CA 3.24Å; I195-V204 HydrophobicContact CB-CG1 3.82Å; I195-V204 HydrophobicContact CD1-CG1 4.42Å; I195-V204 HydrophobicContact CG1-CG1 4.41Å; I195-V204 PolarHBondContact N-O 3.47Å; I195-V204 PolarHBondContact O-N 3.01Å; I195-I206 HydrophobicContact CD1-CD1 4.19Å; I195-I206 HydrophobicContact CD1-CG1 3.69Å; I195-I206 HydrophobicContact CG1-CG1 3.95Å; I195-L322 CarbonylContact C-O 3.58Å; I195-L322 WeakPolarHBondContact CA-O 3.31Å; I195-L322 HydrophobicContact CD1-CD2 4.36Å; I195-L322 HydrophobicContact CG1-CB 4.38Å; I195-L322 HydrophobicContact CG1-CD2 4.25Å; I195-L322 HydrophobicContact CG2-CD2 4.29Å; I195-L322 HydrophobicContact CG2-CG 4.46Å; I195-L324 HydrophobicContact CG2-CD1 3.74Å; I195-L324 HydrophobicContact CG2-CD2 4.36Å; I195-L324 HydrophobicContact CG2-CG 3.74Å; I195-F490 HydrophobicContact CG2-CD2 4.02Å; I195-F490 HydrophobicContact CG2-CE2 4.26Å; I195-F493 HydrophobicContact CD1-CD2 3.94Å; I195-F493 HydrophobicContact CD1-CE2 3.9Å
196	H	98.3	Very high	96.8	Very high	17 Å²	17	42.1 Å²	42.1	8%	0.079	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	122.2	175.7	-57.3	-88.2	0	0	0	109.5	I194 F315 E321 L322 V323 L324 P367	I194-H196 VanDerWaalsContact CG2-CE1 3.5Å; I194-H196 WeakPolarHBondContact CG2-CE1 3.4Å; I194-H196 WeakPolarHBondContact CG2-NE2 3.46Å; H196-F315 AromaticContact CE1-CD2 3.84Å; H196-E321 IonicContact CD2-OE2 2.88Å; H196-E321 IonicContact NE2-OE2 2.88Å; H196-E321 PolarHBondContact NE2-OE2 2.78Å; H196-L322 PolarHBondContact N-O 3.26Å; H196-V323 HydrophobicContact CB-CG2 4.44Å; H196-L324 WeakPolarHBondContact O-CB 3.45Å; H196-L324 PolarHBondContact O-N 3.3Å; H196-P367 HydrophobicContact CB-CG 4.36Å
197	D	96.8	Very high	96.8	Very high	10 Å²	10	41.8 Å²	41.8	5%	0.053	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	110.2	169.1	-180	46	0	0	0	110.2	E199 S200 E201 S202 F490	D197-E199 PolarHBondContact O-N 2.88Å; D197-S200 WeakPolarHBondContact OD2-CB 3.41Å; D197-S200 PolarHBondContact OD2-N 3.25Å; D197-S200 PolarHBondContact OD2-OG 2.87Å; D197-E201 WeakPolarHBondContact O-CA 3.48Å; D197-E201 PolarHBondContact O-N 3.39Å; D197-E201 VanDerWaalsContact O-N 3.07Å; D197-S202 PolarHBondContact N-O 2.88Å; D197-S202 PolarHBondContact O-N 2.9Å; D197-F490 HydrophobicContact CB-CD1 3.92Å; D197-F490 HydrophobicContact CB-CD2 3.78Å; D197-F490 HydrophobicContact CB-CE1 3.74Å; D197-F490 HydrophobicContact CB-CE2 3.58Å; D197-F490 HydrophobicContact CB-CG 3.94Å; D197-F490 HydrophobicContact CB-CZ 3.57Å
198	I	93.9	Very high	96.8	Very high	43 Å²	43	40.8 Å²	40.8	22%	0.221	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-18	-175.5	61	159.4	0	0	0	113	V323 A325 K326 Q365	I198-V323 HydrophobicContact CG2-CG1 3.75Å; I198-A325 HydrophobicContact CD1-CB 4.41Å; I198-K326 HydrophobicContact CD1-CG 3.79Å; I198-Q365 HydrophobicContact CD1-CB 4.08Å; I198-Q365 HydrophobicContact CD1-CG 3.99Å; I198-Q365 VanDerWaalsContact CG2-O 3.25Å; I198-Q365 WeakPolarHBondContact CG2-O 3.37Å
199	E	91.7	Very high	96.6	Very high	105 Å²	105	40.4 Å²	40.4	49%	0.491	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-40	-177.8	-171.4	178.4	174.5	0	0	111.6	D197 E201 H483 K487	D197-E199 PolarHBondContact O-N 2.88Å; E199-E201 VanDerWaalsContact C-N 3.35Å; E199-H483 IonicContact OE1-NE2 3.14Å; E199-H483 IonicContact OE2-CE1 3.14Å; E199-H483 PolarHBondContact OE2-CE1 3.47Å; E199-H483 IonicContact OE2-NE2 2.72Å; E199-H483 PolarHBondContact OE2-NE2 3.42Å; E199-K487 VanDerWaalsContact CD-NZ 3.25Å; E199-K487 WeakPolarHBondContact OE1-CE 3.27Å; E199-K487 IonicContact OE1-NZ 3.49Å; E199-K487 PolarHBondContact OE1-NZ 2.64Å; E199-K487 WeakPolarHBondContact OE2-CE 3.11Å; E199-K487 IonicContact OE2-NZ 2.62Å; E199-K487 PolarHBondContact OE2-NZ 3.44Å
200	S	92.8	Very high	96.3	Very high	49 Å²	49	41.9 Å²	41.9	34%	0.343	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-0.8	172.8	65.6	0	0	0	0	114.1	D197 S202	D197-S200 WeakPolarHBondContact OD2-CB 3.41Å; D197-S200 PolarHBondContact OD2-N 3.25Å; D197-S200 PolarHBondContact OD2-OG 2.87Å; S200-S202 PolarHBondContact O-N 3.48Å; S200-S202 PolarHBondContact OG-OG 3.25Å
201	E	93.6	Very high	95.7	Very high	178 Å²	178	44.3 Å²	44.3	83%	0.832	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	48	45.6	-174.3	-63.3	-179.1	-174.2	0	0	111.7	D197 E199	D197-E201 WeakPolarHBondContact O-CA 3.48Å; D197-E201 PolarHBondContact O-N 3.39Å; D197-E201 VanDerWaalsContact O-N 3.07Å; E199-E201 VanDerWaalsContact C-N 3.35Å
202	S	95.8	Very high	94.9	Very high	18 Å²	18	52.2 Å²	52.2	13%	0.126	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	160.7	-177.7	72	0	0	0	0	112.9	D197 S200 F490 R494	D197-S202 PolarHBondContact N-O 2.88Å; D197-S202 PolarHBondContact O-N 2.9Å; S200-S202 PolarHBondContact O-N 3.48Å; S200-S202 PolarHBondContact OG-OG 3.25Å; S202-F490 WeakPolarHBondContact O-CZ 3.42Å; S202-F490 VanDerWaalsContact OG-CE1 3.31Å; S202-F490 WeakPolarHBondContact OG-CE1 3.48Å; S202-F490 WeakPolarHBondContact OG-CZ 3.19Å; S202-R494 PolarHBondContact OG-NH1 2.93Å; S202-R494 VanDerWaalsContact OG-NH1 3.12Å
203	E	96.8	Very high	94.1	Very high	93 Å²	93	58.8 Å²	58.8	44%	0.435	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	157	-178	68.8	-77.6	-176	0	0	112.5	I194 I195 F315	I194-E203 HydrophobicContact CG2-CB 3.99Å; I194-E203 HydrophobicContact CG2-CG 4.4Å; I195-E203 CarbonylContact O-C 3.57Å; I195-E203 WeakPolarHBondContact O-CA 3.24Å; E203-F315 HydrophobicContact CG-CE1 4.18Å; E203-F315 HydrophobicContact CG-CZ 3.9Å
204	V	97.7	Very high	93.4	Very high	15 Å²	15	60.3 Å²	60.3	9%	0.091	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	135	169.6	64.8	0	0	0	0	110.2	I195 I206 F490 F493 R494	I195-V204 HydrophobicContact CB-CG1 3.82Å; I195-V204 HydrophobicContact CD1-CG1 4.42Å; I195-V204 HydrophobicContact CG1-CG1 4.41Å; I195-V204 PolarHBondContact N-O 3.47Å; I195-V204 PolarHBondContact O-N 3.01Å; V204-I206 HydrophobicContact CG1-CD1 4.15Å; V204-I206 HydrophobicContact CG2-CD1 4.23Å; V204-F490 HydrophobicContact CB-CE2 4.25Å; V204-F490 HydrophobicContact CG1-CD2 4.01Å; V204-F490 HydrophobicContact CG1-CE2 3.7Å; V204-F490 HydrophobicContact CG1-CZ 4.47Å; V204-F493 HydrophobicContact CG1-CB 4.02Å; V204-F493 HydrophobicContact CG2-CB 3.97Å; V204-R494 HydrophobicContact CB-CG 4.03Å; V204-R494 HydrophobicContact CG2-CG 4.03Å
205	E	97.6	Very high	92.9	Very high	75 Å²	75	66.8 Å²	66.8	35%	0.35	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	130.6	174.1	-172.5	-176.2	154.7	0	0	110.6	I194 P207 K316 Y319	I194-E205 HydrophobicContact CD1-CB 4.12Å; I194-E205 HydrophobicContact CD1-CG 3.93Å; E205-P207 WeakPolarHBondContact O-CD 3.5Å; E205-K316 IonicContact OE1-NZ 3.82Å; E205-K316 PolarHBondContact OE1-NZ 2.93Å; E205-K316 IonicContact OE2-NZ 3.94Å; E205-K316 PolarHBondContact OE2-NZ 2.95Å; E205-Y319 HydrophobicContact CG-CD1 4.2Å; E205-Y319 HydrophobicContact CG-CE1 3.49Å; E205-Y319 VanDerWaalsContact CG-CE1 3.49Å; E205-Y319 WeakPolarHBondContact OE1-CE1 3.41Å; E205-Y319 VanDerWaalsContact OE1-CZ 3.26Å; E205-Y319 PolarHBondContact OE1-OH 3.3Å
206	I	97.6	Very high	92.7	Very high	9 Å²	9	68.9 Å²	68.9	5%	0.046	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	84	175.4	-49.5	-61.7	0	0	0	108	G192 Y193 I195 V204 F493 V500 V504	G192-I206 CarbonylContact C-O 3.44Å; G192-I206 WeakPolarHBondContact CA-O 3.37Å; Y193-I206 PolarHBondContact N-O 2.74Å; Y193-I206 PolarHBondContact O-N 3.47Å; I195-I206 HydrophobicContact CD1-CD1 4.19Å; I195-I206 HydrophobicContact CD1-CG1 3.69Å; I195-I206 HydrophobicContact CG1-CG1 3.95Å; V204-I206 HydrophobicContact CG1-CD1 4.15Å; V204-I206 HydrophobicContact CG2-CD1 4.23Å; I206-F493 HydrophobicContact CD1-CB 3.81Å; I206-F493 HydrophobicContact CD1-CD1 4.14Å; I206-F493 HydrophobicContact CD1-CD2 4.27Å; I206-F493 HydrophobicContact CD1-CG 3.83Å; I206-V500 HydrophobicContact CD1-CG1 4.12Å; I206-V500 HydrophobicContact CG2-CG1 4.28Å; I206-V504 HydrophobicContact CG2-CB 3.98Å; I206-V504 HydrophobicContact CG2-CG2 3.82Å
207	P	97.4	Very high	92.5	Very high	52 Å²	52	69.4 Å²	69.4	34%	0.338	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	142.2	178.8	30.6	-34.1	0	0	0	110.5	E205	E205-P207 WeakPolarHBondContact O-CD 3.5Å
208	Y	97.6	Very high	92.5	Very high	4 Å²	4	69.7 Å²	69.7	2%	0.016	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-67.2	153.6	167	-72.8	-49.3	0	0	0	111	Q166 P167 V190 N191 Y193 T210 V504	Q166-Y208 PolarHBondContact OE1-OH 3.08Å; P167-Y208 HydrophobicContact CG-CD1 3.81Å; P167-Y208 HydrophobicContact CG-CD2 3.85Å; P167-Y208 HydrophobicContact CG-CE1 3.71Å; P167-Y208 HydrophobicContact CG-CE2 3.78Å; P167-Y208 HydrophobicContact CG-CG 3.88Å; V190-Y208 HydrophobicContact CB-CE2 4.41Å; V190-Y208 HydrophobicContact CG1-CE2 4.06Å; V190-Y208 VanDerWaalsContact O-CD2 3.24Å; V190-Y208 WeakPolarHBondContact O-CD2 3.28Å; V190-Y208 VanDerWaalsContact O-CE2 3.24Å; V190-Y208 WeakPolarHBondContact O-CE2 3.22Å; N191-Y208 WeakPolarHBondContact O-CB 3.28Å; N191-Y208 WeakPolarHBondContact O-CD2 3.26Å; N191-Y208 PolarHBondContact O-N 2.88Å; Y193-Y208 HydrophobicContact CE2-CE1 4.02Å; Y193-Y208 AromaticContact CE2-CZ 3.67Å; Y193-Y208 WeakPolarHBondContact CE2-OH 3.4Å; Y193-Y208 PolarHBondContact OH-OH 2.89Å; Y208-T210 PolarHBondContact O-N 3.4Å; Y208-V504 HydrophobicContact CD1-CG2 3.72Å; Y208-V504 HydrophobicContact CE1-CG2 4.26Å
209	P	94.5	Very high	92.7	Very high	49 Å²	49	67.6 Å²	67.6	32%	0.318	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-56.4	140.4	178	-24.7	34.7	0	0	0	112.3	A217 V504 L510	P209-A217 WeakPolarHBondContact O-CB 3.45Å; P209-A217 PolarHBondContact O-N 3.25Å; P209-V504 HydrophobicContact CG-CG1 4.2Å; P209-L510 HydrophobicContact CB-CD1 4.43Å; P209-L510 HydrophobicContact CG-CD1 3.94Å
210	T	91.9	Very high	93	Very high	85 Å²	85	65.2 Å²	65.2	52%	0.521	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-106.5	135	173.6	-53.4	0	0	0	0	108.5	Y208 G214 V216	Y208-T210 PolarHBondContact O-N 3.4Å; T210-G214 VanDerWaalsContact CG2-C 3.45Å; T210-V216 HydrophobicContact CG2-CG2 4.33Å
211	S	84.9	Confident	93.3	Very high	55 Å²	55	62.9 Å²	62.9	39%	0.385	35%	0.345	S	S	.	.			trans	-68.1	165	174.4	68.2	0	0	0	0	111.4	D213 G214 H215	S211-D213 PolarHBondContact O-N 2.81Å; S211-G214 PolarHBondContact O-N 2.97Å; S211-H215 PolarHBondContact N-O 3.43Å; S211-H215 WeakPolarHBondContact OG-CB 3.39Å; S211-H215 PolarHBondContact OG-N 2.95Å; S211-H215 VanDerWaalsContact OG-N 3.16Å; S211-H215 PolarHBondContact OG-O 3.11Å
212	E	81.2	Confident	93.5	Very high	202 Å²	202	54.4 Å²	54.4	94%	0.944	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.8	175.5	-65	-177.9	178.6	0	0	112	G214	E212-G214 PolarHBondContact O-N 3.3Å; E212-G214 VanDerWaalsContact O-N 3.16Å
213	D	80.9	Confident	93.6	Very high	138 Å²	138	56.7 Å²	56.7	74%	0.738	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	13.8	175.7	-51.7	-48.5	0	0	0	113.9	S211 H215	S211-D213 PolarHBondContact O-N 2.81Å; D213-H215 VanDerWaalsContact C-N 3.29Å; D213-H215 PolarHBondContact O-N 2.96Å; D213-H215 PolarHBondContact O-ND1 2.87Å
214	G	83.6	Confident	93.6	Very high	55 Å²	55	53.1 Å²	53.1	57%	0.567	29%	0.294	S	S	*	.	S	Bend	trans	75.3	8.4	176.3	0	0	0	0	0	115.6	T210 S211 E212	T210-G214 VanDerWaalsContact CG2-C 3.45Å; S211-G214 PolarHBondContact O-N 2.97Å; E212-G214 PolarHBondContact O-N 3.3Å; E212-G214 VanDerWaalsContact O-N 3.16Å
215	H	88.6	Confident	93.6	Very high	139 Å²	139	52.6 Å²	52.6	64%	0.644	29%	0.292	S	S	*	.			trans	-90.1	123	-179.7	-69.2	71.6	0	0	0	111	S211 D213	S211-H215 PolarHBondContact N-O 3.43Å; S211-H215 WeakPolarHBondContact OG-CB 3.39Å; S211-H215 PolarHBondContact OG-N 2.95Å; S211-H215 VanDerWaalsContact OG-N 3.16Å; S211-H215 PolarHBondContact OG-O 3.11Å; D213-H215 VanDerWaalsContact C-N 3.29Å; D213-H215 PolarHBondContact O-N 2.96Å; D213-H215 PolarHBondContact O-ND1 2.87Å
216	V	93.3	Very high	93.7	Very high	55 Å²	55	51.4 Å²	51.4	33%	0.333	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-72.2	130.7	176.2	-175.4	0	0	0	0	109.6	N191 T210 S218	N191-V216 HydrophobicContact CB-CG1 4.26Å; T210-V216 HydrophobicContact CG2-CG2 4.33Å; V216-S218 PolarHBondContact O-N 3.29Å; V216-S218 PolarHBondContact O-OG 3.16Å
217	A	94.9	Very high	93.7	Very high	29 Å²	29	51 Å²	51	24%	0.24	28%	0.284	C	S	.	.			trans	-75.2	76.1	171	0	0	0	0	0	109.5	P167 P209 L510	P167-A217 HydrophobicContact CB-CB 4.49Å; P167-A217 WeakPolarHBondContact CB-O 3.49Å; P167-A217 WeakPolarHBondContact CG-O 3.34Å; P209-A217 WeakPolarHBondContact O-CB 3.45Å; P209-A217 PolarHBondContact O-N 3.25Å; A217-L510 HydrophobicContact CB-CD1 3.59Å; A217-L510 HydrophobicContact CB-CD2 4.41Å
218	S	96.6	Very high	93.8	Very high	15 Å²	15	48.6 Å²	48.6	11%	0.105	27%	0.269	C	S	.	.			trans	-83.4	145.7	-171.1	-47.9	0	0	0	0	113.2	V190 N191 V216 R220	V190-S218 CarbonylContact O-C 3.55Å; V190-S218 VanDerWaalsContact O-CA 3.24Å; V190-S218 WeakPolarHBondContact O-CA 3.26Å; V190-S218 VanDerWaalsContact O-CB 3.26Å; V190-S218 WeakPolarHBondContact O-CB 3.24Å; N191-S218 WeakPolarHBondContact OD1-CB 3.41Å; N191-S218 PolarHBondContact OD1-OG 3.44Å; V216-S218 PolarHBondContact O-N 3.29Å; V216-S218 PolarHBondContact O-OG 3.16Å; S218-R220 PolarHBondContact O-NH1 2.62Å
219	G	97.6	Very high	93.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-179.7	167.7	0	0	0	0	0	112.2	L165 V190	L165-G219 VanDerWaalsContact O-CA 3.25Å; L165-G219 WeakPolarHBondContact O-CA 3.23Å; V190-G219 PolarHBondContact N-O 3.11Å; V190-G219 VanDerWaalsContact N-O 3.09Å; V190-G219 PolarHBondContact O-N 3.24Å
220	R	98.3	Very high	94	Very high	54 Å²	54	50.4 Å²	50.4	20%	0.204	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	134.6	172.8	-66.5	-65.6	-179.9	-79.4	-0.6	110.1	L165 F170 V182 R188 S218 F222	L165-R220 PolarHBondContact N-O 3.25Å; L165-R220 PolarHBondContact O-N 2.88Å; F170-R220 HydrophobicContact CD2-CG 4.11Å; F170-R220 HydrophobicContact CE2-CG 4.23Å; F170-R220 HydrophobicContact CG-CG 4.32Å; V182-R220 HydrophobicContact CG2-CG 4.38Å; R188-R220 WeakPolarHBondContact O-CA 3.35Å; S218-R220 PolarHBondContact O-NH1 2.62Å; R220-F222 HydrophobicContact CB-CD1 4.08Å; R220-F222 HydrophobicContact CB-CE1 3.98Å
221	S	98.2	Very high	94.4	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.007	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	147.1	167.9	47.5	0	0	0	0	110.9	E163 A187 R188 V190 Q334	E163-S221 CarbonylContact O-C 3.53Å; E163-S221 WeakPolarHBondContact O-CA 3.49Å; E163-S221 VanDerWaalsContact O-CB 3.27Å; E163-S221 WeakPolarHBondContact O-CB 3.21Å; A187-S221 CarbonylContact C-O 3.54Å; A187-S221 VanDerWaalsContact CA-O 3.27Å; A187-S221 WeakPolarHBondContact CA-O 3.3Å; R188-S221 PolarHBondContact N-O 3.29Å; R188-S221 PolarHBondContact O-N 2.87Å; V190-S221 WeakPolarHBondContact CG2-OG 3.27Å; S221-Q334 VanDerWaalsContact CB-O 3.23Å; S221-Q334 WeakPolarHBondContact CB-O 3.43Å; S221-Q334 PolarHBondContact OG-O 3.01Å
222	F	98.3	Very high	95	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.			trans	-164.7	165.2	-169.9	40	-106.4	0	0	0	110.6	E163 L165 V182 I185 A187 R220 H224 F227 I335 M419	E163-F222 VanDerWaalsContact CA-O 3.31Å; E163-F222 WeakPolarHBondContact CA-O 3.39Å; E163-F222 WeakPolarHBondContact CB-O 3.48Å; E163-F222 WeakPolarHBondContact CG-O 3.35Å; E163-F222 PolarHBondContact O-N 3.37Å; L165-F222 HydrophobicContact CB-CE1 3.97Å; L165-F222 HydrophobicContact CB-CZ 4Å; V182-F222 HydrophobicContact CG1-CD1 4.28Å; V182-F222 HydrophobicContact CG1-CE1 3.89Å; I185-F222 HydrophobicContact CD1-CB 3.86Å; I185-F222 HydrophobicContact CD1-CD1 4.33Å; I185-F222 HydrophobicContact CD1-CG 4.03Å; A187-F222 HydrophobicContact CB-CB 4.03Å; A187-F222 HydrophobicContact CB-CD1 4.24Å; R220-F222 HydrophobicContact CB-CD1 4.08Å; R220-F222 HydrophobicContact CB-CE1 3.98Å; F222-H224 PolarHBondContact O-N 3.15Å; F222-F227 HydrophobicContact CD2-CB 3.53Å; F222-F227 HydrophobicContact CD2-CD1 4.37Å; F222-F227 HydrophobicContact CD2-CG 4.07Å; F222-F227 HydrophobicContact CE1-CG 4.42Å; F222-F227 HydrophobicContact CE2-CB 3.44Å; F222-F227 VanDerWaalsContact CE2-CB 3.44Å; F222-F227 AromaticContact CE2-CD1 3.39Å; F222-F227 HydrophobicContact CE2-CD1 3.39Å; F222-F227 HydrophobicContact CE2-CD2 4.35Å; F222-F227 HydrophobicContact CE2-CE1 4.2Å; F222-F227 AromaticContact CE2-CG 3.47Å; F222-F227 HydrophobicContact CE2-CG 3.47Å; F222-F227 VanDerWaalsContact CE2-CG 3.47Å; F222-F227 HydrophobicContact CG-CB 4.27Å; F222-F227 HydrophobicContact CZ-CB 4.1Å; F222-F227 AromaticContact CZ-CD1 3.55Å; F222-F227 HydrophobicContact CZ-CD1 3.55Å; F222-F227 HydrophobicContact CZ-CD2 4.16Å; F222-F227 AromaticContact CZ-CE1 3.92Å; F222-F227 HydrophobicContact CZ-CE1 3.92Å; F222-F227 HydrophobicContact CZ-CE2 4.5Å; F222-F227 AromaticContact CZ-CG 3.67Å; F222-F227 HydrophobicContact CZ-CG 3.67Å; F222-F227 HydrophobicContact CZ-CZ 4.38Å; F222-I335 CarbonylContact C-O 3.54Å; F222-I335 VanDerWaalsContact CA-O 3.3Å; F222-I335 WeakPolarHBondContact CA-O 3.42Å; F222-M419 HydrophobicContact CE2-CE 4.15Å; F222-M419 HydrophobicContact CZ-CE 3.91Å
223	R	98.1	Very high	95.8	Very high	65 Å²	65	42 Å²	42	25%	0.245	22%	0.223	C	C	.	.			trans	-66.2	124.8	164.9	-75.9	179.8	-83.8	-126.5	0.1	109.8	D186 G225 Q226 F227 I335 E339	D186-R223 IonicContact OD2-NH2 3.52Å; R223-G225 VanDerWaalsContact C-N 3.27Å; R223-G225 PolarHBondContact O-N 2.84Å; R223-Q226 HydrophobicContact CB-CB 4.5Å; R223-Q226 HydrophobicContact CB-CG 4.05Å; R223-Q226 VanDerWaalsContact NE-OE1 3.11Å; R223-Q226 PolarHBondContact O-N 3.29Å; R223-F227 PolarHBondContact O-N 3.47Å; R223-I335 HydrophobicContact CG-CD1 4.01Å; R223-I335 HydrophobicContact CG-CG1 4.44Å; R223-I335 PolarHBondContact N-O 3.18Å; R223-E339 IonicContact CZ-OE2 3.46Å; R223-E339 IonicContact NE-OE2 2.76Å; R223-E339 IonicContact NH1-OE1 3.44Å; R223-E339 PolarHBondContact NH1-OE1 3.47Å; R223-E339 IonicContact NH1-OE2 3.2Å; R223-E339 PolarHBondContact NH1-OE2 3.1Å
224	H	97.8	Very high	96.7	Very high	18 Å²	18	36.4 Å²	36.4	8%	0.083	20%	0.195	C	C	.	.	H	α-helix	trans	-57.3	-41.3	-174.8	-179.8	68.9	0	0	0	112.6	V161 G162 E163 F222 Q226 F227 I228	V161-H224 VanDerWaalsContact O-CG 3.25Å; V161-H224 PolarHBondContact O-ND1 3.25Å; G162-H224 PolarHBondContact O-ND1 3.41Å; E163-H224 HydrophobicContact CG-CB 3.9Å; F222-H224 PolarHBondContact O-N 3.15Å; H224-Q226 PolarHBondContact O-N 2.96Å; H224-F227 PolarHBondContact O-N 3.27Å; H224-I228 WeakPolarHBondContact NE2-CG1 3.37Å; H224-I228 WeakPolarHBondContact O-CG1 3.33Å; H224-I228 PolarHBondContact O-N 3.38Å
225	G	98	Very high	97.4	Very high	4 Å²	4	33.8 Å²	33.8	4%	0.041	17%	0.168	C	C	.	.	H	α-helix	trans	-55.2	-50.6	178.9	0	0	0	0	0	112.9	P157 R223 F227 I228 M229	P157-G225 WeakPolarHBondContact O-CA 3.25Å; P157-G225 PolarHBondContact O-N 3.19Å; R223-G225 VanDerWaalsContact C-N 3.27Å; R223-G225 PolarHBondContact O-N 2.84Å; G225-F227 VanDerWaalsContact C-N 3.34Å; G225-F227 PolarHBondContact O-N 3.4Å; G225-I228 PolarHBondContact O-N 2.62Å; G225-M229 WeakPolarHBondContact O-CG 3.37Å; G225-M229 PolarHBondContact O-N 3.21Å
226	Q	98.2	Very high	97.9	Very high	50 Å²	50	31.1 Å²	31.1	23%	0.234	16%	0.157	C	C	.	.	H	α-helix	trans	-60.8	-41.7	-179.7	-57.7	-172.7	-55.7	0	0	111.9	E156 I185 R223 H224 M229 S230	E156-Q226 WeakPolarHBondContact OE1-CG 3.24Å; E156-Q226 PolarHBondContact OE1-N 3.4Å; I185-Q226 HydrophobicContact CB-CB 3.87Å; I185-Q226 HydrophobicContact CG2-CB 3.98Å; I185-Q226 PolarHBondContact O-OE1 3.15Å; I185-Q226 VanDerWaalsContact O-OE1 3.07Å; R223-Q226 HydrophobicContact CB-CB 4.5Å; R223-Q226 HydrophobicContact CB-CG 4.05Å; R223-Q226 VanDerWaalsContact NE-OE1 3.11Å; R223-Q226 PolarHBondContact O-N 3.29Å; H224-Q226 PolarHBondContact O-N 2.96Å; Q226-M229 PolarHBondContact O-N 2.88Å; Q226-S230 WeakPolarHBondContact O-CB 3.43Å; Q226-S230 PolarHBondContact O-N 3.07Å
227	F	98.6	Very high	98.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64	-44.1	175.4	178.9	-128.4	0	0	0	112.6	V131 L173 V182 I185 F222 R223 H224 G225 M229 S230 L231 M419	V131-F227 HydrophobicContact CG1-CE1 4.22Å; V131-F227 HydrophobicContact CG2-CE1 4.29Å; L173-F227 HydrophobicContact CD1-CZ 4.35Å; L173-F227 HydrophobicContact CD2-CE2 4.11Å; L173-F227 HydrophobicContact CD2-CZ 4.32Å; V182-F227 HydrophobicContact CG1-CD2 3.79Å; V182-F227 HydrophobicContact CG1-CE2 3.65Å; I185-F227 HydrophobicContact CD1-CB 4.04Å; F222-F227 HydrophobicContact CD2-CB 3.53Å; F222-F227 HydrophobicContact CD2-CD1 4.37Å; F222-F227 HydrophobicContact CD2-CG 4.07Å; F222-F227 HydrophobicContact CE1-CG 4.42Å; F222-F227 HydrophobicContact CE2-CB 3.44Å; F222-F227 VanDerWaalsContact CE2-CB 3.44Å; F222-F227 AromaticContact CE2-CD1 3.39Å; F222-F227 HydrophobicContact CE2-CD1 3.39Å; F222-F227 HydrophobicContact CE2-CD2 4.35Å; F222-F227 HydrophobicContact CE2-CE1 4.2Å; F222-F227 AromaticContact CE2-CG 3.47Å; F222-F227 HydrophobicContact CE2-CG 3.47Å; F222-F227 VanDerWaalsContact CE2-CG 3.47Å; F222-F227 HydrophobicContact CG-CB 4.27Å; F222-F227 HydrophobicContact CZ-CB 4.1Å; F222-F227 AromaticContact CZ-CD1 3.55Å; F222-F227 HydrophobicContact CZ-CD1 3.55Å; F222-F227 HydrophobicContact CZ-CD2 4.16Å; F222-F227 AromaticContact CZ-CE1 3.92Å; F222-F227 HydrophobicContact CZ-CE1 3.92Å; F222-F227 HydrophobicContact CZ-CE2 4.5Å; F222-F227 AromaticContact CZ-CG 3.67Å; F222-F227 HydrophobicContact CZ-CG 3.67Å; F222-F227 HydrophobicContact CZ-CZ 4.38Å; R223-F227 PolarHBondContact O-N 3.47Å; H224-F227 PolarHBondContact O-N 3.27Å; G225-F227 VanDerWaalsContact C-N 3.34Å; G225-F227 PolarHBondContact O-N 3.4Å; F227-M229 PolarHBondContact O-N 3.16Å; F227-S230 PolarHBondContact O-N 3.37Å; F227-L231 HydrophobicContact CD1-CD1 4.17Å; F227-L231 HydrophobicContact CD2-CD1 4.41Å; F227-L231 HydrophobicContact CD2-CG 4.26Å; F227-L231 HydrophobicContact CE1-CD1 3.71Å; F227-L231 HydrophobicContact CE1-CG 4.5Å; F227-L231 HydrophobicContact CE2-CD1 3.96Å; F227-L231 HydrophobicContact CE2-CD2 4.11Å; F227-L231 HydrophobicContact CE2-CG 3.86Å; F227-L231 HydrophobicContact CZ-CD1 3.6Å; F227-L231 HydrophobicContact CZ-CD2 4.21Å; F227-L231 HydrophobicContact CZ-CG 4.01Å; F227-L231 WeakPolarHBondContact O-CG 3.29Å; F227-L231 PolarHBondContact O-N 2.88Å; F227-M419 HydrophobicContact CD1-SD 4.2Å; F227-M419 HydrophobicContact CE1-SD 3.92Å
228	I	98.6	Very high	98.3	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.015	17%	0.168	C	C	.	.	H	α-helix	trans	-61.2	-44.7	175.9	-66.6	-61	0	0	0	111.3	V131 P157 H224 G225 S230 L231 R232	V131-I228 HydrophobicContact CB-CD1 4.41Å; V131-I228 HydrophobicContact CG2-CD1 3.58Å; P157-I228 HydrophobicContact CG-CB 3.79Å; P157-I228 HydrophobicContact CG-CG1 3.91Å; P157-I228 HydrophobicContact CG-CG2 3.83Å; H224-I228 WeakPolarHBondContact NE2-CG1 3.37Å; H224-I228 WeakPolarHBondContact O-CG1 3.33Å; H224-I228 PolarHBondContact O-N 3.38Å; G225-I228 PolarHBondContact O-N 2.62Å; I228-S230 VanDerWaalsContact C-N 3.3Å; I228-S230 PolarHBondContact O-N 2.73Å; I228-L231 PolarHBondContact O-N 2.96Å; I228-R232 HydrophobicContact CG2-CG 4.36Å; I228-R232 WeakPolarHBondContact O-CB 3.39Å; I228-R232 WeakPolarHBondContact O-CG 3.24Å; I228-R232 PolarHBondContact O-N 3.41Å
229	M	98.6	Very high	98.4	Very high	65 Å²	65	37.3 Å²	37.3	32%	0.32	20%	0.2	S	C	.	.	H	α-helix	trans	-63.7	-37.3	177.9	-68.7	-47.2	-67.7	0	0	112	L154 E156 G225 Q226 F227 R232 K233	L154-M229 VanDerWaalsContact O-CE 3.22Å; L154-M229 WeakPolarHBondContact O-CE 3.5Å; L154-M229 VanDerWaalsContact O-SD 3.33Å; E156-M229 HydrophobicContact CB-CG 3.78Å; E156-M229 HydrophobicContact CB-SD 4.35Å; E156-M229 HydrophobicContact CG-CG 3.97Å; G225-M229 WeakPolarHBondContact O-CG 3.37Å; G225-M229 PolarHBondContact O-N 3.21Å; Q226-M229 PolarHBondContact O-N 2.88Å; F227-M229 PolarHBondContact O-N 3.16Å; M229-R232 PolarHBondContact O-N 3.34Å; M229-K233 WeakPolarHBondContact O-CB 3.27Å; M229-K233 PolarHBondContact O-N 3.02Å
230	S	98.6	Very high	98.4	Very high	25 Å²	25	40.2 Å²	40.2	18%	0.175	22%	0.215	C	C	.	.	H	α-helix	trans	-68	-39.4	175.5	-162.2	0	0	0	0	112.9	T181 Q226 F227 I228 K233 A234	T181-S230 VanDerWaalsContact CA-OG 3.26Å; T181-S230 WeakPolarHBondContact CA-OG 3.3Å; T181-S230 WeakPolarHBondContact O-CB 3.33Å; T181-S230 PolarHBondContact O-OG 2.81Å; Q226-S230 WeakPolarHBondContact O-CB 3.43Å; Q226-S230 PolarHBondContact O-N 3.07Å; F227-S230 PolarHBondContact O-N 3.37Å; I228-S230 VanDerWaalsContact C-N 3.3Å; I228-S230 PolarHBondContact O-N 2.73Å; S230-K233 PolarHBondContact O-N 3.09Å; S230-A234 PolarHBondContact O-N 3Å
231	L	98.8	Very high	98.4	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-64.3	-43.4	173.5	-73.6	172.4	0	0	0	111.8	V131 L173 L178 T181 F227 I228 A234 A235	V131-L231 HydrophobicContact CG1-CD1 4.27Å; L173-L231 HydrophobicContact CD1-CD2 4.23Å; L178-L231 HydrophobicContact CD1-CD2 4.38Å; T181-L231 HydrophobicContact CG2-CD2 4.07Å; F227-L231 HydrophobicContact CD1-CD1 4.17Å; F227-L231 HydrophobicContact CD2-CD1 4.41Å; F227-L231 HydrophobicContact CD2-CG 4.26Å; F227-L231 HydrophobicContact CE1-CD1 3.71Å; F227-L231 HydrophobicContact CE1-CG 4.5Å; F227-L231 HydrophobicContact CE2-CD1 3.96Å; F227-L231 HydrophobicContact CE2-CD2 4.11Å; F227-L231 HydrophobicContact CE2-CG 3.86Å; F227-L231 HydrophobicContact CZ-CD1 3.6Å; F227-L231 HydrophobicContact CZ-CD2 4.21Å; F227-L231 HydrophobicContact CZ-CG 4.01Å; F227-L231 WeakPolarHBondContact O-CG 3.29Å; F227-L231 PolarHBondContact O-N 2.88Å; I228-L231 PolarHBondContact O-N 2.96Å; L231-A234 PolarHBondContact O-N 3.39Å; L231-A235 PolarHBondContact O-N 3.15Å
232	R	98.8	Very high	98.4	Very high	8 Å²	8	44.7 Å²	44.7	3%	0.03	24%	0.239	C	C	.	.	H	α-helix	trans	-59.5	-47.2	175.3	-77.3	171.4	179	178.3	-4.2	111.1	S129 E151 D153 L154 K155 I228 M229 A234 A235 M236	S129-R232 PolarHBondContact O-NE 2.85Å; S129-R232 PolarHBondContact O-NH2 3.05Å; S129-R232 VanDerWaalsContact OG-CG 3.28Å; S129-R232 WeakPolarHBondContact OG-CG 3.47Å; S129-R232 PolarHBondContact OG-NE 2.79Å; E151-R232 IonicContact OE1-NH2 2.79Å; E151-R232 IonicContact OE2-NH2 3.27Å; D153-R232 PolarHBondContact O-NH1 3.09Å; D153-R232 PolarHBondContact O-NH2 3.5Å; L154-R232 PolarHBondContact O-NH1 3.39Å; K155-R232 PolarHBondContact O-NH1 3.37Å; I228-R232 HydrophobicContact CG2-CG 4.36Å; I228-R232 WeakPolarHBondContact O-CB 3.39Å; I228-R232 WeakPolarHBondContact O-CG 3.24Å; I228-R232 PolarHBondContact O-N 3.41Å; M229-R232 PolarHBondContact O-N 3.34Å; R232-A234 VanDerWaalsContact C-N 3.33Å; R232-A234 PolarHBondContact O-N 3.31Å; R232-A235 PolarHBondContact O-N 3.33Å; R232-M236 WeakPolarHBondContact O-CB 3.38Å; R232-M236 VanDerWaalsContact O-CG 3.23Å; R232-M236 WeakPolarHBondContact O-CG 3.32Å; R232-M236 PolarHBondContact O-N 2.91Å
233	K	98.7	Very high	98.5	Very high	158 Å²	158	46.5 Å²	46.5	69%	0.687	25%	0.247	S	C	*	.	H	α-helix	trans	-57.9	-45.2	176.5	-176.7	-177.3	177.3	-174.1	0	111.6	M229 S230 A235 M236 A237	M229-K233 WeakPolarHBondContact O-CB 3.27Å; M229-K233 PolarHBondContact O-N 3.02Å; S230-K233 PolarHBondContact O-N 3.09Å; K233-A235 PolarHBondContact O-N 2.84Å; K233-M236 PolarHBondContact O-N 3.38Å; K233-A237 WeakPolarHBondContact O-CB 3.35Å; K233-A237 PolarHBondContact O-N 3.3Å; K233-A237 VanDerWaalsContact O-N 3.11Å
234	A	98.7	Very high	98.5	Very high	20 Å²	20	44.3 Å²	44.3	17%	0.165	24%	0.24	C	C	.	.	H	α-helix	trans	-62.2	-41.9	177.3	0	0	0	0	0	112.2	L178 T181 S230 L231 R232	L178-A234 HydrophobicContact CD2-CB 4.17Å; T181-A234 HydrophobicContact CG2-CB 3.77Å; S230-A234 PolarHBondContact O-N 3Å; L231-A234 PolarHBondContact O-N 3.39Å; R232-A234 VanDerWaalsContact C-N 3.33Å; R232-A234 PolarHBondContact O-N 3.31Å
235	A	98.8	Very high	98.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-70.4	-41.9	177.6	0	0	0	0	0	113.1	S134 A137 A138 L231 R232 K233 A237 E238 A241 F243	S134-A235 WeakPolarHBondContact O-CB 3.3Å; A137-A235 HydrophobicContact CB-CB 4.16Å; A138-A235 HydrophobicContact CB-CB 3.89Å; L231-A235 PolarHBondContact O-N 3.15Å; R232-A235 PolarHBondContact O-N 3.33Å; K233-A235 PolarHBondContact O-N 2.84Å; A235-A237 PolarHBondContact O-N 2.89Å; A235-E238 WeakPolarHBondContact O-CB 3.43Å; A235-E238 PolarHBondContact O-N 2.98Å; A235-E238 VanDerWaalsContact O-N 3.1Å; A235-A241 WeakPolarHBondContact O-CB 3.19Å; A235-F243 HydrophobicContact CB-CE2 3.9Å; A235-F243 HydrophobicContact CB-CZ 3.57Å
236	M	98.7	Very high	98.5	Very high	82 Å²	82	45.5 Å²	45.5	40%	0.404	25%	0.245	S	C	.	.	H	α-helix	trans	-66.2	-20.8	177.6	-72.9	171.1	173.4	0	0	113.2	L154 R232 K233 F243	L154-M236 HydrophobicContact CD1-CE 3.95Å; L154-M236 HydrophobicContact CD2-CE 3.79Å; L154-M236 HydrophobicContact CG-CE 4.41Å; R232-M236 WeakPolarHBondContact O-CB 3.38Å; R232-M236 VanDerWaalsContact O-CG 3.23Å; R232-M236 WeakPolarHBondContact O-CG 3.32Å; R232-M236 PolarHBondContact O-N 2.91Å; K233-M236 PolarHBondContact O-N 3.38Å; M236-F243 HydrophobicContact CB-CD2 4.36Å; M236-F243 HydrophobicContact CB-CE2 4.38Å; M236-F243 HydrophobicContact CE-CB 3.8Å; M236-F243 HydrophobicContact CE-CD1 3.53Å; M236-F243 HydrophobicContact CE-CD2 4.28Å; M236-F243 HydrophobicContact CE-CE1 4.17Å; M236-F243 HydrophobicContact CE-CG 3.59Å; M236-F243 HydrophobicContact CG-CB 4.42Å; M236-F243 HydrophobicContact CG-CD1 4.21Å; M236-F243 HydrophobicContact CG-CD2 3.42Å; M236-F243 VanDerWaalsContact CG-CD2 3.42Å; M236-F243 HydrophobicContact CG-CE1 4.36Å; M236-F243 HydrophobicContact CG-CE2 3.61Å; M236-F243 HydrophobicContact CG-CG 3.75Å; M236-F243 HydrophobicContact CG-CZ 4.1Å
237	A	98.6	Very high	98.6	Very high	80 Å²	80	45.7 Å²	45.7	66%	0.661	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-14.4	174.2	0	0	0	0	0	112.8	K233 A235	K233-A237 WeakPolarHBondContact O-CB 3.35Å; K233-A237 PolarHBondContact O-N 3.3Å; K233-A237 VanDerWaalsContact O-N 3.11Å; A235-A237 PolarHBondContact O-N 2.89Å
238	E	98.6	Very high	98.6	Very high	32 Å²	32	46.1 Å²	46.1	15%	0.15	25%	0.253	C	S	.	.	S	Bend	trans	-78.9	131.6	178.7	-58.3	-58.5	152.7	0	0	111	R142 A235 N240 A241	R142-E238 HydrophobicContact CG-CG 4.24Å; R142-E238 WeakPolarHBondContact CG-OE1 3.47Å; R142-E238 WeakPolarHBondContact CG-OE2 3.41Å; R142-E238 IonicContact CZ-OE1 2.76Å; R142-E238 VanDerWaalsContact CZ-OE1 3.3Å; R142-E238 IonicContact NE-OE1 2.68Å; R142-E238 PolarHBondContact NE-OE1 2.9Å; R142-E238 IonicContact NE-OE2 2.66Å; R142-E238 IonicContact NH2-OE1 2.78Å; R142-E238 PolarHBondContact NH2-OE1 3.02Å; A235-E238 WeakPolarHBondContact O-CB 3.43Å; A235-E238 PolarHBondContact O-N 2.98Å; A235-E238 VanDerWaalsContact O-N 3.1Å; E238-N240 PolarHBondContact O-N 2.97Å; E238-A241 HydrophobicContact CB-CB 4.07Å; E238-A241 PolarHBondContact O-N 3.45Å; E238-A241 VanDerWaalsContact O-N 3.13Å
239	P	97.8	Very high	98.5	Very high	118 Å²	118	49.3 Å²	49.3	77%	0.766	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-26.1	-175	26	-34.9	0	0	0	113.5	A241	P239-A241 VanDerWaalsContact C-N 3.35Å
240	N	98.1	Very high	98.5	Very high	61 Å²	61	51.6 Å²	51.6	33%	0.326	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	9.2	180	-60.1	-37.2	0	0	0	113.3	S141 R145 V147 E238	S141-N240 PolarHBondContact O-ND2 3.24Å; S141-N240 VanDerWaalsContact O-ND2 3.14Å; S141-N240 PolarHBondContact OG-O 2.74Å; R145-N240 VanDerWaalsContact O-CB 3.24Å; R145-N240 WeakPolarHBondContact O-CB 3.33Å; V147-N240 PolarHBondContact N-O 3.46Å; E238-N240 PolarHBondContact O-N 2.97Å
241	A	98.4	Very high	98.5	Very high	18 Å²	18	51.2 Å²	51.2	15%	0.149	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.1	178.5	0	0	0	0	0	110.9	S141 V147 A235 E238 P239 F243	S141-A241 WeakPolarHBondContact OG-CB 3.29Å; V147-A241 WeakPolarHBondContact O-CA 3.36Å; A235-A241 WeakPolarHBondContact O-CB 3.19Å; E238-A241 HydrophobicContact CB-CB 4.07Å; E238-A241 PolarHBondContact O-N 3.45Å; E238-A241 VanDerWaalsContact O-N 3.13Å; P239-A241 VanDerWaalsContact C-N 3.35Å; A241-F243 HydrophobicContact CB-CE2 4.09Å
242	K	98.6	Very high	98.4	Very high	130 Å²	130	52.3 Å²	52.3	57%	0.565	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.8	171.4	-175.7	176.1	179	179.3	0	110	V147 T148 V149	V147-K242 PolarHBondContact O-N 2.91Å; T148-K242 CarbonylContact C-O 3.51Å; T148-K242 VanDerWaalsContact CA-O 3.3Å; T148-K242 WeakPolarHBondContact CA-O 3.43Å; T148-K242 HydrophobicContact CG2-CB 4.45Å; V149-K242 PolarHBondContact N-O 3.43Å
243	F	98.7	Very high	98.3	Very high	38 Å²	38	56.1 Å²	56.1	17%	0.167	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.8	175.8	-78.4	-105.6	0	0	0	110.2	S129 A137 V149 L154 A235 M236 A241	S129-F243 WeakPolarHBondContact OG-CE1 3.49Å; A137-F243 HydrophobicContact CB-CZ 4.38Å; V149-F243 HydrophobicContact CB-CD1 3.81Å; V149-F243 HydrophobicContact CB-CE1 3.72Å; V149-F243 HydrophobicContact CB-CG 4.26Å; V149-F243 HydrophobicContact CB-CZ 4.09Å; V149-F243 HydrophobicContact CG1-CD1 4.1Å; V149-F243 HydrophobicContact CG1-CE1 3.81Å; V149-F243 HydrophobicContact CG1-CZ 4.47Å; V149-F243 HydrophobicContact CG2-CD1 4.37Å; V149-F243 HydrophobicContact CG2-CE1 3.89Å; V149-F243 HydrophobicContact CG2-CE2 4.11Å; V149-F243 HydrophobicContact CG2-CZ 3.73Å; V149-F243 WeakPolarHBondContact O-CA 3.41Å; L154-F243 HydrophobicContact CD1-CB 4.47Å; L154-F243 HydrophobicContact CD2-CD1 4.05Å; A235-F243 HydrophobicContact CB-CE2 3.9Å; A235-F243 HydrophobicContact CB-CZ 3.57Å; M236-F243 HydrophobicContact CB-CD2 4.36Å; M236-F243 HydrophobicContact CB-CE2 4.38Å; M236-F243 HydrophobicContact CE-CB 3.8Å; M236-F243 HydrophobicContact CE-CD1 3.53Å; M236-F243 HydrophobicContact CE-CD2 4.28Å; M236-F243 HydrophobicContact CE-CE1 4.17Å; M236-F243 HydrophobicContact CE-CG 3.59Å; M236-F243 HydrophobicContact CG-CB 4.42Å; M236-F243 HydrophobicContact CG-CD1 4.21Å; M236-F243 HydrophobicContact CG-CD2 3.42Å; M236-F243 VanDerWaalsContact CG-CD2 3.42Å; M236-F243 HydrophobicContact CG-CE1 4.36Å; M236-F243 HydrophobicContact CG-CE2 3.61Å; M236-F243 HydrophobicContact CG-CG 3.75Å; M236-F243 HydrophobicContact CG-CZ 4.1Å; A241-F243 HydrophobicContact CB-CE2 4.09Å
244	I	98.6	Very high	98.1	Very high	20 Å²	20	54 Å²	54	10%	0.103	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.5	176	-59.4	177.3	0	0	0	107.5	T148 V149 I150 E151 G246 Y263	T148-I244 HydrophobicContact CG2-CD1 3.61Å; T148-I244 HydrophobicContact CG2-CG1 4.01Å; V149-I244 PolarHBondContact O-N 2.9Å; I150-I244 WeakPolarHBondContact CA-O 3.21Å; I150-I244 HydrophobicContact CG1-CB 4.34Å; E151-I244 PolarHBondContact N-O 3.05Å; I244-G246 PolarHBondContact O-N 3.02Å; I244-Y263 HydrophobicContact CG2-CD2 4.35Å; I244-Y263 HydrophobicContact CG2-CE2 3.67Å
245	E	98.7	Very high	97.7	Very high	44 Å²	44	62.5 Å²	62.5	21%	0.206	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	110.5	169.6	-152.9	173.9	-170.4	0	0	109.2	E151 D153 L154 K266	E151-E245 CarbonylContact O-C 3.53Å; E151-E245 VanDerWaalsContact O-CA 3.31Å; E151-E245 WeakPolarHBondContact O-CA 3.43Å; D153-E245 WeakPolarHBondContact CA-OE1 3.41Å; L154-E245 HydrophobicContact CB-CG 4.32Å; L154-E245 HydrophobicContact CD1-CB 3.92Å; L154-E245 HydrophobicContact CD1-CG 4.18Å; L154-E245 HydrophobicContact CG-CB 4.27Å; L154-E245 HydrophobicContact CG-CG 3.99Å; L154-E245 PolarHBondContact N-OE1 2.78Å; E245-K266 HydrophobicContact CB-CB 4.28Å; E245-K266 HydrophobicContact CB-CD 4.31Å; E245-K266 HydrophobicContact CG-CB 4.29Å; E245-K266 HydrophobicContact CG-CD 3.53Å; E245-K266 VanDerWaalsContact O-CB 3.23Å; E245-K266 WeakPolarHBondContact O-CB 3.38Å; E245-K266 PolarHBondContact O-N 2.81Å; E245-K266 IonicContact OE1-NZ 3.92Å; E245-K266 PolarHBondContact OE1-NZ 3.44Å; E245-K266 IonicContact OE2-NZ 3.01Å
246	G	98.4	Very high	97.3	Very high	2 Å²	2	67.9 Å²	67.9	2%	0.021	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.4	160.7	-171.9	0	0	0	0	0	112.7	I150 E151 R152 I244 K264	I150-G246 WeakPolarHBondContact CG2-O 3.25Å; E151-G246 CarbonylContact C-O 3.47Å; E151-G246 PolarHBondContact O-N 2.84Å; E151-G246 VanDerWaalsContact O-O 3.12Å; R152-G246 VanDerWaalsContact CA-O 3.28Å; R152-G246 WeakPolarHBondContact CA-O 3.36Å; R152-G246 PolarHBondContact N-O 3.04Å; R152-G246 VanDerWaalsContact N-O 3.16Å; I244-G246 PolarHBondContact O-N 3.02Å; G246-K264 CarbonylContact C-O 3.6Å; G246-K264 WeakPolarHBondContact CA-O 3.42Å
247	T	98.6	Very high	97.1	Very high	54 Å²	54	65.3 Å²	65.3	33%	0.331	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	113.6	178	-59.8	0	0	0	0	109.9	L249 Y263 K264	T247-L249 HydrophobicContact CG2-CD2 4.27Å; T247-L249 PolarHBondContact O-N 3.38Å; T247-Y263 WeakPolarHBondContact O-CA 3.44Å; T247-K264 PolarHBondContact N-O 3Å; T247-K264 PolarHBondContact O-N 2.98Å
248	V	98.6	Very high	97.1	Very high	10 Å²	10	61.6 Å²	61.6	6%	0.061	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	129.7	171.3	-175.8	0	0	0	0	109.6	V127 I150 V261 F289	V127-V248 HydrophobicContact CB-CG2 4.36Å; V127-V248 HydrophobicContact CG1-CB 3.79Å; V127-V248 HydrophobicContact CG1-CG1 4.25Å; V127-V248 HydrophobicContact CG1-CG2 3.66Å; V127-V248 HydrophobicContact CG2-CG1 4.37Å; V127-V248 HydrophobicContact CG2-CG2 4.06Å; I150-V248 HydrophobicContact CB-CG2 3.88Å; I150-V248 HydrophobicContact CD1-CG2 4.07Å; I150-V248 HydrophobicContact CG2-CG2 3.68Å; V248-V261 HydrophobicContact CG1-CB 3.86Å; V248-V261 HydrophobicContact CG1-CG1 4.15Å; V248-F289 HydrophobicContact CB-CE2 4.36Å; V248-F289 HydrophobicContact CB-CZ 4.06Å; V248-F289 HydrophobicContact CG1-CE1 4.33Å; V248-F289 HydrophobicContact CG1-CE2 4.16Å; V248-F289 HydrophobicContact CG1-CZ 3.6Å
249	L	98.3	Very high	97	Very high	70 Å²	70	61.1 Å²	61.1	37%	0.366	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-43.3	-176.1	-57.4	-178.6	0	0	0	111.1	T247 Q262 K264 I271	T247-L249 HydrophobicContact CG2-CD2 4.27Å; T247-L249 PolarHBondContact O-N 3.38Å; L249-Q262 PolarHBondContact N-O 3.13Å; L249-K264 HydrophobicContact CD1-CB 4.21Å; L249-K264 HydrophobicContact CG-CB 4.47Å; L249-I271 HydrophobicContact CD1-CD1 4.28Å; L249-I271 HydrophobicContact CD1-CG1 4.35Å
250	Q	98	Very high	97	Very high	112 Å²	112	55.5 Å²	55.5	52%	0.523	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	152.7	-173.3	-60.7	-175	-1.2	0	0	111.2	V261 Q262	Q250-V261 WeakPolarHBondContact O-CA 3.45Å; Q250-Q262 HydrophobicContact CB-CB 4.34Å; Q250-Q262 PolarHBondContact N-O 2.6Å; Q250-Q262 PolarHBondContact O-N 3.09Å
251	L	98.3	Very high	97	Very high	18 Å²	18	52.6 Å²	52.6	9%	0.094	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	130.7	164.2	-58.6	-179.1	0	0	0	107.4	V258 V261 T279 V281 F289 L293	L251-V258 HydrophobicContact CB-CG1 4.27Å; L251-V258 HydrophobicContact CD1-CG2 4.4Å; L251-V261 HydrophobicContact CD2-CG1 3.97Å; L251-T279 HydrophobicContact CD2-CG2 4.2Å; L251-V281 HydrophobicContact CD1-CG2 4.33Å; L251-V281 HydrophobicContact CD2-CG2 4.13Å; L251-F289 HydrophobicContact CD1-CB 4.22Å; L251-F289 HydrophobicContact CD1-CD1 4.3Å; L251-F289 HydrophobicContact CD1-CG 4.44Å; L251-F289 HydrophobicContact CD2-CD1 4.23Å; L251-F289 HydrophobicContact CD2-CG 4.45Å; L251-F289 HydrophobicContact CG-CD1 3.8Å; L251-F289 HydrophobicContact CG-CE1 4.33Å; L251-F289 HydrophobicContact CG-CG 4.28Å; L251-L293 HydrophobicContact CD1-CD1 4.23Å; L251-L293 HydrophobicContact CD1-CD2 4.34Å; L251-L293 HydrophobicContact CD1-CG 4.5Å
252	L	97.8	Very high	97	Very high	23 Å²	23	53.6 Å²	53.6	12%	0.12	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	129.5	175.4	-60.7	174.6	0	0	0	108.1	V258 V259 G260 Q262 E273	L252-V258 CarbonylContact O-C 3.57Å; L252-V258 WeakPolarHBondContact O-CA 3.42Å; L252-V259 HydrophobicContact CB-CG2 3.99Å; L252-V259 PolarHBondContact O-N 2.72Å; L252-G260 PolarHBondContact N-O 3.19Å; L252-Q262 HydrophobicContact CD2-CB 4.09Å; L252-E273 HydrophobicContact CD1-CB 3.88Å; L252-E273 HydrophobicContact CD1-CG 3.92Å; L252-E273 HydrophobicContact CD2-CG 4.39Å
253	E	96	Very high	97	Very high	89 Å²	89	48.1 Å²	48.1	42%	0.416	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	129.5	-174.3	-62.7	-175.9	-176	0	0	111.2	C257 V258 K398	E253-C257 CarbonylContact C-O 3.52Å; E253-C257 VanDerWaalsContact CA-O 3.22Å; E253-C257 WeakPolarHBondContact CA-O 3.32Å; E253-V258 HydrophobicContact CG-CG2 4.06Å; E253-K398 VanDerWaalsContact CD-CE 3.41Å; E253-K398 VanDerWaalsContact CD-NZ 3.26Å; E253-K398 IonicContact OE1-NZ 3.95Å; E253-K398 VanDerWaalsContact OE2-CE 3.31Å; E253-K398 WeakPolarHBondContact OE2-CE 3.24Å; E253-K398 IonicContact OE2-NZ 2.88Å; E253-K398 PolarHBondContact OE2-NZ 3Å
254	E	94.3	Very high	97	Very high	113 Å²	113	51.4 Å²	51.4	53%	0.528	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	129.1	173.3	-67.3	179.9	-175.6	0	0	108.5	D256 C257 V259	E254-D256 VanDerWaalsContact C-N 3.25Å; E254-D256 PolarHBondContact O-N 3.25Å; E254-D256 VanDerWaalsContact O-N 3.12Å; E254-C257 PolarHBondContact N-O 2.96Å; E254-C257 WeakPolarHBondContact O-CA 3.48Å; E254-C257 WeakPolarHBondContact O-CB 3.43Å; E254-C257 PolarHBondContact O-N 3.12Å; E254-V259 HydrophobicContact CB-CG1 4Å; E254-V259 HydrophobicContact CB-CG2 4.41Å; E254-V259 HydrophobicContact CG-CG1 4.29Å; E254-V259 HydrophobicContact CG-CG2 3.88Å
255	E	90.6	Very high	97	Very high	199 Å²	199	51.3 Å²	51.3	93%	0.93	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	41.3	178.4	-57.2	-172.4	172.2	0	0	114.7	C257	E255-C257 PolarHBondContact O-N 3.16Å
256	D	89.6	Confident	96.9	Very high	113 Å²	113	53.9 Å²	53.9	60%	0.604	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	13.9	-176.6	-159.4	43	0	0	0	115	E254 K398	E254-D256 VanDerWaalsContact C-N 3.25Å; E254-D256 PolarHBondContact O-N 3.25Å; E254-D256 VanDerWaalsContact O-N 3.12Å; D256-K398 VanDerWaalsContact O-CD 3.31Å; D256-K398 WeakPolarHBondContact O-CD 3.18Å; D256-K398 WeakPolarHBondContact O-CE 3.39Å; D256-K398 IonicContact OD1-NZ 3.49Å; D256-K398 PolarHBondContact OD1-NZ 3.21Å
257	C	95.1	Very high	96.8	Very high	28 Å²	28	62.2 Å²	62.2	19%	0.189	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136	172.2	-169.7	0	0	0	0	110.9	E253 E254 E255 V259 K399	E253-C257 CarbonylContact C-O 3.52Å; E253-C257 VanDerWaalsContact CA-O 3.22Å; E253-C257 WeakPolarHBondContact CA-O 3.32Å; E254-C257 PolarHBondContact N-O 2.96Å; E254-C257 WeakPolarHBondContact O-CA 3.48Å; E254-C257 WeakPolarHBondContact O-CB 3.43Å; E254-C257 PolarHBondContact O-N 3.12Å; E255-C257 PolarHBondContact O-N 3.16Å; C257-V259 PolarHBondContact O-N 3.19Å; C257-K399 HydrophobicContact CB-CB 4.07Å; C257-K399 VanDerWaalsContact SG-CB 3.56Å
258	V	97.4	Very high	96.7	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	120.2	171.9	175.3	0	0	0	0	108.8	L251 L252 E253 K398 K399 G400 V401	L251-V258 HydrophobicContact CB-CG1 4.27Å; L251-V258 HydrophobicContact CD1-CG2 4.4Å; L252-V258 CarbonylContact O-C 3.57Å; L252-V258 WeakPolarHBondContact O-CA 3.42Å; E253-V258 HydrophobicContact CG-CG2 4.06Å; V258-K398 HydrophobicContact CG2-CG 3.9Å; V258-K399 PolarHBondContact N-O 3.48Å; V258-G400 WeakPolarHBondContact O-CA 3.39Å; V258-V401 HydrophobicContact CB-CB 3.88Å; V258-V401 HydrophobicContact CB-CG1 4.24Å; V258-V401 HydrophobicContact CG1-CB 4.21Å; V258-V401 HydrophobicContact CG2-CB 3.8Å; V258-V401 HydrophobicContact CG2-CG1 3.72Å; V258-V401 HydrophobicContact CG2-CG2 4.49Å
259	V	97	Very high	96.6	Very high	23 Å²	23	64.3 Å²	64.3	14%	0.139	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-3.7	-176.6	-63	0	0	0	0	113.3	L252 E254 C257 H275 A276	L252-V259 HydrophobicContact CB-CG2 3.99Å; L252-V259 PolarHBondContact O-N 2.72Å; E254-V259 HydrophobicContact CB-CG1 4Å; E254-V259 HydrophobicContact CB-CG2 4.41Å; E254-V259 HydrophobicContact CG-CG1 4.29Å; E254-V259 HydrophobicContact CG-CG2 3.88Å; C257-V259 PolarHBondContact O-N 3.19Å; V259-H275 VanDerWaalsContact O-CA 3.26Å; V259-H275 WeakPolarHBondContact O-CA 3.18Å; V259-A276 CarbonylContact C-O 3.49Å; V259-A276 PolarHBondContact O-N 3.47Å; V259-A276 VanDerWaalsContact O-O 3.13Å
260	G	97.6	Very high	96.6	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165	-159.3	-177.7	0	0	0	0	0	114.3	L252 L274	L252-G260 PolarHBondContact N-O 3.19Å; G260-L274 CarbonylContact C-O 3.55Å; G260-L274 WeakPolarHBondContact CA-O 3.29Å
261	V	98.6	Very high	96.6	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	147.3	-179.9	-56.7	0	0	0	0	112	I125 V127 I150 V248 Q250 L251 Y263 E273 L274 T279	I125-V261 HydrophobicContact CD1-CG2 4.24Å; I125-V261 HydrophobicContact CG2-CG1 4.08Å; I125-V261 HydrophobicContact CG2-CG2 3.86Å; V127-V261 HydrophobicContact CG2-CG1 3.99Å; I150-V261 HydrophobicContact CD1-CG2 3.69Å; V248-V261 HydrophobicContact CG1-CB 3.86Å; V248-V261 HydrophobicContact CG1-CG1 4.15Å; Q250-V261 WeakPolarHBondContact O-CA 3.45Å; L251-V261 HydrophobicContact CD2-CG1 3.97Å; V261-Y263 HydrophobicContact CG2-CD1 4.5Å; V261-E273 WeakPolarHBondContact O-CA 3.01Å; V261-L274 HydrophobicContact CG2-CB 4.34Å; V261-L274 PolarHBondContact N-O 3.19Å; V261-L274 PolarHBondContact O-N 3.34Å; V261-T279 HydrophobicContact CG1-CG2 3.69Å
262	Q	98.5	Very high	96.6	Very high	38 Å²	38	67.2 Å²	67.2	18%	0.178	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	129.9	164.3	-170.9	-178	83.7	0	0	108.8	L249 Q250 L252 I271 K272 E273	L249-Q262 PolarHBondContact N-O 3.13Å; Q250-Q262 HydrophobicContact CB-CB 4.34Å; Q250-Q262 PolarHBondContact N-O 2.6Å; Q250-Q262 PolarHBondContact O-N 3.09Å; L252-Q262 HydrophobicContact CD2-CB 4.09Å; Q262-I271 VanDerWaalsContact CD-CG2 3.48Å; Q262-I271 HydrophobicContact CG-CG2 3.42Å; Q262-I271 VanDerWaalsContact CG-CG2 3.42Å; Q262-K272 WeakPolarHBondContact CA-O 3.33Å; Q262-E273 HydrophobicContact CB-CG 4.2Å; Q262-E273 HydrophobicContact CG-CG 4.02Å; Q262-E273 PolarHBondContact NE2-OE1 3.16Å; Q262-E273 VanDerWaalsContact NE2-OE1 3.12Å
263	Y	98.6	Very high	96.6	Very high	16 Å²	16	71.2 Å²	71.2	6%	0.063	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	153.5	-177.9	72.3	-81.1	0	0	0	112	I150 I244 T247 V261 D265 I271 K272 L274	I150-Y263 HydrophobicContact CD1-CD1 3.72Å; I150-Y263 HydrophobicContact CD1-CD2 4.43Å; I150-Y263 HydrophobicContact CD1-CE1 4.18Å; I150-Y263 HydrophobicContact CD1-CG 3.85Å; I150-Y263 HydrophobicContact CG2-CD2 4.38Å; I150-Y263 HydrophobicContact CG2-CG 4.43Å; I244-Y263 HydrophobicContact CG2-CD2 4.35Å; I244-Y263 HydrophobicContact CG2-CE2 3.67Å; T247-Y263 WeakPolarHBondContact O-CA 3.44Å; V261-Y263 HydrophobicContact CG2-CD1 4.5Å; Y263-D265 HydrophobicContact CE2-CB 4.24Å; Y263-I271 WeakPolarHBondContact O-CA 3.33Å; Y263-K272 HydrophobicContact CD1-CB 4.36Å; Y263-K272 WeakPolarHBondContact CD1-O 3.37Å; Y263-K272 HydrophobicContact CE1-CB 3.74Å; Y263-K272 HydrophobicContact CE2-CB 4.31Å; Y263-K272 HydrophobicContact CE2-CD 4.41Å; Y263-K272 PolarHBondContact N-O 2.94Å; Y263-K272 PolarHBondContact O-N 3.37Å; Y263-L274 HydrophobicContact CE1-CB 4.13Å
264	K	98.6	Very high	96.7	Very high	107 Å²	107	68.5 Å²	68.5	47%	0.465	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	116.8	169.4	-172	176.8	-176.6	177.1	0	109.4	G246 T247 L249 G269 D270	G246-K264 CarbonylContact C-O 3.6Å; G246-K264 WeakPolarHBondContact CA-O 3.42Å; T247-K264 PolarHBondContact N-O 3Å; T247-K264 PolarHBondContact O-N 2.98Å; L249-K264 HydrophobicContact CD1-CB 4.21Å; L249-K264 HydrophobicContact CG-CB 4.47Å; K264-G269 WeakPolarHBondContact CE-O 3.32Å; K264-D270 WeakPolarHBondContact CA-O 3.44Å
265	D	98.3	Very high	96.9	Very high	17 Å²	17	65.1 Å²	65.1	9%	0.091	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	135.5	174.2	-169.4	-68	0	0	0	110.2	Y263 E267 T268 G269 D270 K272	Y263-D265 HydrophobicContact CE2-CB 4.24Å; D265-E267 PolarHBondContact OD1-N 2.89Å; D265-T268 PolarHBondContact OD1-N 2.83Å; D265-G269 WeakPolarHBondContact O-CA 3.32Å; D265-G269 PolarHBondContact O-N 3.44Å; D265-G269 VanDerWaalsContact O-N 3.09Å; D265-D270 PolarHBondContact N-O 2.78Å; D265-K272 HydrophobicContact CB-CD 4.34Å; D265-K272 IonicContact OD2-NZ 3.28Å; D265-K272 PolarHBondContact OD2-NZ 3.12Å
266	K	97.3	Very high	97.2	Very high	99 Å²	99	55.7 Å²	55.7	43%	0.43	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-33	-177.5	-170.6	176.4	-178.7	171.4	0	112.8	R152 D153 E245	R152-K266 PolarHBondContact O-NZ 3.11Å; D153-K266 IonicContact OD1-NZ 2.69Å; D153-K266 PolarHBondContact OD1-NZ 3.17Å; E245-K266 HydrophobicContact CB-CB 4.28Å; E245-K266 HydrophobicContact CB-CD 4.31Å; E245-K266 HydrophobicContact CG-CB 4.29Å; E245-K266 HydrophobicContact CG-CD 3.53Å; E245-K266 VanDerWaalsContact O-CB 3.23Å; E245-K266 WeakPolarHBondContact O-CB 3.38Å; E245-K266 PolarHBondContact O-N 2.81Å; E245-K266 IonicContact OE1-NZ 3.92Å; E245-K266 PolarHBondContact OE1-NZ 3.44Å; E245-K266 IonicContact OE2-NZ 3.01Å
267	E	95.4	Very high	97.5	Very high	177 Å²	177	51 Å²	51	83%	0.827	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-49.7	-177.1	-64.7	-172.2	166.5	0	0	110.9	D265	D265-E267 PolarHBondContact OD1-N 2.89Å
268	T	96.6	Very high	97.7	Very high	74 Å²	74	49.7 Å²	49.7	45%	0.454	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-24.9	-176.5	77.2	0	0	0	0	112.9	D265 D270	D265-T268 PolarHBondContact OD1-N 2.83Å; T268-D270 WeakPolarHBondContact CB-OD2 3.33Å; T268-D270 PolarHBondContact O-N 3.08Å; T268-D270 WeakPolarHBondContact OG1-CB 3.22Å; T268-D270 VanDerWaalsContact OG1-CG 3.23Å; T268-D270 PolarHBondContact OG1-N 2.97Å; T268-D270 PolarHBondContact OG1-OD2 2.97Å
269	G	96.7	Very high	97.8	Very high	33 Å²	33	49.7 Å²	49.7	34%	0.34	25%	0.251	S	S	.	.			trans	78.3	-2.6	-174.6	0	0	0	0	0	114.3	K264 D265	K264-G269 WeakPolarHBondContact CE-O 3.32Å; D265-G269 WeakPolarHBondContact O-CA 3.32Å; D265-G269 PolarHBondContact O-N 3.44Å; D265-G269 VanDerWaalsContact O-N 3.09Å
270	D	97.9	Very high	97.8	Very high	89 Å²	89	48.6 Å²	48.6	48%	0.476	24%	0.244	S	C	.	.			trans	-71.6	150.7	-179	-57.4	-44.6	0	0	0	111.7	K264 D265 T268 K272	K264-D270 WeakPolarHBondContact CA-O 3.44Å; D265-D270 PolarHBondContact N-O 2.78Å; T268-D270 WeakPolarHBondContact CB-OD2 3.33Å; T268-D270 PolarHBondContact O-N 3.08Å; T268-D270 WeakPolarHBondContact OG1-CB 3.22Å; T268-D270 VanDerWaalsContact OG1-CG 3.23Å; T268-D270 PolarHBondContact OG1-N 2.97Å; T268-D270 PolarHBondContact OG1-OD2 2.97Å; D270-K272 HydrophobicContact CB-CG 4.26Å
271	I	98.4	Very high	97.9	Very high	104 Å²	104	48.6 Å²	48.6	53%	0.533	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	119	168.1	-60.4	177.5	0	0	0	107.4	L249 Q262 Y263	L249-I271 HydrophobicContact CD1-CD1 4.28Å; L249-I271 HydrophobicContact CD1-CG1 4.35Å; Q262-I271 VanDerWaalsContact CD-CG2 3.48Å; Q262-I271 HydrophobicContact CG-CG2 3.42Å; Q262-I271 VanDerWaalsContact CG-CG2 3.42Å; Y263-I271 WeakPolarHBondContact O-CA 3.33Å
272	K	98.1	Very high	97.9	Very high	68 Å²	68	49 Å²	49	30%	0.296	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	155	-177.8	-61.1	176	-170.8	167.7	0	109.7	Q262 Y263 D265 D270	Q262-K272 WeakPolarHBondContact CA-O 3.33Å; Y263-K272 HydrophobicContact CD1-CB 4.36Å; Y263-K272 WeakPolarHBondContact CD1-O 3.37Å; Y263-K272 HydrophobicContact CE1-CB 3.74Å; Y263-K272 HydrophobicContact CE2-CB 4.31Å; Y263-K272 HydrophobicContact CE2-CD 4.41Å; Y263-K272 PolarHBondContact N-O 2.94Å; Y263-K272 PolarHBondContact O-N 3.37Å; D265-K272 HydrophobicContact CB-CD 4.34Å; D265-K272 IonicContact OD2-NZ 3.28Å; D265-K272 PolarHBondContact OD2-NZ 3.12Å; D270-K272 HydrophobicContact CB-CG 4.26Å
273	E	98.1	Very high	97.9	Very high	107 Å²	107	49.5 Å²	49.5	50%	0.5	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	145.3	174.3	-69.2	-179.5	180	0	0	109.8	L252 V261 Q262 H275	L252-E273 HydrophobicContact CD1-CB 3.88Å; L252-E273 HydrophobicContact CD1-CG 3.92Å; L252-E273 HydrophobicContact CD2-CG 4.39Å; V261-E273 WeakPolarHBondContact O-CA 3.01Å; Q262-E273 HydrophobicContact CB-CG 4.2Å; Q262-E273 HydrophobicContact CG-CG 4.02Å; Q262-E273 PolarHBondContact NE2-OE1 3.16Å; Q262-E273 VanDerWaalsContact NE2-OE1 3.12Å; E273-H275 IonicContact OE2-CE1 3.78Å
274	L	98.1	Very high	97.7	Very high	32 Å²	32	49.7 Å²	49.7	17%	0.168	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	126.9	176.2	-169.7	66.6	0	0	0	108.4	P122 I125 T148 I150 G260 V261 Y263	P122-L274 HydrophobicContact CG-CD2 4.16Å; P122-L274 HydrophobicContact CG-CG 4.39Å; I125-L274 HydrophobicContact CD1-CB 3.98Å; I125-L274 HydrophobicContact CD1-CD2 3.89Å; I125-L274 HydrophobicContact CD1-CG 3.69Å; I125-L274 VanDerWaalsContact CD1-O 3.26Å; I125-L274 WeakPolarHBondContact CD1-O 3.26Å; I125-L274 HydrophobicContact CG1-CD2 3.91Å; I125-L274 HydrophobicContact CG1-CG 4.21Å; T148-L274 HydrophobicContact CG2-CD2 3.73Å; I150-L274 HydrophobicContact CD1-CD2 4.41Å; G260-L274 CarbonylContact C-O 3.55Å; G260-L274 WeakPolarHBondContact CA-O 3.29Å; V261-L274 HydrophobicContact CG2-CB 4.34Å; V261-L274 PolarHBondContact N-O 3.19Å; V261-L274 PolarHBondContact O-N 3.34Å; Y263-L274 HydrophobicContact CE1-CB 4.13Å
275	H	98.1	Very high	97.6	Very high	43 Å²	43	46 Å²	46	20%	0.199	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	146.6	-176.8	-66.8	81.5	0	0	0	110.4	Y120 V259 E273	Y120-H275 WeakPolarHBondContact CB-O 3.37Å; Y120-H275 HydrophobicContact CD1-CB 3.63Å; Y120-H275 HydrophobicContact CD2-CB 3.81Å; Y120-H275 HydrophobicContact CE1-CB 3.73Å; Y120-H275 HydrophobicContact CE2-CB 3.94Å; Y120-H275 HydrophobicContact CG-CB 3.7Å; V259-H275 VanDerWaalsContact O-CA 3.26Å; V259-H275 WeakPolarHBondContact O-CA 3.18Å; E273-H275 IonicContact OE2-CE1 3.78Å
276	A	97.6	Very high	97.5	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.008	27%	0.268	C	S	.	.			trans	-162.3	149.7	175.5	0	0	0	0	0	109.9	P122 I125 V259 L278	P122-A276 HydrophobicContact CG-CB 4.32Å; P122-A276 VanDerWaalsContact O-CB 3.26Å; P122-A276 WeakPolarHBondContact O-CB 3.34Å; I125-A276 HydrophobicContact CB-CB 4.43Å; I125-A276 HydrophobicContact CD1-CB 3.59Å; I125-A276 HydrophobicContact CG1-CB 3.6Å; V259-A276 CarbonylContact C-O 3.49Å; V259-A276 PolarHBondContact O-N 3.47Å; V259-A276 VanDerWaalsContact O-O 3.13Å; A276-L278 PolarHBondContact O-N 3.49Å
277	P	96.6	Very high	97.5	Very high	15 Å²	15	47.7 Å²	47.7	10%	0.097	25%	0.252	C	S	.	.	S	Bend	trans	-61.9	-27.7	175.3	23	-31.9	0	0	0	113.2	E123 G400 L439 Y440	E123-P277 VanDerWaalsContact O-CD 3.27Å; E123-P277 WeakPolarHBondContact O-CD 3.22Å; E123-P277 VanDerWaalsContact O-CG 3.28Å; E123-P277 WeakPolarHBondContact O-CG 3.49Å; P277-G400 WeakPolarHBondContact O-CA 3.27Å; P277-L439 HydrophobicContact CB-CB 3.93Å; P277-L439 HydrophobicContact CG-CB 3.89Å; P277-Y440 HydrophobicContact CB-CD1 3.84Å; P277-Y440 HydrophobicContact CB-CD2 3.82Å; P277-Y440 HydrophobicContact CB-CE1 3.82Å; P277-Y440 HydrophobicContact CB-CE2 3.77Å; P277-Y440 HydrophobicContact CB-CG 3.84Å; P277-Y440 HydrophobicContact CG-CD2 4.15Å; P277-Y440 HydrophobicContact CG-CE2 3.77Å
278	L	98.3	Very high	97.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	122	179.3	-169	64.6	0	0	0	112.7	E123 I124 I125 A276 L402 L433 L439 I445	E123-L278 PolarHBondContact O-N 3.5Å; I124-L278 WeakPolarHBondContact CA-O 3.41Å; I124-L278 HydrophobicContact CG1-CB 4.45Å; I125-L278 PolarHBondContact N-O 3.15Å; A276-L278 PolarHBondContact O-N 3.49Å; L278-L402 HydrophobicContact CD1-CD2 4.47Å; L278-L402 HydrophobicContact CD1-CG 4.01Å; L278-L402 HydrophobicContact CD2-CD1 4.17Å; L278-L402 HydrophobicContact CD2-CG 4.48Å; L278-L433 HydrophobicContact CD2-CD1 4.41Å; L278-L433 HydrophobicContact CD2-CD2 4.09Å; L278-L439 HydrophobicContact CB-CB 4.5Å; L278-L439 HydrophobicContact CB-CD1 4.17Å; L278-L439 HydrophobicContact CD2-CD1 4.37Å; L278-I445 HydrophobicContact CD1-CG2 4.48Å
279	T	98.7	Very high	97.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.6	170.5	-61.4	0	0	0	0	110.8	I125 V127 L251 V261 G400 V401 L402	I125-T279 CarbonylContact O-C 3.37Å; I125-T279 WeakPolarHBondContact O-CA 3.37Å; V127-T279 HydrophobicContact CG2-CG2 4.1Å; L251-T279 HydrophobicContact CD2-CG2 4.2Å; V261-T279 HydrophobicContact CG1-CG2 3.69Å; T279-G400 PolarHBondContact N-O 3.14Å; T279-V401 CarbonylContact O-C 3.59Å; T279-V401 WeakPolarHBondContact O-CA 3.35Å; T279-V401 WeakPolarHBondContact O-CG2 3.43Å; T279-L402 PolarHBondContact O-N 2.86Å
280	V	98.9	Very high	97.5	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	112.1	175.4	-174.8	0	0	0	0	109.7	I124 I125 I126 V127 L132 L136 L402 L404	I124-V280 HydrophobicContact CG2-CG2 4Å; I125-V280 PolarHBondContact O-N 2.71Å; I126-V280 WeakPolarHBondContact CA-O 3.46Å; I126-V280 HydrophobicContact CG1-CB 4.26Å; V127-V280 PolarHBondContact N-O 3.24Å; L132-V280 HydrophobicContact CD2-CG1 4.33Å; L136-V280 HydrophobicContact CD2-CB 4.41Å; L136-V280 HydrophobicContact CD2-CG1 3.86Å; L136-V280 HydrophobicContact CD2-CG2 4.21Å; V280-L402 CarbonylContact C-O 3.44Å; V280-L402 WeakPolarHBondContact CA-O 3.36Å; V280-L402 HydrophobicContact CG1-CB 4.34Å; V280-L402 HydrophobicContact CG2-CB 4.29Å; V280-L402 HydrophobicContact CG2-CD1 4.22Å; V280-L402 HydrophobicContact CG2-CG 4.49Å; V280-L404 HydrophobicContact CG1-CD1 3.88Å; V280-L404 HydrophobicContact CG1-CG 4.32Å
281	V	98.8	Very high	97.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	114.8	175.1	-179.1	0	0	0	0	110	L251 D283 F289 L293 V401 L402 L403 L404	L251-V281 HydrophobicContact CD1-CG2 4.33Å; L251-V281 HydrophobicContact CD2-CG2 4.13Å; V281-D283 VanDerWaalsContact CG1-OD1 3.32Å; V281-D283 WeakPolarHBondContact CG1-OD1 3.38Å; V281-F289 HydrophobicContact CG1-CB 4.06Å; V281-F289 HydrophobicContact CG1-CD2 3.93Å; V281-F289 HydrophobicContact CG1-CG 4.41Å; V281-F289 HydrophobicContact CG2-CB 4.49Å; V281-L293 HydrophobicContact CB-CD1 4.49Å; V281-L293 HydrophobicContact CG2-CD1 4.11Å; V281-V401 HydrophobicContact CG2-CG2 4Å; V281-L402 PolarHBondContact N-O 2.66Å; V281-L403 HydrophobicContact CB-CD1 3.71Å; V281-L403 HydrophobicContact CG1-CD1 3.53Å; V281-L404 PolarHBondContact O-N 3.28Å
282	A	98.5	Very high	97	Very high	9 Å²	9	47.4 Å²	47.4	7%	0.074	23%	0.229	C	C	.	.			trans	-133.8	29.2	-174.9	0	0	0	0	0	112.8	I126 V127 L132 G284	I126-A282 HydrophobicContact CG2-CB 4.4Å; V127-A282 CarbonylContact O-C 3.08Å; V127-A282 VanDerWaalsContact O-CA 3.24Å; V127-A282 WeakPolarHBondContact O-CA 3.48Å; V127-A282 WeakPolarHBondContact O-CB 3.41Å; V127-A282 PolarHBondContact O-N 3.09Å; L132-A282 HydrophobicContact CB-CB 4.44Å; L132-A282 HydrophobicContact CD2-CB 3.39Å; A282-G284 PolarHBondContact O-N 2.84Å; A282-G284 VanDerWaalsContact O-N 3.13Å
283	D	97.7	Very high	96.8	Very high	48 Å²	48	44.9 Å²	44.9	26%	0.257	22%	0.219	S	C	.	.			trans	-78.9	10.3	-172.3	64.4	-22.6	0	0	0	114.9	V127 V281 S287 K288 F289 A407	V127-D283 HydrophobicContact CG1-CB 4.46Å; V127-D283 PolarHBondContact O-N 3.02Å; V281-D283 VanDerWaalsContact CG1-OD1 3.32Å; V281-D283 WeakPolarHBondContact CG1-OD1 3.38Å; D283-S287 VanDerWaalsContact CG-CA 3.5Å; D283-S287 VanDerWaalsContact CG-OG 3.25Å; D283-S287 WeakPolarHBondContact OD1-CA 3.04Å; D283-S287 WeakPolarHBondContact OD1-CB 3.17Å; D283-S287 PolarHBondContact OD1-OG 3.16Å; D283-S287 WeakPolarHBondContact OD2-CA 3.39Å; D283-S287 PolarHBondContact OD2-OG 2.85Å; D283-K288 PolarHBondContact OD2-N 3.44Å; D283-F289 WeakPolarHBondContact OD2-CD2 3.41Å; D283-A407 WeakPolarHBondContact OD1-CB 3.48Å
284	G	96	Very high	96.6	Very high	20 Å²	20	40.3 Å²	40.3	21%	0.206	20%	0.198	C	C	.	.			trans	79.1	-160.8	166	0	0	0	0	0	115.8	A282 F286 S287 R290 D406 A407	A282-G284 PolarHBondContact O-N 2.84Å; A282-G284 VanDerWaalsContact O-N 3.13Å; G284-F286 VanDerWaalsContact C-N 3.26Å; G284-F286 PolarHBondContact O-N 2.9Å; G284-S287 WeakPolarHBondContact O-CB 3.5Å; G284-S287 PolarHBondContact O-N 3.49Å; G284-S287 VanDerWaalsContact O-N 3.09Å; G284-R290 PolarHBondContact O-NH2 2.64Å; G284-D406 CarbonylContact O-C 3.56Å; G284-A407 WeakPolarHBondContact O-CA 3.39Å; G284-A407 PolarHBondContact O-N 2.66Å
285	L	95.1	Very high	96.1	Very high	28 Å²	28	43.8 Å²	43.8	15%	0.147	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-34.5	-169.3	-178.4	129.8	0	0	0	113.8	S287 R290 P387 D406 I410	L285-S287 VanDerWaalsContact C-N 3.35Å; L285-S287 PolarHBondContact O-N 2.68Å; L285-R290 PolarHBondContact O-NH1 3.34Å; L285-R290 VanDerWaalsContact O-NH1 3.13Å; L285-R290 PolarHBondContact O-NH2 2.76Å; L285-P387 HydrophobicContact CD2-CG 4.02Å; L285-D406 HydrophobicContact CB-CB 4.3Å; L285-I410 HydrophobicContact CD1-CD1 4.11Å; L285-I410 HydrophobicContact CD1-CG2 3.95Å; L285-I410 HydrophobicContact CG-CD1 4.05Å
286	F	95.9	Very high	95.7	Very high	138 Å²	138	42.8 Å²	42.8	61%	0.605	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	33	179	-58	-64.5	0	0	0	113.3	G284 K288 M386 P387	G284-F286 VanDerWaalsContact C-N 3.26Å; G284-F286 PolarHBondContact O-N 2.9Å; F286-K288 PolarHBondContact O-N 2.89Å; F286-M386 HydrophobicContact CE2-CE 4.12Å; F286-M386 HydrophobicContact CZ-CE 4.42Å; F286-P387 HydrophobicContact CE1-CG 4.04Å; F286-P387 HydrophobicContact CZ-CG 3.85Å
287	S	97.6	Very high	95.4	Very high	14 Å²	14	51.2 Å²	51.2	10%	0.098	26%	0.259	C	S	.	.			trans	-49	130.9	-177.9	179.1	0	0	0	0	113.4	D283 G284 L285 F289 R290	D283-S287 VanDerWaalsContact CG-CA 3.5Å; D283-S287 VanDerWaalsContact CG-OG 3.25Å; D283-S287 WeakPolarHBondContact OD1-CA 3.04Å; D283-S287 WeakPolarHBondContact OD1-CB 3.17Å; D283-S287 PolarHBondContact OD1-OG 3.16Å; D283-S287 WeakPolarHBondContact OD2-CA 3.39Å; D283-S287 PolarHBondContact OD2-OG 2.85Å; G284-S287 WeakPolarHBondContact O-CB 3.5Å; G284-S287 PolarHBondContact O-N 3.49Å; G284-S287 VanDerWaalsContact O-N 3.09Å; L285-S287 VanDerWaalsContact C-N 3.35Å; L285-S287 PolarHBondContact O-N 2.68Å; S287-F289 PolarHBondContact OG-N 2.79Å; S287-R290 PolarHBondContact OG-N 3.2Å
288	K	96.3	Very high	95.3	Very high	146 Å²	146	53.2 Å²	53.2	64%	0.635	27%	0.271	S	S	*	.	S	Bend	trans	-81.9	-32.2	176.2	-68.3	-176.3	-178.7	177.8	0	112	D283 F286	D283-K288 PolarHBondContact OD2-N 3.44Å; F286-K288 PolarHBondContact O-N 2.89Å
289	F	96.9	Very high	95.2	Very high	10 Å²	10	56.8 Å²	56.8	4%	0.044	29%	0.293	C	S	.	.	S	Bend	trans	-89.4	-16.9	-173.1	-50.3	-73.3	0	0	0	113.4	V127 V248 L251 V281 D283 S287 K291 N292 L293	V127-F289 HydrophobicContact CG1-CE2 4Å; V248-F289 HydrophobicContact CB-CE2 4.36Å; V248-F289 HydrophobicContact CB-CZ 4.06Å; V248-F289 HydrophobicContact CG1-CE1 4.33Å; V248-F289 HydrophobicContact CG1-CE2 4.16Å; V248-F289 HydrophobicContact CG1-CZ 3.6Å; L251-F289 HydrophobicContact CD1-CB 4.22Å; L251-F289 HydrophobicContact CD1-CD1 4.3Å; L251-F289 HydrophobicContact CD1-CG 4.44Å; L251-F289 HydrophobicContact CD2-CD1 4.23Å; L251-F289 HydrophobicContact CD2-CG 4.45Å; L251-F289 HydrophobicContact CG-CD1 3.8Å; L251-F289 HydrophobicContact CG-CE1 4.33Å; L251-F289 HydrophobicContact CG-CG 4.28Å; V281-F289 HydrophobicContact CG1-CB 4.06Å; V281-F289 HydrophobicContact CG1-CD2 3.93Å; V281-F289 HydrophobicContact CG1-CG 4.41Å; V281-F289 HydrophobicContact CG2-CB 4.49Å; D283-F289 WeakPolarHBondContact OD2-CD2 3.41Å; S287-F289 PolarHBondContact OG-N 2.79Å; F289-K291 VanDerWaalsContact C-N 3.26Å; F289-K291 PolarHBondContact O-N 2.82Å; F289-K291 VanDerWaalsContact O-N 3.13Å; F289-N292 WeakPolarHBondContact O-CB 3.19Å; F289-N292 PolarHBondContact O-N 3.25Å; F289-L293 PolarHBondContact O-N 2.98Å
290	R	96.1	Very high	95.1	Very high	19 Å²	19	60.6 Å²	60.6	7%	0.072	32%	0.316	C	S	.	.	H	α-helix	trans	-46.5	-46.5	-179.4	179.7	-171.7	-62.6	148.2	6.4	113.5	G284 L285 S287 N292 L293 I294 L391 L403 D406 A407	G284-R290 PolarHBondContact O-NH2 2.64Å; L285-R290 PolarHBondContact O-NH1 3.34Å; L285-R290 VanDerWaalsContact O-NH1 3.13Å; L285-R290 PolarHBondContact O-NH2 2.76Å; S287-R290 PolarHBondContact OG-N 3.2Å; R290-N292 PolarHBondContact O-N 2.81Å; R290-L293 PolarHBondContact O-N 2.66Å; R290-I294 HydrophobicContact CG-CD1 3.6Å; R290-I294 HydrophobicContact CG-CG1 3.57Å; R290-I294 WeakPolarHBondContact O-CG1 3.17Å; R290-I294 PolarHBondContact O-N 3.21Å; R290-L391 VanDerWaalsContact NE-CD2 3.32Å; R290-L403 HydrophobicContact CG-CD2 4.33Å; R290-D406 PolarHBondContact NH2-O 2.84Å; R290-A407 PolarHBondContact NE-O 3.12Å
291	K	94	Very high	94.8	Very high	186 Å²	186	61.8 Å²	61.8	81%	0.809	32%	0.324	S	S	*	.	H	α-helix	trans	-63.9	-23.5	-176	-67.8	-179.2	-179.3	176	0	113.4	F289	F289-K291 VanDerWaalsContact C-N 3.26Å; F289-K291 PolarHBondContact O-N 2.82Å; F289-K291 VanDerWaalsContact O-N 3.13Å
292	N	92.4	Very high	94.7	Very high	111 Å²	111	61.8 Å²	61.8	59%	0.594	32%	0.324	S	S	*	.	H	α-helix	trans	-84	-21.5	178.6	-58.4	0.8	0	0	0	111.4	F289 R290	F289-N292 WeakPolarHBondContact O-CB 3.19Å; F289-N292 PolarHBondContact O-N 3.25Å; R290-N292 PolarHBondContact O-N 2.81Å
293	L	94.3	Very high	94.7	Very high	14 Å²	14	63.9 Å²	63.9	7%	0.073	33%	0.332	C	S	.	.	H	α-helix	trans	-107.9	-27.4	-170.7	-63.2	176.4	0	0	0	113.6	L251 V281 F289 R290 V396 K398 V401 L403	L251-L293 HydrophobicContact CD1-CD1 4.23Å; L251-L293 HydrophobicContact CD1-CD2 4.34Å; L251-L293 HydrophobicContact CD1-CG 4.5Å; V281-L293 HydrophobicContact CB-CD1 4.49Å; V281-L293 HydrophobicContact CG2-CD1 4.11Å; F289-L293 PolarHBondContact O-N 2.98Å; R290-L293 PolarHBondContact O-N 2.66Å; L293-V396 HydrophobicContact CB-CG1 4.39Å; L293-K398 HydrophobicContact CD2-CB 4.02Å; L293-K398 HydrophobicContact CD2-CG 4.15Å; L293-V401 HydrophobicContact CD1-CG2 3.98Å; L293-V401 HydrophobicContact CD2-CG1 3.72Å; L293-V401 HydrophobicContact CD2-CG2 4.31Å; L293-L403 HydrophobicContact CB-CD2 4.14Å; L293-L403 HydrophobicContact CD1-CB 4.09Å; L293-L403 HydrophobicContact CD1-CD1 4.15Å; L293-L403 HydrophobicContact CD1-CD2 4.45Å; L293-L403 HydrophobicContact CD1-CG 4.46Å
294	I	93.1	Very high	94.7	Very high	12 Å²	12	61.8 Å²	61.8	6%	0.062	32%	0.321	C	S	.	.			trans	-138	149.2	179.1	63.2	169.6	0	0	0	111.9	R290 L391 V396 L403	R290-I294 HydrophobicContact CG-CD1 3.6Å; R290-I294 HydrophobicContact CG-CG1 3.57Å; R290-I294 WeakPolarHBondContact O-CG1 3.17Å; R290-I294 PolarHBondContact O-N 3.21Å; I294-L391 HydrophobicContact CD1-CD1 4.2Å; I294-L391 HydrophobicContact CD1-CD2 4.13Å; I294-L391 HydrophobicContact CD1-CG 4.49Å; I294-V396 HydrophobicContact CG2-CG2 3.82Å; I294-L403 HydrophobicContact CD1-CD2 4.14Å; I294-L403 HydrophobicContact CG1-CD2 4.14Å; I294-L403 HydrophobicContact CG2-CD2 4Å
295	S	87.4	Confident	94.8	Very high	104 Å²	104	60.8 Å²	60.8	73%	0.727	31%	0.311	S	S	*	.			trans	-90.1	-16.2	179.8	58.2	0	0	0	0	114.3
296	S	88.9	Confident	94.9	Very high	23 Å²	23	59.5 Å²	59.5	16%	0.161	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-64.7	135.9	177.9	-68.9	0	0	0	0	111.2	S394	S296-S394 WeakPolarHBondContact CB-OG 3.49Å; S296-S394 PolarHBondContact OG-OG 3.39Å
297	K	91.4	Very high	94.9	Very high	178 Å²	178	53.1 Å²	53.1	77%	0.774	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-97.4	146.3	179.8	-64.1	-175.5	-179.4	-178.4	0	110.3
298	V	95.3	Very high	94.9	Very high	56 Å²	56	54.4 Å²	54.4	34%	0.339	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-74.4	134.6	171.1	-172.3	0	0	0	0	108.9	F390 L391	V298-F390 WeakPolarHBondContact CA-O 3.33Å; V298-L391 HydrophobicContact CG2-CD1 4.34Å
299	T	95.4	Very high	94.9	Very high	76 Å²	76	47.4 Å²	47.4	47%	0.466	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	134	167.9	54	0	0	0	0	109	S389 F390	T299-S389 CarbonylContact O-C 3.56Å; T299-S389 WeakPolarHBondContact O-CA 3.34Å; T299-F390 PolarHBondContact N-O 3.39Å; T299-F390 PolarHBondContact O-N 2.95Å; T299-F390 PolarHBondContact OG1-O 3.31Å
300	V	96.2	Very high	94.9	Very high	79 Å²	79	53.6 Å²	53.6	48%	0.479	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	121.1	174.6	-178.1	0	0	0	0	108.1	S302 P387	V300-S302 VanDerWaalsContact CG1-O 3.27Å; V300-S302 WeakPolarHBondContact CG1-O 3.48Å; V300-P387 HydrophobicContact CG1-CB 4Å; V300-P387 HydrophobicContact CG2-CB 4.4Å
301	S	93.9	Very high	94.7	Very high	26 Å²	26	57 Å²	57	18%	0.182	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-38.2	-179.6	-57.1	0	0	0	0	111.9	A388 Y472	S301-A388 PolarHBondContact N-O 3.05Å; S301-Y472 PolarHBondContact O-OH 3.12Å
302	S	96.8	Very high	94.8	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.007	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	-170	-178.2	51.7	0	0	0	0	110.3	V300 D345 I346 A388 H412 Y472	V300-S302 VanDerWaalsContact CG1-O 3.27Å; V300-S302 WeakPolarHBondContact CG1-O 3.48Å; S302-D345 WeakPolarHBondContact CB-OD1 3.32Å; S302-D345 PolarHBondContact OG-OD1 2.84Å; S302-I346 VanDerWaalsContact CB-O 3.26Å; S302-I346 WeakPolarHBondContact CB-O 3.43Å; S302-A388 WeakPolarHBondContact O-CB 3.11Å; S302-A388 PolarHBondContact O-N 3.35Å; S302-A388 WeakPolarHBondContact OG-CB 3.25Å; S302-H412 PolarHBondContact OG-NE2 2.7Å; S302-H412 VanDerWaalsContact OG-NE2 3.12Å; S302-Y472 WeakPolarHBondContact CB-OH 3.43Å; S302-Y472 PolarHBondContact OG-OH 2.8Å
303	H	97.5	Very high	95	Very high	52 Å²	52	46.6 Å²	46.6	24%	0.241	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.5	170.8	-56.1	80.3	0	0	0	110.2	I346 M350 M386	H303-I346 PolarHBondContact N-O 2.83Å; H303-I346 PolarHBondContact O-N 2.9Å; H303-M350 HydrophobicContact CB-CE 4.15Å; H303-M350 HydrophobicContact CB-SD 3.54Å; H303-M350 VanDerWaalsContact CB-SD 3.54Å; H303-M386 CarbonylContact C-O 3.49Å; H303-M386 WeakPolarHBondContact CA-O 3.39Å
304	F	97.6	Very high	95.2	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.018	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	133.2	165.7	-83.7	-2.1	0	0	0	110.2	L331 L343 V344 D345 T385 M386 H412 P413	F304-L331 HydrophobicContact CE2-CD1 3.95Å; F304-L331 HydrophobicContact CZ-CD1 3.82Å; F304-L343 HydrophobicContact CB-CD2 4.42Å; F304-L343 HydrophobicContact CD2-CB 4.07Å; F304-L343 HydrophobicContact CD2-CD1 3.77Å; F304-L343 HydrophobicContact CD2-CD2 4.44Å; F304-L343 HydrophobicContact CD2-CG 4.32Å; F304-L343 HydrophobicContact CE2-CB 4.33Å; F304-L343 HydrophobicContact CE2-CD1 3.93Å; F304-L343 HydrophobicContact CG-CB 4.31Å; F304-V344 CarbonylContact C-O 3.29Å; F304-V344 WeakPolarHBondContact CA-O 3.44Å; F304-D345 HydrophobicContact CD1-CB 3.89Å; F304-D345 HydrophobicContact CE1-CB 3.68Å; F304-T385 CarbonylContact O-C 3.47Å; F304-T385 VanDerWaalsContact O-CA 3.27Å; F304-T385 WeakPolarHBondContact O-CA 3.42Å; F304-M386 PolarHBondContact N-O 3.31Å; F304-M386 PolarHBondContact O-N 2.81Å; F304-H412 AromaticContact CE1-CE1 3.81Å; F304-H412 AromaticContact CZ-CE1 3.95Å; F304-P413 HydrophobicContact CD2-CB 4.17Å; F304-P413 HydrophobicContact CD2-CG 3.65Å; F304-P413 HydrophobicContact CE2-CB 3.74Å; F304-P413 HydrophobicContact CE2-CG 3.42Å; F304-P413 VanDerWaalsContact CE2-CG 3.42Å; F304-P413 HydrophobicContact CG-CG 4.36Å; F304-P413 HydrophobicContact CZ-CB 4.47Å; F304-P413 HydrophobicContact CZ-CG 3.92Å
305	V	97.9	Very high	95.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.7	170.4	-170.2	0	0	0	0	108.7	V344 I346 M350 L354 M358 L383 R384 T385	V305-V344 PolarHBondContact N-O 3.49Å; V305-V344 PolarHBondContact O-N 3.29Å; V305-I346 HydrophobicContact CG2-CD1 3.61Å; V305-I346 HydrophobicContact CG2-CG1 4.15Å; V305-M350 HydrophobicContact CG2-CE 3.65Å; V305-L354 HydrophobicContact CG1-CD1 4.31Å; V305-L354 HydrophobicContact CG2-CD2 4.46Å; V305-M358 HydrophobicContact CB-CE 3.45Å; V305-M358 VanDerWaalsContact CB-CE 3.45Å; V305-M358 HydrophobicContact CG1-CE 3.25Å; V305-M358 HydrophobicContact CG2-CE 4.44Å; V305-L383 HydrophobicContact CG1-CB 4.02Å; V305-L383 HydrophobicContact CG1-CD1 4.49Å; V305-R384 CarbonylContact C-O 3.5Å; V305-R384 VanDerWaalsContact CA-O 3.29Å; V305-R384 WeakPolarHBondContact CA-O 3Å; V305-T385 HydrophobicContact CG1-CG2 4.25Å; V305-T385 HydrophobicContact CG2-CG2 4.01Å
306	G	97.1	Very high	95.9	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	139.3	-175.9	0	0	0	0	0	113.8	V342 R384	G306-V342 VanDerWaalsContact CA-O 3.25Å; G306-V342 WeakPolarHBondContact CA-O 3.21Å; G306-R384 PolarHBondContact N-O 3.29Å; G306-R384 PolarHBondContact O-N 3.21Å; G306-R384 VanDerWaalsContact O-N 3.08Å
307	C	96.3	Very high	96.3	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.02	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	172.4	163.7	66.7	0	0	0	0	110.4	R341 V342 L383	C307-R341 WeakPolarHBondContact O-CD 3.36Å; C307-R341 PolarHBondContact O-NH1 2.79Å; C307-V342 PolarHBondContact N-O 2.73Å; C307-V342 VanDerWaalsContact N-O 3.12Å; C307-V342 PolarHBondContact O-N 2.8Å; C307-V342 VanDerWaalsContact O-N 3.16Å; C307-L383 HydrophobicContact CB-CD2 3.67Å
308	I	97.4	Very high	96.6	Very high	41 Å²	41	47.9 Å²	47.9	21%	0.21	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.1	177.4	-60.7	-177.8	0	0	0	107.9	E339 A377	I308-E339 HydrophobicContact CG2-CB 3.64Å; I308-E339 HydrophobicContact CG2-CG 3.78Å; I308-A377 WeakPolarHBondContact O-CB 3.45Å
309	L	97.6	Very high	96.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	140	170.2	-44.4	-171.2	0	0	0	108.9	A312 E339 T340 V342 L370 P373 F374 A377	L309-A312 HydrophobicContact CB-CB 3.76Å; L309-A312 HydrophobicContact CD1-CB 3.91Å; L309-A312 HydrophobicContact CG-CB 4.49Å; L309-E339 WeakPolarHBondContact O-CA 3.24Å; L309-T340 PolarHBondContact N-O 3.21Å; L309-T340 PolarHBondContact O-N 2.83Å; L309-V342 HydrophobicContact CD1-CG2 3.68Å; L309-V342 HydrophobicContact CD2-CG2 3.98Å; L309-V342 HydrophobicContact CG-CG2 3.69Å; L309-L370 HydrophobicContact CD1-CD2 4.29Å; L309-P373 HydrophobicContact CB-CB 4.29Å; L309-P373 HydrophobicContact CD1-CB 4.4Å; L309-P373 HydrophobicContact CD1-CG 4.41Å; L309-F374 HydrophobicContact CD2-CB 4.18Å; L309-F374 HydrophobicContact CD2-CD2 4.26Å; L309-A377 HydrophobicContact CD2-CB 3.51Å
310	K	96.4	Very high	96.9	Very high	140 Å²	140	42.8 Å²	42.8	61%	0.609	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.5	175.2	-64.1	179.1	-175.6	170.5	0	109.4	A312 T338	K310-A312 PolarHBondContact O-N 3.43Å; K310-A312 VanDerWaalsContact O-N 3.15Å; K310-T338 WeakPolarHBondContact CA-O 3.31Å
311	A	92	Very high	97	Very high	89 Å²	89	39.3 Å²	39.3	74%	0.736	22%	0.219	S	C	*	.	S	Bend	trans	51	35.6	177.7	0	0	0	0	0	114.3	T338	A311-T338 PolarHBondContact N-O 2.86Å
312	A	95.8	Very high	97.2	Very high	8 Å²	8	38.8 Å²	38.8	7%	0.066	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-75.7	134.2	177.6	0	0	0	0	0	110.9	L309 K310 L370 P373	L309-A312 HydrophobicContact CB-CB 3.76Å; L309-A312 HydrophobicContact CD1-CB 3.91Å; L309-A312 HydrophobicContact CG-CB 4.49Å; K310-A312 PolarHBondContact O-N 3.43Å; K310-A312 VanDerWaalsContact O-N 3.15Å; A312-L370 HydrophobicContact CB-CD2 4.21Å; A312-P373 HydrophobicContact CB-CB 4.05Å; A312-P373 HydrophobicContact CB-CG 3.96Å
313	P	96.8	Very high	97.3	Very high	72 Å²	72	38.7 Å²	38.7	47%	0.468	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-69	157	174.7	31	-35.4	0	0	0	111	H369	P313-H369 HydrophobicContact CG-CB 4.16Å; P313-H369 WeakPolarHBondContact CG-O 3.33Å
314	Q	97.9	Very high	97.3	Very high	53 Å²	53	36.3 Å²	36.3	25%	0.248	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-98	144.3	168.2	-59	-174.2	-77.4	0	0	109.5	K316 Y319	Q314-K316 VanDerWaalsContact C-N 3.29Å; Q314-K316 WeakPolarHBondContact CB-O 3.39Å; Q314-K316 PolarHBondContact O-N 3.48Å; Q314-Y319 PolarHBondContact NE2-O 3.07Å
315	F	97.6	Very high	97.1	Very high	96 Å²	96	36.1 Å²	36.1	42%	0.421	20%	0.202	S	C	.	.	S	Bend	trans	-58.6	-43.8	171.1	-175.1	-89.9	0	0	0	111.6	I194 H196 E203 E321 H369	I194-F315 HydrophobicContact CB-CD1 4.5Å; I194-F315 HydrophobicContact CD1-CD1 4.23Å; I194-F315 HydrophobicContact CG1-CD1 3.92Å; I194-F315 HydrophobicContact CG2-CD1 4Å; I194-F315 HydrophobicContact CG2-CE1 4.27Å; I194-F315 HydrophobicContact CG2-CG 4.5Å; H196-F315 AromaticContact CE1-CD2 3.84Å; E203-F315 HydrophobicContact CG-CE1 4.18Å; E203-F315 HydrophobicContact CG-CZ 3.9Å; F315-E321 WeakPolarHBondContact CB-OE1 3.38Å; F315-E321 PolarHBondContact N-OE1 3.02Å; F315-H369 AromaticContact CD2-CE1 3.99Å
316	K	97.9	Very high	96.7	Very high	76 Å²	76	44 Å²	44	33%	0.33	24%	0.237	S	C	.	.	S	Bend	trans	-134.3	132.3	172.8	-173.6	173.9	-172.6	176.2	0	109.1	I194 E205 Q314 N318 Y319	I194-K316 HydrophobicContact CD1-CB 4.14Å; I194-K316 HydrophobicContact CD1-CD 4.3Å; I194-K316 HydrophobicContact CG1-CB 4.26Å; E205-K316 IonicContact OE1-NZ 3.82Å; E205-K316 PolarHBondContact OE1-NZ 2.93Å; E205-K316 IonicContact OE2-NZ 3.94Å; E205-K316 PolarHBondContact OE2-NZ 2.95Å; Q314-K316 VanDerWaalsContact C-N 3.29Å; Q314-K316 WeakPolarHBondContact CB-O 3.39Å; Q314-K316 PolarHBondContact O-N 3.48Å; K316-N318 PolarHBondContact O-N 2.78Å; K316-Y319 HydrophobicContact CB-CD2 4.35Å; K316-Y319 HydrophobicContact CB-CG 4.22Å; K316-Y319 HydrophobicContact CD-CD1 4.28Å; K316-Y319 HydrophobicContact CD-CD2 3.94Å; K316-Y319 HydrophobicContact CD-CE1 4.22Å; K316-Y319 HydrophobicContact CD-CE2 3.89Å; K316-Y319 HydrophobicContact CD-CG 4.16Å; K316-Y319 HydrophobicContact CG-CD2 3.93Å; K316-Y319 HydrophobicContact CG-CE2 4.27Å; K316-Y319 HydrophobicContact CG-CG 4.24Å; K316-Y319 PolarHBondContact O-N 2.78Å; K316-Y319 VanDerWaalsContact O-N 3.07Å
317	A	97.6	Very high	96.1	Very high	68 Å²	68	47.5 Å²	47.5	56%	0.562	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	133.5	-177.9	0	0	0	0	0	111.6	Y319	A317-Y319 WeakPolarHBondContact O-CD2 3.45Å; A317-Y319 PolarHBondContact O-N 3.12Å
318	N	97.9	Very high	95.9	Very high	65 Å²	65	47.6 Å²	47.6	35%	0.348	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	20.5	-177.6	-51.7	-59.1	0	0	0	114.7	V189 V190 N191 K316	V189-N318 WeakPolarHBondContact O-CB 3.47Å; V189-N318 PolarHBondContact O-OD1 2.93Å; V190-N318 CarbonylContact C-O 3.48Å; V190-N318 WeakPolarHBondContact CA-O 3.33Å; N191-N318 HydrophobicContact CB-CB 4.32Å; N191-N318 PolarHBondContact N-O 2.8Å; K316-N318 PolarHBondContact O-N 2.78Å
319	Y	98.4	Very high	95.9	Very high	22 Å²	22	45.7 Å²	45.7	9%	0.086	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	138.1	172.1	-79.1	-124.8	0	0	0	109.9	N191 G192 I194 E205 Q314 K316 A317	N191-Y319 HydrophobicContact CB-CD2 4.2Å; N191-Y319 HydrophobicContact CB-CE2 3.73Å; G192-Y319 VanDerWaalsContact C-CD1 3.44Å; G192-Y319 WeakPolarHBondContact O-CA 3.45Å; I194-Y319 HydrophobicContact CD1-CD1 3.78Å; I194-Y319 HydrophobicContact CD1-CE1 4.43Å; I194-Y319 HydrophobicContact CD1-CG 4.38Å; I194-Y319 HydrophobicContact CG1-CD1 4.18Å; I194-Y319 HydrophobicContact CG1-CG 4.47Å; E205-Y319 HydrophobicContact CG-CD1 4.2Å; E205-Y319 HydrophobicContact CG-CE1 3.49Å; E205-Y319 VanDerWaalsContact CG-CE1 3.49Å; E205-Y319 WeakPolarHBondContact OE1-CE1 3.41Å; E205-Y319 VanDerWaalsContact OE1-CZ 3.26Å; E205-Y319 PolarHBondContact OE1-OH 3.3Å; Q314-Y319 PolarHBondContact NE2-O 3.07Å; K316-Y319 HydrophobicContact CB-CD2 4.35Å; K316-Y319 HydrophobicContact CB-CG 4.22Å; K316-Y319 HydrophobicContact CD-CD1 4.28Å; K316-Y319 HydrophobicContact CD-CD2 3.94Å; K316-Y319 HydrophobicContact CD-CE1 4.22Å; K316-Y319 HydrophobicContact CD-CE2 3.89Å; K316-Y319 HydrophobicContact CD-CG 4.16Å; K316-Y319 HydrophobicContact CG-CD2 3.93Å; K316-Y319 HydrophobicContact CG-CE2 4.27Å; K316-Y319 HydrophobicContact CG-CG 4.24Å; K316-Y319 PolarHBondContact O-N 2.78Å; K316-Y319 VanDerWaalsContact O-N 3.07Å; A317-Y319 WeakPolarHBondContact O-CD2 3.45Å; A317-Y319 PolarHBondContact O-N 3.12Å
320	A	98.4	Very high	95.9	Very high	2 Å²	2	45.7 Å²	45.7	2%	0.017	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	162	165.9	0	0	0	0	0	109.4	L164 V190 G192 Y193 I194 I332	L164-A320 HydrophobicContact CD1-CB 4.41Å; V190-A320 HydrophobicContact CG1-CB 4.13Å; G192-A320 PolarHBondContact O-N 2.83Å; Y193-A320 CarbonylContact C-O 3.51Å; Y193-A320 WeakPolarHBondContact CA-O 3.38Å; Y193-A320 HydrophobicContact CD1-CB 3.44Å; Y193-A320 VanDerWaalsContact CD1-CB 3.44Å; Y193-A320 HydrophobicContact CE1-CB 3.44Å; Y193-A320 VanDerWaalsContact CE1-CB 3.44Å; Y193-A320 HydrophobicContact CG-CB 4.39Å; I194-A320 PolarHBondContact N-O 3Å; A320-I332 CarbonylContact C-O 3.47Å
321	E	98.7	Very high	96	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.028	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	138.5	-178.2	-53.6	177.9	-150.2	0	0	110.2	I194 H196 F315 I332 H369 L370	I194-E321 HydrophobicContact CB-CG 4.39Å; I194-E321 CarbonylContact O-C 3.6Å; I194-E321 WeakPolarHBondContact O-CA 3.49Å; H196-E321 IonicContact CD2-OE2 2.88Å; H196-E321 IonicContact NE2-OE2 2.88Å; H196-E321 PolarHBondContact NE2-OE2 2.78Å; F315-E321 WeakPolarHBondContact CB-OE1 3.38Å; F315-E321 PolarHBondContact N-OE1 3.02Å; E321-I332 HydrophobicContact CB-CB 4.16Å; E321-I332 PolarHBondContact N-O 3.45Å; E321-I332 PolarHBondContact O-N 3.12Å; E321-H369 VanDerWaalsContact CD-NE2 3.34Å; E321-H369 IonicContact OE1-CD2 3.66Å; E321-H369 IonicContact OE1-CE1 2.72Å; E321-H369 IonicContact OE1-NE2 3.93Å; E321-H369 PolarHBondContact OE1-NE2 3.21Å; E321-H369 IonicContact OE2-CE1 2.94Å; E321-H369 PolarHBondContact OE2-CE1 3.2Å; E321-H369 IonicContact OE2-NE2 2.62Å; E321-H369 PolarHBondContact OE2-NE2 3.25Å; E321-L370 WeakPolarHBondContact OE2-CD1 3.24Å
322	L	98.4	Very high	96.3	Very high	15 Å²	15	35.8 Å²	35.8	8%	0.079	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	118.5	172.1	168.4	65.7	0	0	0	107.8	I194 I195 H196 L324 P329 V330 L331 L414 F475	I194-L322 PolarHBondContact O-N 3.01Å; I195-L322 CarbonylContact C-O 3.58Å; I195-L322 WeakPolarHBondContact CA-O 3.31Å; I195-L322 HydrophobicContact CD1-CD2 4.36Å; I195-L322 HydrophobicContact CG1-CB 4.38Å; I195-L322 HydrophobicContact CG1-CD2 4.25Å; I195-L322 HydrophobicContact CG2-CD2 4.29Å; I195-L322 HydrophobicContact CG2-CG 4.46Å; H196-L322 PolarHBondContact N-O 3.26Å; L322-L324 HydrophobicContact CD2-CD2 4.03Å; L322-L324 HydrophobicContact CG-CD2 4.13Å; L322-P329 HydrophobicContact CD1-CB 3.76Å; L322-V330 WeakPolarHBondContact CA-O 3.34Å; L322-L331 HydrophobicContact CB-CD2 4.39Å; L322-L331 HydrophobicContact CD1-CD2 3.72Å; L322-L331 HydrophobicContact CD1-CG 4.49Å; L322-L414 HydrophobicContact CD1-CD1 4.23Å; L322-F475 HydrophobicContact CD2-CD2 4.13Å; L322-F475 HydrophobicContact CD2-CE2 3.71Å
323	V	98.4	Very high	96.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.5	175	-173.6	0	0	0	0	108.7	H196 I198 A325 P329 V330 I332 L366 P367	H196-V323 HydrophobicContact CB-CG2 4.44Å; I198-V323 HydrophobicContact CG2-CG1 3.75Å; V323-A325 PolarHBondContact O-N 3.07Å; V323-P329 WeakPolarHBondContact O-CA 3.32Å; V323-V330 HydrophobicContact CB-CB 4.19Å; V323-V330 PolarHBondContact N-O 3.46Å; V323-V330 PolarHBondContact O-N 3.36Å; V323-I332 HydrophobicContact CG2-CD1 4.08Å; V323-L366 HydrophobicContact CG2-CD2 4.46Å; V323-P367 HydrophobicContact CG2-CG 4.1Å
324	L	97.2	Very high	96.5	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.175	C	C	.	.			trans	-80.5	60.2	175.6	-64.6	-173.7	0	0	0	111.2	I195 H196 L322 F475 K486 F490	I195-L324 HydrophobicContact CG2-CD1 3.74Å; I195-L324 HydrophobicContact CG2-CD2 4.36Å; I195-L324 HydrophobicContact CG2-CG 3.74Å; H196-L324 WeakPolarHBondContact O-CB 3.45Å; H196-L324 PolarHBondContact O-N 3.3Å; L322-L324 HydrophobicContact CD2-CD2 4.03Å; L322-L324 HydrophobicContact CG-CD2 4.13Å; L324-F475 HydrophobicContact CD2-CB 4.27Å; L324-F475 HydrophobicContact CD2-CD1 3.9Å; L324-F475 HydrophobicContact CD2-CD2 3.75Å; L324-F475 HydrophobicContact CD2-CE1 4.1Å; L324-F475 HydrophobicContact CD2-CE2 3.98Å; L324-F475 HydrophobicContact CD2-CG 3.71Å; L324-F475 HydrophobicContact CD2-CZ 4.14Å; L324-K486 PolarHBondContact O-NZ 2.88Å; L324-F490 HydrophobicContact CD1-CB 4.2Å; L324-F490 HydrophobicContact CD1-CD2 4.06Å; L324-F490 HydrophobicContact CD1-CG 4.46Å
325	A	94.4	Very high	96.5	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.008	16%	0.164	C	C	.	.			trans	-58.6	165.2	179.5	0	0	0	0	0	113.3	I198 V323 T327 S328 Q365 K486	I198-A325 HydrophobicContact CD1-CB 4.41Å; V323-A325 PolarHBondContact O-N 3.07Å; A325-T327 PolarHBondContact O-N 3.34Å; A325-S328 WeakPolarHBondContact CB-O 3.38Å; A325-Q365 HydrophobicContact CB-CB 4.34Å; A325-K486 PolarHBondContact O-NZ 2.9Å
326	K	88.8	Confident	96.6	Very high	165 Å²	165	27.3 Å²	27.3	72%	0.717	14%	0.144	S	C	*	.	S	Bend	trans	-57.8	-46	-169.1	-74.7	178.3	-174.6	177.5	0	112.8	I198 Q365	I198-K326 HydrophobicContact CD1-CG 3.79Å; K326-Q365 VanDerWaalsContact CG-OE1 3.3Å
327	T	84.6	Confident	96.5	Very high	75 Å²	75	26.7 Å²	26.7	46%	0.46	15%	0.149	S	C	.	.	S	Bend	trans	-92.1	-53.6	-174.6	47.6	0	0	0	0	112.3	A325 A476	A325-T327 PolarHBondContact O-N 3.34Å; T327-A476 WeakPolarHBondContact O-CA 3.47Å
328	S	92.3	Very high	96.4	Very high	5 Å²	5	27.2 Å²	27.2	4%	0.035	15%	0.145	C	C	.	.	S	Bend	trans	-149.7	150.2	-168.7	-92	0	0	0	0	109.6	A325 D345	A325-S328 WeakPolarHBondContact CB-O 3.38Å; S328-D345 WeakPolarHBondContact CB-O 3.31Å; S328-D345 WeakPolarHBondContact CB-OD2 3.31Å; S328-D345 PolarHBondContact OG-OD2 3.21Å
329	P	97	Very high	96.4	Very high	1 Å²	1	26 Å²	26	1%	0.006	14%	0.137	C	C	.	.			trans	-70.5	154.9	-176.6	28.2	-34.5	0	0	0	113.3	L322 V323 D345 L414 F475	L322-P329 HydrophobicContact CD1-CB 3.76Å; V323-P329 WeakPolarHBondContact O-CA 3.32Å; P329-D345 HydrophobicContact CG-CB 4.24Å; P329-D345 WeakPolarHBondContact O-CB 3.42Å; P329-D345 PolarHBondContact O-N 3.31Å; P329-D345 VanDerWaalsContact O-N 3.14Å; P329-L414 HydrophobicContact CB-CD1 4.12Å; P329-L414 HydrophobicContact CG-CD1 3.82Å; P329-F475 HydrophobicContact CB-CB 4.4Å; P329-F475 HydrophobicContact CG-CB 4.25Å
330	V	98.4	Very high	96.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.3	170.4	-175.8	0	0	0	0	109.6	L322 V323 I332 V342 L343 V344 I362 L366	L322-V330 WeakPolarHBondContact CA-O 3.34Å; V323-V330 HydrophobicContact CB-CB 4.19Å; V323-V330 PolarHBondContact N-O 3.46Å; V323-V330 PolarHBondContact O-N 3.36Å; V330-I332 HydrophobicContact CG1-CD1 4.27Å; V330-I332 HydrophobicContact CG1-CG1 4.09Å; V330-V342 HydrophobicContact CG1-CG1 3.61Å; V330-L343 CarbonylContact C-O 3.13Å; V330-L343 WeakPolarHBondContact CA-O 3.31Å; V330-V344 HydrophobicContact CG1-CG2 3.94Å; V330-V344 HydrophobicContact CG2-CG1 4.33Å; V330-V344 HydrophobicContact CG2-CG2 4.11Å; V330-I362 HydrophobicContact CG2-CG2 4.14Å; V330-L366 HydrophobicContact CG1-CD2 4.27Å
331	L	98.4	Very high	96.4	Very high	16 Å²	16	25.7 Å²	25.7	8%	0.084	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	139.1	176.1	-67.4	171.7	0	0	0	110.9	F304 L322 Y333 V342 L343 L414	F304-L331 HydrophobicContact CE2-CD1 3.95Å; F304-L331 HydrophobicContact CZ-CD1 3.82Å; L322-L331 HydrophobicContact CB-CD2 4.39Å; L322-L331 HydrophobicContact CD1-CD2 3.72Å; L322-L331 HydrophobicContact CD1-CG 4.49Å; L331-Y333 HydrophobicContact CB-CE1 4.32Å; L331-V342 CarbonylContact O-C 3.57Å; L331-V342 WeakPolarHBondContact O-CA 3.09Å; L331-L343 HydrophobicContact CB-CB 4.26Å; L331-L343 PolarHBondContact N-O 2.76Å; L331-L343 PolarHBondContact O-N 3.42Å; L331-L414 HydrophobicContact CD1-CD1 4.28Å; L331-L414 HydrophobicContact CD2-CD1 4.12Å; L331-L414 HydrophobicContact CG-CD1 4.24Å
332	I	98.6	Very high	96.4	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	127.1	-176.2	-47.7	179.9	0	0	0	108.6	A320 E321 V323 V330 T340 R341 V342 L366 L370	A320-I332 CarbonylContact C-O 3.47Å; E321-I332 HydrophobicContact CB-CB 4.16Å; E321-I332 PolarHBondContact N-O 3.45Å; E321-I332 PolarHBondContact O-N 3.12Å; V323-I332 HydrophobicContact CG2-CD1 4.08Å; V330-I332 HydrophobicContact CG1-CD1 4.27Å; V330-I332 HydrophobicContact CG1-CG1 4.09Å; I332-T340 HydrophobicContact CG2-CG2 3.56Å; I332-R341 VanDerWaalsContact CA-O 3.29Å; I332-R341 WeakPolarHBondContact CA-O 3.08Å; I332-V342 HydrophobicContact CG1-CG1 4.34Å; I332-V342 HydrophobicContact CG1-CG2 4.2Å; I332-V342 HydrophobicContact CG2-CG2 4.1Å; I332-L366 HydrophobicContact CD1-CD2 4.33Å; I332-L370 HydrophobicContact CD1-CD1 3.36Å; I332-L370 HydrophobicContact CG2-CD1 4.07Å
333	Y	98.4	Very high	96.4	Very high	18 Å²	18	25 Å²	25	7%	0.071	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	143.5	178.2	48.1	-92.1	0	0	0	111.2	E163 L164 L331 I335 R341 L343	E163-Y333 HydrophobicContact CB-CE2 3.78Å; L164-Y333 HydrophobicContact CB-CD2 4.41Å; L164-Y333 HydrophobicContact CB-CE2 4.3Å; L164-Y333 HydrophobicContact CD1-CD1 4.1Å; L164-Y333 HydrophobicContact CD1-CD2 4.37Å; L164-Y333 HydrophobicContact CD1-CG 3.94Å; L331-Y333 HydrophobicContact CB-CE1 4.32Å; Y333-I335 HydrophobicContact CD2-CG2 3.67Å; Y333-I335 HydrophobicContact CE2-CG2 3.69Å; Y333-R341 HydrophobicContact CD2-CB 4.02Å; Y333-R341 HydrophobicContact CE1-CG 4.27Å; Y333-R341 HydrophobicContact CE2-CB 3.7Å; Y333-R341 HydrophobicContact CE2-CG 3.79Å; Y333-R341 PolarHBondContact N-O 2.75Å; Y333-R341 PolarHBondContact O-N 3Å; Y333-L343 HydrophobicContact CE1-CD1 4.09Å; Y333-L343 WeakPolarHBondContact OH-CD1 3.38Å
334	Q	98.3	Very high	96.4	Very high	33 Å²	33	25 Å²	25	15%	0.154	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	130.2	-179.5	-163.3	178.1	0.2	0	0	110.5	R188 S221 S336 S337 E339	R188-Q334 HydrophobicContact CG-CB 4.09Å; R188-Q334 HydrophobicContact CG-CG 3.92Å; S221-Q334 VanDerWaalsContact CB-O 3.23Å; S221-Q334 WeakPolarHBondContact CB-O 3.43Å; S221-Q334 PolarHBondContact OG-O 3.01Å; Q334-S336 WeakPolarHBondContact CG-O 3.35Å; Q334-S336 PolarHBondContact NE2-O 2.95Å; Q334-S337 PolarHBondContact NE2-O 3.14Å; Q334-E339 WeakPolarHBondContact CG-O 3.3Å
335	I	98	Very high	96.4	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.133	C	C	.	.			trans	-112.1	-12.3	-176.6	60.1	171.9	0	0	0	113.2	E163 F222 R223 Y333 E339 R341	E163-I335 HydrophobicContact CB-CG2 4.03Å; F222-I335 CarbonylContact C-O 3.54Å; F222-I335 VanDerWaalsContact CA-O 3.3Å; F222-I335 WeakPolarHBondContact CA-O 3.42Å; R223-I335 HydrophobicContact CG-CD1 4.01Å; R223-I335 HydrophobicContact CG-CG1 4.44Å; R223-I335 PolarHBondContact N-O 3.18Å; Y333-I335 HydrophobicContact CD2-CG2 3.67Å; Y333-I335 HydrophobicContact CE2-CG2 3.69Å; I335-E339 HydrophobicContact CD1-CB 4.37Å; I335-E339 HydrophobicContact CG1-CB 3.93Å; I335-E339 PolarHBondContact N-O 3.16Å; I335-R341 HydrophobicContact CD1-CB 4.45Å; I335-R341 HydrophobicContact CG2-CB 3.82Å
336	S	97.7	Very high	96.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-153.4	175.4	174.3	77.5	0	0	0	0	109.7	D186 Q334 T338 E339	D186-S336 WeakPolarHBondContact OD2-CA 3.12Å; D186-S336 VanDerWaalsContact OD2-CB 3.25Å; D186-S336 WeakPolarHBondContact OD2-CB 3.23Å; Q334-S336 WeakPolarHBondContact CG-O 3.35Å; Q334-S336 PolarHBondContact NE2-O 2.95Å; S336-T338 PolarHBondContact O-N 3.34Å; S336-T338 VanDerWaalsContact O-N 3.1Å; S336-T338 PolarHBondContact OG-N 2.91Å; S336-E339 PolarHBondContact N-O 2.99Å; S336-E339 WeakPolarHBondContact OG-CB 3.35Å; S336-E339 WeakPolarHBondContact OG-CG 3.33Å; S336-E339 PolarHBondContact OG-N 2.84Å
337	S	96.3	Very high	96.8	Very high	62 Å²	62	21.4 Å²	21.4	43%	0.434	12%	0.115	S	C	.	.	S	Bend	trans	-56.7	-24.7	175.9	49.6	0	0	0	0	113.6	D186 R188 Q334	D186-S337 PolarHBondContact OD2-N 2.97Å; D186-S337 PolarHBondContact OD2-OG 2.92Å; R188-S337 VanDerWaalsContact CZ-N 3.28Å; Q334-S337 PolarHBondContact NE2-O 3.14Å
338	T	96.3	Very high	97.1	Very high	79 Å²	79	20.3 Å²	20.3	49%	0.485	12%	0.118	S	C	.	.	S	Bend	trans	-121.7	-9.7	-174.6	58.8	0	0	0	0	114.6	K310 A311 S336	K310-T338 WeakPolarHBondContact CA-O 3.31Å; A311-T338 PolarHBondContact N-O 2.86Å; S336-T338 PolarHBondContact O-N 3.34Å; S336-T338 VanDerWaalsContact O-N 3.1Å; S336-T338 PolarHBondContact OG-N 2.91Å
339	E	97.6	Very high	97.1	Very high	39 Å²	39	28.4 Å²	28.4	18%	0.182	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134.8	-171.7	-62.8	173.7	163.5	0	0	112.9	R223 I308 L309 Q334 I335 S336	R223-E339 IonicContact CZ-OE2 3.46Å; R223-E339 IonicContact NE-OE2 2.76Å; R223-E339 IonicContact NH1-OE1 3.44Å; R223-E339 PolarHBondContact NH1-OE1 3.47Å; R223-E339 IonicContact NH1-OE2 3.2Å; R223-E339 PolarHBondContact NH1-OE2 3.1Å; I308-E339 HydrophobicContact CG2-CB 3.64Å; I308-E339 HydrophobicContact CG2-CG 3.78Å; L309-E339 WeakPolarHBondContact O-CA 3.24Å; Q334-E339 WeakPolarHBondContact CG-O 3.3Å; I335-E339 HydrophobicContact CD1-CB 4.37Å; I335-E339 HydrophobicContact CG1-CB 3.93Å; I335-E339 PolarHBondContact N-O 3.16Å; S336-E339 PolarHBondContact N-O 2.99Å; S336-E339 WeakPolarHBondContact OG-CB 3.35Å; S336-E339 WeakPolarHBondContact OG-CG 3.33Å; S336-E339 PolarHBondContact OG-N 2.84Å
340	T	98.4	Very high	97	Very high	7 Å²	7	30.9 Å²	30.9	4%	0.043	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.2	175.5	-61.9	0	0	0	0	110.3	L309 I332	L309-T340 PolarHBondContact N-O 3.21Å; L309-T340 PolarHBondContact O-N 2.83Å; I332-T340 HydrophobicContact CG2-CG2 3.56Å
341	R	98.3	Very high	96.9	Very high	11 Å²	11	32.6 Å²	32.6	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	134.6	174.7	173.5	61.3	66.1	-152.5	-2.3	109.3	E163 C307 I332 Y333 I335 L343	E163-R341 IonicContact OE1-CZ 2.63Å; E163-R341 IonicContact OE1-NE 3.58Å; E163-R341 IonicContact OE1-NH2 3.99Å; E163-R341 PolarHBondContact OE1-NH2 2.9Å; E163-R341 WeakPolarHBondContact OE2-CG 3.4Å; E163-R341 IonicContact OE2-CZ 3.32Å; E163-R341 IonicContact OE2-NE 3.9Å; E163-R341 PolarHBondContact OE2-NE 3.45Å; E163-R341 IonicContact OE2-NH2 3.55Å; E163-R341 PolarHBondContact OE2-NH2 2.86Å; C307-R341 WeakPolarHBondContact O-CD 3.36Å; C307-R341 PolarHBondContact O-NH1 2.79Å; I332-R341 VanDerWaalsContact CA-O 3.29Å; I332-R341 WeakPolarHBondContact CA-O 3.08Å; Y333-R341 HydrophobicContact CD2-CB 4.02Å; Y333-R341 HydrophobicContact CE1-CG 4.27Å; Y333-R341 HydrophobicContact CE2-CB 3.7Å; Y333-R341 HydrophobicContact CE2-CG 3.79Å; Y333-R341 PolarHBondContact N-O 2.75Å; Y333-R341 PolarHBondContact O-N 3Å; I335-R341 HydrophobicContact CD1-CB 4.45Å; I335-R341 HydrophobicContact CG2-CB 3.82Å; R341-L343 HydrophobicContact CG-CD1 4.41Å; R341-L343 HydrophobicContact CG-CD2 4.25Å; R341-L343 HydrophobicContact CG-CG 3.89Å
342	V	98.3	Very high	96.7	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.1	162	178.4	0	0	0	0	108.2	G306 C307 L309 V330 L331 I332 V344 F374	G306-V342 VanDerWaalsContact CA-O 3.25Å; G306-V342 WeakPolarHBondContact CA-O 3.21Å; C307-V342 PolarHBondContact N-O 2.73Å; C307-V342 VanDerWaalsContact N-O 3.12Å; C307-V342 PolarHBondContact O-N 2.8Å; C307-V342 VanDerWaalsContact O-N 3.16Å; L309-V342 HydrophobicContact CD1-CG2 3.68Å; L309-V342 HydrophobicContact CD2-CG2 3.98Å; L309-V342 HydrophobicContact CG-CG2 3.69Å; V330-V342 HydrophobicContact CG1-CG1 3.61Å; L331-V342 CarbonylContact O-C 3.57Å; L331-V342 WeakPolarHBondContact O-CA 3.09Å; I332-V342 HydrophobicContact CG1-CG1 4.34Å; I332-V342 HydrophobicContact CG1-CG2 4.2Å; I332-V342 HydrophobicContact CG2-CG2 4.1Å; V342-V344 HydrophobicContact CG1-CG2 4.11Å; V342-F374 HydrophobicContact CG1-CD2 4.28Å; V342-F374 HydrophobicContact CG1-CE2 3.98Å; V342-F374 HydrophobicContact CG2-CD2 4.42Å
343	L	98.4	Very high	96.6	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	112.3	172.5	-63.8	172.6	0	0	0	108.9	I160 F304 V330 L331 Y333 R341	I160-L343 HydrophobicContact CB-CD2 4.46Å; I160-L343 HydrophobicContact CD1-CD2 4.38Å; F304-L343 HydrophobicContact CB-CD2 4.42Å; F304-L343 HydrophobicContact CD2-CB 4.07Å; F304-L343 HydrophobicContact CD2-CD1 3.77Å; F304-L343 HydrophobicContact CD2-CD2 4.44Å; F304-L343 HydrophobicContact CD2-CG 4.32Å; F304-L343 HydrophobicContact CE2-CB 4.33Å; F304-L343 HydrophobicContact CE2-CD1 3.93Å; F304-L343 HydrophobicContact CG-CB 4.31Å; V330-L343 CarbonylContact C-O 3.13Å; V330-L343 WeakPolarHBondContact CA-O 3.31Å; L331-L343 HydrophobicContact CB-CB 4.26Å; L331-L343 PolarHBondContact N-O 2.76Å; L331-L343 PolarHBondContact O-N 3.42Å; Y333-L343 HydrophobicContact CE1-CD1 4.09Å; Y333-L343 WeakPolarHBondContact OH-CD1 3.38Å; R341-L343 HydrophobicContact CG-CD1 4.41Å; R341-L343 HydrophobicContact CG-CD2 4.25Å; R341-L343 HydrophobicContact CG-CG 3.89Å
344	V	98.1	Very high	96.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.4	175.1	178.1	0	0	0	0	108.7	F304 V305 V330 V342 I346 M358 I362	F304-V344 CarbonylContact C-O 3.29Å; F304-V344 WeakPolarHBondContact CA-O 3.44Å; V305-V344 PolarHBondContact N-O 3.49Å; V305-V344 PolarHBondContact O-N 3.29Å; V330-V344 HydrophobicContact CG1-CG2 3.94Å; V330-V344 HydrophobicContact CG2-CG1 4.33Å; V330-V344 HydrophobicContact CG2-CG2 4.11Å; V342-V344 HydrophobicContact CG1-CG2 4.11Å; V344-I346 HydrophobicContact CG1-CG1 4.3Å; V344-M358 HydrophobicContact CB-CE 3.85Å; V344-M358 HydrophobicContact CB-SD 4.06Å; V344-M358 HydrophobicContact CG1-CE 4.47Å; V344-M358 HydrophobicContact CG1-SD 4.29Å; V344-M358 HydrophobicContact CG2-CE 3.8Å; V344-M358 HydrophobicContact CG2-SD 3.6Å; V344-I362 HydrophobicContact CG1-CD1 3.61Å; V344-I362 HydrophobicContact CG1-CG1 3.78Å; V344-I362 HydrophobicContact CG1-CG2 4.48Å; V344-I362 HydrophobicContact CG2-CG1 4.49Å; V344-I362 HydrophobicContact CG2-CG2 3.93Å
345	D	97.9	Very high	96.4	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	134.9	171.2	-177	78.8	0	0	0	112	S302 F304 S328 P329 H412 Y472	S302-D345 WeakPolarHBondContact CB-OD1 3.32Å; S302-D345 PolarHBondContact OG-OD1 2.84Å; F304-D345 HydrophobicContact CD1-CB 3.89Å; F304-D345 HydrophobicContact CE1-CB 3.68Å; S328-D345 WeakPolarHBondContact CB-O 3.31Å; S328-D345 WeakPolarHBondContact CB-OD2 3.31Å; S328-D345 PolarHBondContact OG-OD2 3.21Å; P329-D345 HydrophobicContact CG-CB 4.24Å; P329-D345 WeakPolarHBondContact O-CB 3.42Å; P329-D345 PolarHBondContact O-N 3.31Å; P329-D345 VanDerWaalsContact O-N 3.14Å; D345-H412 IonicContact OD1-CE1 3.72Å; D345-H412 IonicContact OD1-NE2 3.75Å; D345-Y472 WeakPolarHBondContact OD2-CE2 3.25Å
346	I	97.1	Very high	96.3	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	109.2	173.9	-56.1	-175.3	0	0	0	108.6	S302 H303 V305 V344 M350 P351 L354 Y357	S302-I346 VanDerWaalsContact CB-O 3.26Å; S302-I346 WeakPolarHBondContact CB-O 3.43Å; H303-I346 PolarHBondContact N-O 2.83Å; H303-I346 PolarHBondContact O-N 2.9Å; V305-I346 HydrophobicContact CG2-CD1 3.61Å; V305-I346 HydrophobicContact CG2-CG1 4.15Å; V344-I346 HydrophobicContact CG1-CG1 4.3Å; I346-M350 HydrophobicContact CB-CE 4.49Å; I346-M350 HydrophobicContact CB-SD 4.04Å; I346-M350 HydrophobicContact CD1-CE 4.06Å; I346-M350 HydrophobicContact CG2-SD 3.94Å; I346-P351 HydrophobicContact CD1-CG 4.23Å; I346-L354 HydrophobicContact CD1-CD2 4.34Å; I346-Y357 HydrophobicContact CD1-CD1 3.78Å; I346-Y357 HydrophobicContact CD1-CE1 3.59Å; I346-Y357 HydrophobicContact CG1-CE1 3.89Å
347	R	94.5	Very high	96.3	Very high	85 Å²	85	55.3 Å²	55.3	32%	0.321	28%	0.283	S	S	.	.			trans	-83.9	139.3	174.6	-168.4	173.8	-173.3	154.1	9.1	110.8	Y472 E473 A476	R347-Y472 WeakPolarHBondContact CD-OH 3.43Å; R347-Y472 WeakPolarHBondContact CG-OH 3.48Å; R347-E473 IonicContact CZ-OE2 3.25Å; R347-E473 VanDerWaalsContact CZ-OE2 3.3Å; R347-E473 IonicContact NH1-OE2 3.84Å; R347-E473 PolarHBondContact NH1-OE2 2.96Å; R347-E473 IonicContact NH2-OE1 3.2Å; R347-E473 PolarHBondContact NH2-OE1 3.39Å; R347-E473 IonicContact NH2-OE2 2.64Å; R347-E473 PolarHBondContact NH2-OE2 2.92Å; R347-A476 PolarHBondContact NH1-O 3.3Å
348	G	91.8	Very high	96.3	Very high	52 Å²	52	52.4 Å²	52.4	54%	0.536	26%	0.262	S	S	.	.	S	Bend	trans	86	-143.2	175.9	0	0	0	0	0	114
349	E	91.9	Very high	96.4	Very high	175 Å²	175	51.4 Å²	51.4	82%	0.818	25%	0.253	S	S	*	.	S	Bend	trans	-71.7	133.7	-179	-169.8	178.7	173.8	0	0	110.8
350	M	95.3	Very high	96.3	Very high	54 Å²	54	55 Å²	55	27%	0.266	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-72.9	134.5	-179.7	-68.9	-61.4	-66.2	0	0	111	H303 V305 I346 K352 L354 T385	H303-M350 HydrophobicContact CB-CE 4.15Å; H303-M350 HydrophobicContact CB-SD 3.54Å; H303-M350 VanDerWaalsContact CB-SD 3.54Å; V305-M350 HydrophobicContact CG2-CE 3.65Å; I346-M350 HydrophobicContact CB-CE 4.49Å; I346-M350 HydrophobicContact CB-SD 4.04Å; I346-M350 HydrophobicContact CD1-CE 4.06Å; I346-M350 HydrophobicContact CG2-SD 3.94Å; M350-K352 PolarHBondContact O-N 3.34Å; M350-L354 HydrophobicContact CE-CD2 3.77Å; M350-T385 HydrophobicContact CE-CG2 4.17Å
351	P	95.1	Very high	96.2	Very high	35 Å²	35	59.2 Å²	59.2	23%	0.227	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-57.2	138	172.9	-22.1	30	0	0	0	111.4	I346 N353 L354 Y357	I346-P351 HydrophobicContact CD1-CG 4.23Å; P351-N353 VanDerWaalsContact C-N 3.31Å; P351-N353 PolarHBondContact O-N 2.84Å; P351-L354 HydrophobicContact CB-CD2 4.31Å; P351-L354 HydrophobicContact CG-CD2 4.4Å; P351-Y357 HydrophobicContact CB-CD2 4.08Å; P351-Y357 HydrophobicContact CB-CG 4.12Å; P351-Y357 HydrophobicContact CG-CD1 4.17Å; P351-Y357 HydrophobicContact CG-CD2 3.41Å; P351-Y357 VanDerWaalsContact CG-CD2 3.41Å; P351-Y357 HydrophobicContact CG-CE2 3.93Å; P351-Y357 HydrophobicContact CG-CG 3.56Å
352	K	93.9	Very high	96.2	Very high	212 Å²	212	58.9 Å²	58.9	92%	0.922	29%	0.288	S	S	*	.	S	Bend	trans	-61.6	-40.4	176.6	-68.3	-179.4	-179.6	176.6	0	111.9	M350	M350-K352 PolarHBondContact O-N 3.34Å
353	N	95.9	Very high	96.1	Very high	79 Å²	79	62.3 Å²	62.3	42%	0.422	30%	0.301	S	S	.	.			trans	-112	97.6	176.2	-170.9	-9.4	0	0	0	110.3	P351 K355 E356 Y357	P351-N353 VanDerWaalsContact C-N 3.31Å; P351-N353 PolarHBondContact O-N 2.84Å; N353-K355 VanDerWaalsContact C-N 3.35Å; N353-K355 PolarHBondContact O-N 3.13Å; N353-K355 PolarHBondContact OD1-N 3.06Å; N353-E356 HydrophobicContact CB-CB 3.97Å; N353-E356 WeakPolarHBondContact CB-OE2 3.27Å; N353-E356 VanDerWaalsContact CG-CB 3.49Å; N353-E356 WeakPolarHBondContact ND2-CB 3.41Å; N353-E356 PolarHBondContact ND2-OE2 3.21Å; N353-E356 PolarHBondContact OD1-N 3.49Å; N353-Y357 PolarHBondContact O-N 3.13Å; N353-Y357 VanDerWaalsContact O-N 3.12Å
354	L	96.2	Very high	96.1	Very high	38 Å²	38	65.6 Å²	65.6	20%	0.199	32%	0.323	C	S	.	.	H	α-helix	trans	-67.3	-34.3	-178.5	-64	177.3	0	0	0	112.7	V305 I346 M350 P351 Y357 M358 L383 T385	V305-L354 HydrophobicContact CG1-CD1 4.31Å; V305-L354 HydrophobicContact CG2-CD2 4.46Å; I346-L354 HydrophobicContact CD1-CD2 4.34Å; M350-L354 HydrophobicContact CE-CD2 3.77Å; P351-L354 HydrophobicContact CB-CD2 4.31Å; P351-L354 HydrophobicContact CG-CD2 4.4Å; L354-Y357 PolarHBondContact O-N 2.97Å; L354-M358 WeakPolarHBondContact O-CB 3.13Å; L354-M358 WeakPolarHBondContact O-CG 3.48Å; L354-M358 PolarHBondContact O-N 2.66Å; L354-L383 HydrophobicContact CB-CD1 3.69Å; L354-T385 HydrophobicContact CD1-CG2 3.77Å
355	K	96.4	Very high	96	Very high	86 Å²	86	66.9 Å²	66.9	37%	0.374	33%	0.329	S	S	.	.	H	α-helix	trans	-66.8	-45.3	-178.9	-70.6	-169.2	173.7	-165.2	0	111.1	N353 M358 I359 V378 Q379 L383	N353-K355 VanDerWaalsContact C-N 3.35Å; N353-K355 PolarHBondContact O-N 3.13Å; N353-K355 PolarHBondContact OD1-N 3.06Å; K355-M358 PolarHBondContact O-N 2.63Å; K355-I359 WeakPolarHBondContact O-CG1 3.45Å; K355-I359 PolarHBondContact O-N 3.04Å; K355-V378 HydrophobicContact CB-CG1 4.17Å; K355-V378 WeakPolarHBondContact CD-O 3.44Å; K355-V378 VanDerWaalsContact CE-O 3.27Å; K355-V378 WeakPolarHBondContact CE-O 3.47Å; K355-V378 HydrophobicContact CG-CG1 4.28Å; K355-Q379 PolarHBondContact NZ-O 3.47Å; K355-L383 HydrophobicContact CG-CD1 3.94Å
356	E	97	Very high	96	Very high	94 Å²	94	67.2 Å²	67.2	44%	0.439	33%	0.331	S	S	.	.	H	α-helix	trans	-60.3	-47.1	174.6	-175.7	177	177.9	0	0	111	N353 M358 I359 E360	N353-E356 HydrophobicContact CB-CB 3.97Å; N353-E356 WeakPolarHBondContact CB-OE2 3.27Å; N353-E356 VanDerWaalsContact CG-CB 3.49Å; N353-E356 WeakPolarHBondContact ND2-CB 3.41Å; N353-E356 PolarHBondContact ND2-OE2 3.21Å; N353-E356 PolarHBondContact OD1-N 3.49Å; E356-M358 VanDerWaalsContact C-N 3.31Å; E356-M358 PolarHBondContact O-N 3.11Å; E356-I359 PolarHBondContact O-N 3.3Å; E356-I359 VanDerWaalsContact O-N 3.11Å; E356-E360 HydrophobicContact CG-CG 4.32Å; E356-E360 WeakPolarHBondContact O-CB 3.41Å; E356-E360 WeakPolarHBondContact O-CG 3.38Å; E356-E360 PolarHBondContact O-N 2.97Å
357	Y	96.9	Very high	96	Very high	40 Å²	40	68 Å²	68	16%	0.157	34%	0.336	C	S	.	.	H	α-helix	trans	-56.7	-43.5	175.6	-177.9	-91.6	0	0	0	112.9	I346 P351 N353 L354 H361 I362	I346-Y357 HydrophobicContact CD1-CD1 3.78Å; I346-Y357 HydrophobicContact CD1-CE1 3.59Å; I346-Y357 HydrophobicContact CG1-CE1 3.89Å; P351-Y357 HydrophobicContact CB-CD2 4.08Å; P351-Y357 HydrophobicContact CB-CG 4.12Å; P351-Y357 HydrophobicContact CG-CD1 4.17Å; P351-Y357 HydrophobicContact CG-CD2 3.41Å; P351-Y357 VanDerWaalsContact CG-CD2 3.41Å; P351-Y357 HydrophobicContact CG-CE2 3.93Å; P351-Y357 HydrophobicContact CG-CG 3.56Å; N353-Y357 PolarHBondContact O-N 3.13Å; N353-Y357 VanDerWaalsContact O-N 3.12Å; L354-Y357 PolarHBondContact O-N 2.97Å; Y357-H361 HydrophobicContact CD2-CB 4.38Å; Y357-H361 AromaticContact CD2-CD2 3.38Å; Y357-H361 WeakPolarHBondContact CD2-CD2 3.34Å; Y357-H361 HydrophobicContact CE2-CB 4.21Å; Y357-H361 AromaticContact CE2-CD2 3.73Å; Y357-H361 WeakPolarHBondContact O-CB 3.45Å; Y357-H361 PolarHBondContact O-N 3.3Å; Y357-I362 HydrophobicContact CD1-CG1 4.13Å; Y357-I362 HydrophobicContact CE1-CD1 3.83Å; Y357-I362 HydrophobicContact CE1-CG1 3.84Å; Y357-I362 PolarHBondContact O-N 3.33Å
358	M	97.1	Very high	96.1	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.005	35%	0.353	C	S	.	.	I	π-helix	trans	-63.3	-40.2	177.4	-69.9	-70.3	-166.3	0	0	112.4	V305 V344 L354 K355 E356 I362 Y363 F374 V378 L383	V305-M358 HydrophobicContact CB-CE 3.45Å; V305-M358 VanDerWaalsContact CB-CE 3.45Å; V305-M358 HydrophobicContact CG1-CE 3.25Å; V305-M358 HydrophobicContact CG2-CE 4.44Å; V344-M358 HydrophobicContact CB-CE 3.85Å; V344-M358 HydrophobicContact CB-SD 4.06Å; V344-M358 HydrophobicContact CG1-CE 4.47Å; V344-M358 HydrophobicContact CG1-SD 4.29Å; V344-M358 HydrophobicContact CG2-CE 3.8Å; V344-M358 HydrophobicContact CG2-SD 3.6Å; L354-M358 WeakPolarHBondContact O-CB 3.13Å; L354-M358 WeakPolarHBondContact O-CG 3.48Å; L354-M358 PolarHBondContact O-N 2.66Å; K355-M358 PolarHBondContact O-N 2.63Å; E356-M358 VanDerWaalsContact C-N 3.31Å; E356-M358 PolarHBondContact O-N 3.11Å; M358-I362 WeakPolarHBondContact O-CB 3.39Å; M358-I362 PolarHBondContact O-N 3.28Å; M358-I362 HydrophobicContact SD-CB 4.42Å; M358-I362 HydrophobicContact SD-CG1 4.12Å; M358-Y363 PolarHBondContact O-N 3.49Å; M358-F374 HydrophobicContact CB-CE1 4.26Å; M358-F374 HydrophobicContact CB-CZ 4.04Å; M358-F374 HydrophobicContact CG-CZ 4.45Å; M358-F374 HydrophobicContact SD-CE2 4.47Å; M358-F374 HydrophobicContact SD-CZ 3.85Å; M358-V378 HydrophobicContact CB-CG1 3.78Å; M358-V378 HydrophobicContact CB-CG2 3.91Å; M358-V378 HydrophobicContact CG-CG1 4.45Å; M358-V378 HydrophobicContact CG-CG2 4.35Å; M358-L383 HydrophobicContact CE-CD1 4.46Å; M358-L383 HydrophobicContact CG-CD1 4Å
359	I	97.4	Very high	96.4	Very high	58 Å²	58	69.9 Å²	69.9	30%	0.297	34%	0.339	S	S	.	.	I	π-helix	trans	-77.8	-42	-177.4	-67	169.2	0	0	0	111.7	K355 E356 Y363 L375 V378 Q379	K355-I359 WeakPolarHBondContact O-CG1 3.45Å; K355-I359 PolarHBondContact O-N 3.04Å; E356-I359 PolarHBondContact O-N 3.3Å; E356-I359 VanDerWaalsContact O-N 3.11Å; I359-Y363 WeakPolarHBondContact O-CB 3.39Å; I359-L375 HydrophobicContact CD1-CD1 4.22Å; I359-L375 HydrophobicContact CG1-CD1 3.94Å; I359-L375 HydrophobicContact CG2-CD1 4.31Å; I359-V378 HydrophobicContact CD1-CG1 4.19Å; I359-V378 HydrophobicContact CG1-CG1 3.96Å; I359-Q379 HydrophobicContact CD1-CG 4.45Å
360	E	96.7	Very high	96.6	Very high	114 Å²	114	61.6 Å²	61.6	53%	0.533	30%	0.3	S	S	.	.	I	π-helix	trans	-85.5	-36.7	-173.4	-64.5	-170.2	169.8	0	0	112.7	E356 P364	E356-E360 HydrophobicContact CG-CG 4.32Å; E356-E360 WeakPolarHBondContact O-CB 3.41Å; E356-E360 WeakPolarHBondContact O-CG 3.38Å; E356-E360 PolarHBondContact O-N 2.97Å; E360-P364 WeakPolarHBondContact O-CG 3.27Å
361	H	95.9	Very high	96.7	Very high	97 Å²	97	61.4 Å²	61.4	45%	0.449	30%	0.298	S	S	.	.	I	π-helix	trans	-103.8	-40	-174.9	-59.9	-61.7	0	0	0	112.9	Y357 Q365	Y357-H361 HydrophobicContact CD2-CB 4.38Å; Y357-H361 AromaticContact CD2-CD2 3.38Å; Y357-H361 WeakPolarHBondContact CD2-CD2 3.34Å; Y357-H361 HydrophobicContact CE2-CB 4.21Å; Y357-H361 AromaticContact CE2-CD2 3.73Å; Y357-H361 WeakPolarHBondContact O-CB 3.45Å; Y357-H361 PolarHBondContact O-N 3.3Å; H361-Q365 PolarHBondContact O-NE2 3.43Å
362	I	97.4	Very high	96.8	Very high	3 Å²	3	66.5 Å²	66.5	2%	0.015	32%	0.319	C	S	.	.	I	π-helix	trans	-89.5	-50.1	-172.8	-54.6	-59.7	0	0	0	112.3	V330 V344 Y357 M358 P364 Q365 L366 F374	V330-I362 HydrophobicContact CG2-CG2 4.14Å; V344-I362 HydrophobicContact CG1-CD1 3.61Å; V344-I362 HydrophobicContact CG1-CG1 3.78Å; V344-I362 HydrophobicContact CG1-CG2 4.48Å; V344-I362 HydrophobicContact CG2-CG1 4.49Å; V344-I362 HydrophobicContact CG2-CG2 3.93Å; Y357-I362 HydrophobicContact CD1-CG1 4.13Å; Y357-I362 HydrophobicContact CE1-CD1 3.83Å; Y357-I362 HydrophobicContact CE1-CG1 3.84Å; Y357-I362 PolarHBondContact O-N 3.33Å; M358-I362 WeakPolarHBondContact O-CB 3.39Å; M358-I362 PolarHBondContact O-N 3.28Å; M358-I362 HydrophobicContact SD-CB 4.42Å; M358-I362 HydrophobicContact SD-CG1 4.12Å; I362-P364 VanDerWaalsContact C-CD 3.44Å; I362-Q365 WeakPolarHBondContact O-CB 3.2Å; I362-Q365 PolarHBondContact O-N 3.12Å; I362-L366 HydrophobicContact CG2-CD2 4.26Å; I362-L366 HydrophobicContact CG2-CG 4.33Å; I362-L366 PolarHBondContact O-N 2.82Å; I362-F374 HydrophobicContact CB-CZ 4.25Å; I362-F374 HydrophobicContact CG2-CE1 4.44Å; I362-F374 HydrophobicContact CG2-CZ 3.88Å
363	Y	97.7	Very high	97	Very high	73 Å²	73	57.4 Å²	57.4	29%	0.286	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-50.4	-43.4	-177.3	164.8	-93.4	0	0	0	114.5	M358 I359 Q365 L366 K371 F374 L375	M358-Y363 PolarHBondContact O-N 3.49Å; I359-Y363 WeakPolarHBondContact O-CB 3.39Å; Y363-Q365 PolarHBondContact O-N 3.44Å; Y363-Q365 VanDerWaalsContact O-N 3.14Å; Y363-L366 PolarHBondContact O-N 3.37Å; Y363-K371 HydrophobicContact CD2-CB 4.24Å; Y363-K371 HydrophobicContact CD2-CG 4.32Å; Y363-K371 HydrophobicContact CE2-CB 3.59Å; Y363-K371 HydrophobicContact CE2-CD 4.44Å; Y363-K371 HydrophobicContact CE2-CG 3.97Å; Y363-K371 VanDerWaalsContact CE2-O 3.32Å; Y363-K371 WeakPolarHBondContact CE2-O 3.31Å; Y363-F374 HydrophobicContact CD2-CD1 4.2Å; Y363-L375 HydrophobicContact CD2-CB 4.19Å; Y363-L375 HydrophobicContact CE2-CB 4.01Å; Y363-L375 HydrophobicContact CE2-CD2 4.38Å
364	P	97.1	Very high	97.1	Very high	75 Å²	75	53.7 Å²	53.7	49%	0.487	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-64.4	-20.1	179.1	-22.3	34.7	0	0	0	114	E360 I362	E360-P364 WeakPolarHBondContact O-CG 3.27Å; I362-P364 VanDerWaalsContact C-CD 3.44Å
365	Q	97.3	Very high	97.2	Very high	28 Å²	28	54 Å²	54	13%	0.131	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-97	-4.5	-176.8	-60.3	-175.1	82	0	0	112.9	I198 A325 K326 H361 I362 Y363	I198-Q365 HydrophobicContact CD1-CB 4.08Å; I198-Q365 HydrophobicContact CD1-CG 3.99Å; I198-Q365 VanDerWaalsContact CG2-O 3.25Å; I198-Q365 WeakPolarHBondContact CG2-O 3.37Å; A325-Q365 HydrophobicContact CB-CB 4.34Å; K326-Q365 VanDerWaalsContact CG-OE1 3.3Å; H361-Q365 PolarHBondContact O-NE2 3.43Å; I362-Q365 WeakPolarHBondContact O-CB 3.2Å; I362-Q365 PolarHBondContact O-N 3.12Å; Y363-Q365 PolarHBondContact O-N 3.44Å; Y363-Q365 VanDerWaalsContact O-N 3.14Å
366	L	97.4	Very high	97.2	Very high	7 Å²	7	54 Å²	54	4%	0.037	27%	0.266	C	S	.	.	S	Bend	trans	-80	150.3	178.6	-66	178.8	0	0	0	111.4	V323 V330 I332 I362 Y363 K371 F374	V323-L366 HydrophobicContact CG2-CD2 4.46Å; V330-L366 HydrophobicContact CG1-CD2 4.27Å; I332-L366 HydrophobicContact CD1-CD2 4.33Å; I362-L366 HydrophobicContact CG2-CD2 4.26Å; I362-L366 HydrophobicContact CG2-CG 4.33Å; I362-L366 PolarHBondContact O-N 2.82Å; Y363-L366 PolarHBondContact O-N 3.37Å; L366-K371 HydrophobicContact CB-CG 4.33Å; L366-K371 WeakPolarHBondContact O-CE 3.26Å; L366-F374 HydrophobicContact CD1-CB 3.69Å; L366-F374 HydrophobicContact CD1-CD1 3.47Å; L366-F374 VanDerWaalsContact CD1-CD1 3.47Å; L366-F374 HydrophobicContact CD1-CD2 3.49Å; L366-F374 VanDerWaalsContact CD1-CD2 3.49Å; L366-F374 HydrophobicContact CD1-CE1 3.87Å; L366-F374 HydrophobicContact CD1-CE2 3.9Å; L366-F374 HydrophobicContact CD1-CG 3.25Å; L366-F374 HydrophobicContact CD1-CZ 4.06Å
367	P	96.9	Very high	97.2	Very high	21 Å²	21	49.8 Å²	49.8	14%	0.136	25%	0.247	C	C	.	.			trans	-55.3	146.7	167.5	-26.3	35.7	0	0	0	112.4	H196 V323 H369 L370 K371	H196-P367 HydrophobicContact CB-CG 4.36Å; V323-P367 HydrophobicContact CG2-CG 4.1Å; P367-H369 VanDerWaalsContact C-N 3.27Å; P367-H369 WeakPolarHBondContact CB-CE1 3.22Å; P367-H369 WeakPolarHBondContact CB-ND1 3.19Å; P367-H369 PolarHBondContact O-N 3.44Å; P367-L370 PolarHBondContact O-N 3.37Å; P367-K371 PolarHBondContact O-N 2.88Å
368	D	96.8	Very high	97.2	Very high	126 Å²	126	47.9 Å²	47.9	67%	0.674	24%	0.239	S	C	*	.	H	α-helix	trans	-59	-35.9	-172.6	-70.7	-28.2	0	0	0	113.3	L370 K371	D368-L370 PolarHBondContact O-N 3.39Å; D368-L370 VanDerWaalsContact O-N 3.12Å; D368-K371 PolarHBondContact O-N 2.66Å; D368-K371 WeakPolarHBondContact OD1-CE 3.25Å; D368-K371 IonicContact OD1-NZ 3.39Å; D368-K371 PolarHBondContact OD1-NZ 3.45Å
369	H	96.9	Very high	97	Very high	51 Å²	51	52.8 Å²	52.8	24%	0.236	26%	0.262	C	S	.	.	H	α-helix	trans	-65.8	-13.6	179.2	68.7	-75.3	0	0	0	113.9	P313 F315 E321 P367	P313-H369 HydrophobicContact CG-CB 4.16Å; P313-H369 WeakPolarHBondContact CG-O 3.33Å; F315-H369 AromaticContact CD2-CE1 3.99Å; E321-H369 VanDerWaalsContact CD-NE2 3.34Å; E321-H369 IonicContact OE1-CD2 3.66Å; E321-H369 IonicContact OE1-CE1 2.72Å; E321-H369 IonicContact OE1-NE2 3.93Å; E321-H369 PolarHBondContact OE1-NE2 3.21Å; E321-H369 IonicContact OE2-CE1 2.94Å; E321-H369 PolarHBondContact OE2-CE1 3.2Å; E321-H369 IonicContact OE2-NE2 2.62Å; E321-H369 PolarHBondContact OE2-NE2 3.25Å; P367-H369 VanDerWaalsContact C-N 3.27Å; P367-H369 WeakPolarHBondContact CB-CE1 3.22Å; P367-H369 WeakPolarHBondContact CB-ND1 3.19Å; P367-H369 PolarHBondContact O-N 3.44Å
370	L	97.8	Very high	96.7	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-111.6	-11.6	-179.5	-61.1	176.5	0	0	0	113.8	L309 A312 E321 I332 P367 D368 P373 F374	L309-L370 HydrophobicContact CD1-CD2 4.29Å; A312-L370 HydrophobicContact CB-CD2 4.21Å; E321-L370 WeakPolarHBondContact OE2-CD1 3.24Å; I332-L370 HydrophobicContact CD1-CD1 3.36Å; I332-L370 HydrophobicContact CG2-CD1 4.07Å; P367-L370 PolarHBondContact O-N 3.37Å; D368-L370 PolarHBondContact O-N 3.39Å; D368-L370 VanDerWaalsContact O-N 3.12Å; L370-P373 WeakPolarHBondContact O-CD 3.5Å; L370-P373 WeakPolarHBondContact O-CG 3.36Å; L370-F374 WeakPolarHBondContact O-CB 3.35Å; L370-F374 PolarHBondContact O-N 3.08Å
371	K	97.1	Very high	96.3	Very high	51 Å²	51	52.5 Å²	52.5	22%	0.222	27%	0.265	C	S	.	.	H	α-helix	trans	-58.5	-55.1	-175.1	-82.4	-177.1	-178.9	161	0	112.5	Y363 L366 P367 D368 F374 L375	Y363-K371 HydrophobicContact CD2-CB 4.24Å; Y363-K371 HydrophobicContact CD2-CG 4.32Å; Y363-K371 HydrophobicContact CE2-CB 3.59Å; Y363-K371 HydrophobicContact CE2-CD 4.44Å; Y363-K371 HydrophobicContact CE2-CG 3.97Å; Y363-K371 VanDerWaalsContact CE2-O 3.32Å; Y363-K371 WeakPolarHBondContact CE2-O 3.31Å; L366-K371 HydrophobicContact CB-CG 4.33Å; L366-K371 WeakPolarHBondContact O-CE 3.26Å; P367-K371 PolarHBondContact O-N 2.88Å; D368-K371 PolarHBondContact O-N 2.66Å; D368-K371 WeakPolarHBondContact OD1-CE 3.25Å; D368-K371 IonicContact OD1-NZ 3.39Å; D368-K371 PolarHBondContact OD1-NZ 3.45Å; K371-F374 PolarHBondContact O-N 3.44Å; K371-L375 PolarHBondContact O-N 2.79Å
372	E	97.6	Very high	96	Very high	142 Å²	142	57.4 Å²	57.4	66%	0.664	28%	0.28	S	S	*	.	H	α-helix	trans	-59.9	-55.3	-179	-178.9	177.9	-170	0	0	113	F374 L375 I376	E372-F374 PolarHBondContact O-N 2.74Å; E372-L375 PolarHBondContact O-N 2.98Å; E372-I376 HydrophobicContact CG-CD1 3.99Å; E372-I376 WeakPolarHBondContact O-CG1 3.06Å; E372-I376 PolarHBondContact O-N 3.13Å; E372-I376 VanDerWaalsContact O-N 3.11Å
373	P	97.7	Very high	96	Very high	20 Å²	20	58.3 Å²	58.3	13%	0.13	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-31.1	-180	24.2	-34.1	0	0	0	112.3	L309 A312 L370 A377	L309-P373 HydrophobicContact CB-CB 4.29Å; L309-P373 HydrophobicContact CD1-CB 4.4Å; L309-P373 HydrophobicContact CD1-CG 4.41Å; A312-P373 HydrophobicContact CB-CB 4.05Å; A312-P373 HydrophobicContact CB-CG 3.96Å; L370-P373 WeakPolarHBondContact O-CD 3.5Å; L370-P373 WeakPolarHBondContact O-CG 3.36Å; P373-A377 WeakPolarHBondContact O-CB 3.44Å; P373-A377 PolarHBondContact O-N 3.04Å
374	F	98.1	Very high	95.8	Very high	1 Å²	1	58.8 Å²	58.8	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-64.2	-47.2	173.4	-178.5	-94.2	0	0	0	112.8	L309 V342 M358 I362 Y363 L366 L370 K371 E372 I376 A377 V378	L309-F374 HydrophobicContact CD2-CB 4.18Å; L309-F374 HydrophobicContact CD2-CD2 4.26Å; V342-F374 HydrophobicContact CG1-CD2 4.28Å; V342-F374 HydrophobicContact CG1-CE2 3.98Å; V342-F374 HydrophobicContact CG2-CD2 4.42Å; M358-F374 HydrophobicContact CB-CE1 4.26Å; M358-F374 HydrophobicContact CB-CZ 4.04Å; M358-F374 HydrophobicContact CG-CZ 4.45Å; M358-F374 HydrophobicContact SD-CE2 4.47Å; M358-F374 HydrophobicContact SD-CZ 3.85Å; I362-F374 HydrophobicContact CB-CZ 4.25Å; I362-F374 HydrophobicContact CG2-CE1 4.44Å; I362-F374 HydrophobicContact CG2-CZ 3.88Å; Y363-F374 HydrophobicContact CD2-CD1 4.2Å; L366-F374 HydrophobicContact CD1-CB 3.69Å; L366-F374 HydrophobicContact CD1-CD1 3.47Å; L366-F374 VanDerWaalsContact CD1-CD1 3.47Å; L366-F374 HydrophobicContact CD1-CD2 3.49Å; L366-F374 VanDerWaalsContact CD1-CD2 3.49Å; L366-F374 HydrophobicContact CD1-CE1 3.87Å; L366-F374 HydrophobicContact CD1-CE2 3.9Å; L366-F374 HydrophobicContact CD1-CG 3.25Å; L366-F374 HydrophobicContact CD1-CZ 4.06Å; L370-F374 WeakPolarHBondContact O-CB 3.35Å; L370-F374 PolarHBondContact O-N 3.08Å; K371-F374 PolarHBondContact O-N 3.44Å; E372-F374 PolarHBondContact O-N 2.74Å; F374-I376 VanDerWaalsContact C-N 3.33Å; F374-I376 PolarHBondContact O-N 2.93Å; F374-A377 PolarHBondContact O-N 3.48Å; F374-V378 HydrophobicContact CD1-CG2 4.07Å; F374-V378 HydrophobicContact CD2-CG2 4.4Å; F374-V378 HydrophobicContact CE1-CG2 3.72Å; F374-V378 HydrophobicContact CE2-CG2 4.06Å; F374-V378 HydrophobicContact CG-CG2 4.42Å; F374-V378 HydrophobicContact CZ-CG2 3.72Å; F374-V378 WeakPolarHBondContact O-CG2 3.44Å; F374-V378 PolarHBondContact O-N 3.21Å
375	L	97.4	Very high	95.8	Very high	46 Å²	46	58.6 Å²	58.6	24%	0.241	28%	0.283	C	S	.	.	H	α-helix	trans	-60.4	-45.1	178.8	-174.9	61.4	0	0	0	111.3	I359 Y363 K371 E372 A377 V378 Q379	I359-L375 HydrophobicContact CD1-CD1 4.22Å; I359-L375 HydrophobicContact CG1-CD1 3.94Å; I359-L375 HydrophobicContact CG2-CD1 4.31Å; Y363-L375 HydrophobicContact CD2-CB 4.19Å; Y363-L375 HydrophobicContact CE2-CB 4.01Å; Y363-L375 HydrophobicContact CE2-CD2 4.38Å; K371-L375 PolarHBondContact O-N 2.79Å; E372-L375 PolarHBondContact O-N 2.98Å; L375-A377 PolarHBondContact O-N 2.93Å; L375-V378 PolarHBondContact O-N 3.2Å; L375-Q379 WeakPolarHBondContact O-CG 3.14Å; L375-Q379 PolarHBondContact O-N 3.05Å; L375-Q379 VanDerWaalsContact O-N 3.15Å
376	I	97	Very high	95.7	Very high	86 Å²	86	59 Å²	59	44%	0.441	29%	0.286	S	S	.	.	H	α-helix	trans	-59.9	-45.9	176.8	-65.4	169.5	0	0	0	110.7	E372 F374 Q379 N380	E372-I376 HydrophobicContact CG-CD1 3.99Å; E372-I376 WeakPolarHBondContact O-CG1 3.06Å; E372-I376 PolarHBondContact O-N 3.13Å; E372-I376 VanDerWaalsContact O-N 3.11Å; F374-I376 VanDerWaalsContact C-N 3.33Å; F374-I376 PolarHBondContact O-N 2.93Å; I376-Q379 PolarHBondContact O-N 3.34Å; I376-N380 WeakPolarHBondContact CG2-ND2 3.46Å; I376-N380 WeakPolarHBondContact O-CB 3.34Å; I376-N380 PolarHBondContact O-N 3.14Å; I376-N380 VanDerWaalsContact O-N 3.08Å; I376-N380 PolarHBondContact O-ND2 2.93Å
377	A	96.8	Very high	95.7	Very high	4 Å²	4	60.1 Å²	60.1	3%	0.033	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-45	-179.3	0	0	0	0	0	112.4	I308 L309 P373 F374 L375 Q379 N380 D381	I308-A377 WeakPolarHBondContact O-CB 3.45Å; L309-A377 HydrophobicContact CD2-CB 3.51Å; P373-A377 WeakPolarHBondContact O-CB 3.44Å; P373-A377 PolarHBondContact O-N 3.04Å; F374-A377 PolarHBondContact O-N 3.48Å; L375-A377 PolarHBondContact O-N 2.93Å; A377-Q379 VanDerWaalsContact C-N 3.3Å; A377-Q379 PolarHBondContact O-N 3.43Å; A377-N380 PolarHBondContact O-N 2.76Å; A377-D381 WeakPolarHBondContact O-CB 3.48Å; A377-D381 PolarHBondContact O-N 3.43Å
378	V	96.4	Very high	95.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.5	-36.1	-179.4	171.8	0	0	0	0	111.8	K355 M358 I359 F374 L375	K355-V378 HydrophobicContact CB-CG1 4.17Å; K355-V378 WeakPolarHBondContact CD-O 3.44Å; K355-V378 VanDerWaalsContact CE-O 3.27Å; K355-V378 WeakPolarHBondContact CE-O 3.47Å; K355-V378 HydrophobicContact CG-CG1 4.28Å; M358-V378 HydrophobicContact CB-CG1 3.78Å; M358-V378 HydrophobicContact CB-CG2 3.91Å; M358-V378 HydrophobicContact CG-CG1 4.45Å; M358-V378 HydrophobicContact CG-CG2 4.35Å; I359-V378 HydrophobicContact CD1-CG1 4.19Å; I359-V378 HydrophobicContact CG1-CG1 3.96Å; F374-V378 HydrophobicContact CD1-CG2 4.07Å; F374-V378 HydrophobicContact CD2-CG2 4.4Å; F374-V378 HydrophobicContact CE1-CG2 3.72Å; F374-V378 HydrophobicContact CE2-CG2 4.06Å; F374-V378 HydrophobicContact CG-CG2 4.42Å; F374-V378 HydrophobicContact CZ-CG2 3.72Å; F374-V378 WeakPolarHBondContact O-CG2 3.44Å; F374-V378 PolarHBondContact O-N 3.21Å; L375-V378 PolarHBondContact O-N 3.2Å
379	Q	94.2	Very high	95.6	Very high	105 Å²	105	53.3 Å²	53.3	49%	0.491	26%	0.256	S	S	.	.	H	α-helix	trans	-70.4	-46.9	178.1	-72.5	176.3	-14.8	0	0	111.7	K355 I359 L375 I376 A377	K355-Q379 PolarHBondContact NZ-O 3.47Å; I359-Q379 HydrophobicContact CD1-CG 4.45Å; L375-Q379 WeakPolarHBondContact O-CG 3.14Å; L375-Q379 PolarHBondContact O-N 3.05Å; L375-Q379 VanDerWaalsContact O-N 3.15Å; I376-Q379 PolarHBondContact O-N 3.34Å; A377-Q379 VanDerWaalsContact C-N 3.3Å; A377-Q379 PolarHBondContact O-N 3.43Å
380	N	91.3	Very high	95.6	Very high	118 Å²	118	52.3 Å²	52.3	63%	0.631	25%	0.251	S	S	*	.	H	α-helix	trans	-93.2	-30.9	-167.5	-64.8	-52.7	0	0	0	114.8	I376 A377	I376-N380 WeakPolarHBondContact CG2-ND2 3.46Å; I376-N380 WeakPolarHBondContact O-CB 3.34Å; I376-N380 PolarHBondContact O-N 3.14Å; I376-N380 VanDerWaalsContact O-N 3.08Å; I376-N380 PolarHBondContact O-ND2 2.93Å; A377-N380 PolarHBondContact O-N 2.76Å
381	D	86.9	Confident	95.6	Very high	47 Å²	47	52.3 Å²	52.3	25%	0.251	25%	0.251	S	S	.	.	S	Bend	trans	-103	163.7	-172.5	-68.7	-28.3	0	0	0	113.2	A377	A377-D381 WeakPolarHBondContact O-CB 3.48Å; A377-D381 PolarHBondContact O-N 3.43Å
382	R	91.2	Very high	95.5	Very high	201 Å²	201	51 Å²	51	76%	0.758	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-80.2	121.9	175.9	-179.5	178.9	176.6	-177.1	1.3	110.5
383	L	95.5	Very high	95.3	Very high	22 Å²	22	44.6 Å²	44.6	12%	0.115	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-72.7	131.7	168.7	-56.4	-179	0	0	0	110.3	V305 C307 L354 K355 M358	V305-L383 HydrophobicContact CG1-CB 4.02Å; V305-L383 HydrophobicContact CG1-CD1 4.49Å; C307-L383 HydrophobicContact CB-CD2 3.67Å; L354-L383 HydrophobicContact CB-CD1 3.69Å; K355-L383 HydrophobicContact CG-CD1 3.94Å; M358-L383 HydrophobicContact CE-CD1 4.46Å; M358-L383 HydrophobicContact CG-CD1 4Å
384	R	95.4	Very high	95.1	Very high	82 Å²	82	43.8 Å²	43.8	31%	0.309	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	148	177.1	-66.3	-176	-177.5	-144.6	0.6	110.4	D158 I160 V305 G306	D158-R384 PolarHBondContact O-NH1 2.89Å; D158-R384 VanDerWaalsContact O-NH1 3.11Å; D158-R384 IonicContact OD1-CZ 3.9Å; D158-R384 IonicContact OD1-NH1 2.66Å; D158-R384 PolarHBondContact OD1-NH1 3.16Å; D158-R384 IonicContact OD1-NH2 2.79Å; D158-R384 PolarHBondContact OD1-NH2 2.87Å; D158-R384 IonicContact OD2-CZ 3.3Å; D158-R384 IonicContact OD2-NH1 3.18Å; D158-R384 PolarHBondContact OD2-NH1 2.9Å; D158-R384 IonicContact OD2-NH2 2.95Å; D158-R384 PolarHBondContact OD2-NH2 2.87Å; I160-R384 HydrophobicContact CD1-CB 3.87Å; I160-R384 WeakPolarHBondContact CD1-O 3.45Å; I160-R384 HydrophobicContact CG2-CB 3.69Å; I160-R384 HydrophobicContact CG2-CG 4.21Å; V305-R384 CarbonylContact C-O 3.5Å; V305-R384 VanDerWaalsContact CA-O 3.29Å; V305-R384 WeakPolarHBondContact CA-O 3Å; G306-R384 PolarHBondContact N-O 3.29Å; G306-R384 PolarHBondContact O-N 3.21Å; G306-R384 VanDerWaalsContact O-N 3.08Å
385	T	95.9	Very high	94.8	Very high	71 Å²	71	44.2 Å²	44.2	44%	0.436	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	142.8	-178.2	61.9	0	0	0	0	111.2	F304 V305 M350 L354	F304-T385 CarbonylContact O-C 3.47Å; F304-T385 VanDerWaalsContact O-CA 3.27Å; F304-T385 WeakPolarHBondContact O-CA 3.42Å; V305-T385 HydrophobicContact CG1-CG2 4.25Å; V305-T385 HydrophobicContact CG2-CG2 4.01Å; M350-T385 HydrophobicContact CE-CG2 4.17Å; L354-T385 HydrophobicContact CD1-CG2 3.77Å
386	M	95.9	Very high	94.6	Very high	37 Å²	37	42.1 Å²	42.1	18%	0.182	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	136.6	173.6	-77.8	-64.3	-64.8	0	0	110	I160 V161 F286 H303 F304	I160-M386 HydrophobicContact CD1-CB 4.16Å; I160-M386 HydrophobicContact CD1-CG 3.81Å; I160-M386 HydrophobicContact CG1-CB 4.3Å; I160-M386 HydrophobicContact CG1-CG 3.63Å; V161-M386 HydrophobicContact CG1-CB 4.02Å; V161-M386 HydrophobicContact CG1-CG 4.03Å; V161-M386 HydrophobicContact CG2-CE 4.18Å; F286-M386 HydrophobicContact CE2-CE 4.12Å; F286-M386 HydrophobicContact CZ-CE 4.42Å; H303-M386 CarbonylContact C-O 3.49Å; H303-M386 WeakPolarHBondContact CA-O 3.39Å; F304-M386 PolarHBondContact N-O 3.31Å; F304-M386 PolarHBondContact O-N 2.81Å
387	P	96.6	Very high	94.2	Very high	30 Å²	30	42 Å²	42	20%	0.195	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	133.2	177.6	29.6	-34.6	0	0	0	110.9	L285 F286 V300 S389	L285-P387 HydrophobicContact CD2-CG 4.02Å; F286-P387 HydrophobicContact CE1-CG 4.04Å; F286-P387 HydrophobicContact CZ-CG 3.85Å; V300-P387 HydrophobicContact CG1-CB 4Å; V300-P387 HydrophobicContact CG2-CB 4.4Å; P387-S389 PolarHBondContact O-N 3.37Å
388	A	96.9	Very high	94.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.008	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	95.8	168.5	0	0	0	0	0	108.9	S301 S302 H412 P413	S301-A388 PolarHBondContact N-O 3.05Å; S302-A388 WeakPolarHBondContact O-CB 3.11Å; S302-A388 PolarHBondContact O-N 3.35Å; S302-A388 WeakPolarHBondContact OG-CB 3.25Å; A388-H412 VanDerWaalsContact CB-NE2 3.33Å; A388-H412 WeakPolarHBondContact CB-NE2 3.01Å; A388-P413 HydrophobicContact CB-CG 3.97Å
389	S	95.6	Very high	94.1	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.028	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	161.2	-172.3	-59.6	0	0	0	0	112.7	T299 P387 I410 R411	T299-S389 CarbonylContact O-C 3.56Å; T299-S389 WeakPolarHBondContact O-CA 3.34Å; P387-S389 PolarHBondContact O-N 3.37Å; S389-I410 WeakPolarHBondContact O-CG2 3.34Å; S389-R411 CarbonylContact O-C 3.57Å; S389-R411 VanDerWaalsContact O-C 3.29Å
390	F	96.9	Very high	94.2	Very high	30 Å²	30	43.5 Å²	43.5	13%	0.132	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.5	170.2	179.2	-127.6	0	0	0	109.8	V298 T299 P392 I410 Q469 L562	V298-F390 WeakPolarHBondContact CA-O 3.33Å; T299-F390 PolarHBondContact N-O 3.39Å; T299-F390 PolarHBondContact O-N 2.95Å; T299-F390 PolarHBondContact OG1-O 3.31Å; F390-P392 HydrophobicContact CE1-CG 4.4Å; F390-P392 HydrophobicContact CZ-CB 4.01Å; F390-P392 HydrophobicContact CZ-CG 4.37Å; F390-I410 WeakPolarHBondContact CD2-O 3.47Å; F390-Q469 VanDerWaalsContact CB-NE2 3.29Å; F390-Q469 HydrophobicContact CD2-CG 3.76Å; F390-Q469 HydrophobicContact CE2-CG 3.83Å; F390-Q469 HydrophobicContact CG-CG 4.28Å; F390-Q469 HydrophobicContact CZ-CG 4.42Å; F390-L562 HydrophobicContact CZ-CD2 4.14Å
391	L	96.8	Very high	94.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-145.4	103.7	173.6	175.9	67.6	0	0	0	107.5	R290 I294 V298 Y408 N409 I410	R290-L391 VanDerWaalsContact NE-CD2 3.32Å; I294-L391 HydrophobicContact CD1-CD1 4.2Å; I294-L391 HydrophobicContact CD1-CD2 4.13Å; I294-L391 HydrophobicContact CD1-CG 4.49Å; V298-L391 HydrophobicContact CG2-CD1 4.34Å; L391-Y408 WeakPolarHBondContact CD2-O 3.38Å; L391-N409 WeakPolarHBondContact O-CA 3.27Å; L391-N409 PolarHBondContact O-ND2 2.68Å; L391-I410 CarbonylContact C-O 3.51Å; L391-I410 HydrophobicContact CB-CB 3.85Å; L391-I410 HydrophobicContact CB-CD1 3.99Å; L391-I410 HydrophobicContact CB-CG1 3.91Å; L391-I410 HydrophobicContact CD2-CD1 4.16Å; L391-I410 HydrophobicContact CD2-CG1 4.22Å; L391-I410 PolarHBondContact N-O 3.05Å; L391-I410 PolarHBondContact O-N 2.91Å; L391-I410 VanDerWaalsContact O-O 3.12Å
392	P	95.1	Very high	95.1	Very high	24 Å²	24	35.8 Å²	35.8	16%	0.156	17%	0.171	C	C	.	.			trans	-64.3	149.9	176.1	28.6	-34.5	0	0	0	110.3	F390	F390-P392 HydrophobicContact CE1-CG 4.4Å; F390-P392 HydrophobicContact CZ-CB 4.01Å; F390-P392 HydrophobicContact CZ-CG 4.37Å
393	P	94.2	Very high	95.4	Very high	8 Å²	8	26.4 Å²	26.4	5%	0.052	14%	0.135	C	C	.	.			trans	-66	150.7	179.9	30	-33.9	0	0	0	111	Y408 N409 R456 E566 Y569	P393-Y408 HydrophobicContact CB-CE1 3.89Å; P393-N409 HydrophobicContact CB-CB 4.19Å; P393-N409 WeakPolarHBondContact CD-ND2 3.41Å; P393-R456 VanDerWaalsContact CB-NH1 3.29Å; P393-E566 WeakPolarHBondContact CD-OE1 3.22Å; P393-Y569 WeakPolarHBondContact O-CE2 3.29Å
394	S	92.4	Very high	95.5	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.014	13%	0.13	C	C	.	.			trans	-134.3	159.8	179.7	-71.1	0	0	0	0	112.8	S296 Y408 Y569	S296-S394 WeakPolarHBondContact CB-OG 3.49Å; S296-S394 PolarHBondContact OG-OG 3.39Å; S394-Y408 WeakPolarHBondContact O-CE2 3.47Å; S394-Y408 VanDerWaalsContact O-CZ 3.26Å; S394-Y408 PolarHBondContact O-OH 2.74Å; S394-Y569 WeakPolarHBondContact CB-OH 3.43Å; S394-Y569 PolarHBondContact OG-OH 3.45Å
395	A	91.5	Very high	95.7	Very high	10 Å²	10	21.8 Å²	21.8	8%	0.083	12%	0.118	C	C	.	.			trans	-73.5	132.2	169.7	0	0	0	0	0	110.2	Y453 Y569 Y572	A395-Y453 HydrophobicContact CB-CE2 4.2Å; A395-Y569 HydrophobicContact CB-CD1 3.86Å; A395-Y569 HydrophobicContact CB-CE1 4.28Å; A395-Y569 HydrophobicContact CB-CG 4.33Å; A395-Y572 HydrophobicContact CB-CD2 4.06Å; A395-Y572 HydrophobicContact CB-CE2 3.42Å; A395-Y572 VanDerWaalsContact CB-CE2 3.42Å
396	V	93.6	Very high	95.7	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.018	11%	0.11	C	C	.	.			trans	-101.8	93	173.2	-175.6	0	0	0	0	108.2	L293 I294 L403 Y408 K449 Y453	L293-V396 HydrophobicContact CB-CG1 4.39Å; I294-V396 HydrophobicContact CG2-CG2 3.82Å; V396-L403 HydrophobicContact CG2-CB 3.94Å; V396-Y408 HydrophobicContact CG2-CD2 4.14Å; V396-Y408 HydrophobicContact CG2-CE2 3.91Å; V396-K449 PolarHBondContact O-NZ 3.17Å; V396-Y453 PolarHBondContact N-OH 3.36Å
397	N	89.9	Confident	95.8	Very high	82 Å²	82	19.1 Å²	19.1	44%	0.439	10%	0.102	S	C	.	.			trans	-81.7	-20.8	-172.9	-62.5	-23.8	0	0	0	113.4	K399 Y572	N397-K399 PolarHBondContact O-N 3.12Å; N397-Y572 PolarHBondContact ND2-OH 3Å
398	K	94.1	Very high	95.9	Very high	31 Å²	31	17.9 Å²	17.9	14%	0.135	9%	0.093	C	C	.	.			trans	-56.9	133.2	178	-166.1	79.2	170.4	-166.6	0	110.8	E253 D256 V258 L293 V401 K449	E253-K398 VanDerWaalsContact CD-CE 3.41Å; E253-K398 VanDerWaalsContact CD-NZ 3.26Å; E253-K398 IonicContact OE1-NZ 3.95Å; E253-K398 VanDerWaalsContact OE2-CE 3.31Å; E253-K398 WeakPolarHBondContact OE2-CE 3.24Å; E253-K398 IonicContact OE2-NZ 2.88Å; E253-K398 PolarHBondContact OE2-NZ 3Å; D256-K398 VanDerWaalsContact O-CD 3.31Å; D256-K398 WeakPolarHBondContact O-CD 3.18Å; D256-K398 WeakPolarHBondContact O-CE 3.39Å; D256-K398 IonicContact OD1-NZ 3.49Å; D256-K398 PolarHBondContact OD1-NZ 3.21Å; V258-K398 HydrophobicContact CG2-CG 3.9Å; L293-K398 HydrophobicContact CD2-CB 4.02Å; L293-K398 HydrophobicContact CD2-CG 4.15Å; K398-V401 HydrophobicContact CB-CG1 3.64Å; K398-V401 HydrophobicContact CG-CG1 3.69Å; K398-K449 PolarHBondContact O-NZ 3.39Å
399	K	95.9	Very high	95.9	Very high	106 Å²	106	17.9 Å²	17.9	46%	0.461	9%	0.093	S	C	.	.	B	Isolated β-bridge	trans	-78.4	159.8	179.7	-65.1	167.9	157.3	-146.3	0	111.7	C257 V258 N397 V401 D442	C257-K399 HydrophobicContact CB-CB 4.07Å; C257-K399 VanDerWaalsContact SG-CB 3.56Å; V258-K399 PolarHBondContact N-O 3.48Å; N397-K399 PolarHBondContact O-N 3.12Å; K399-V401 PolarHBondContact O-N 3.2Å; K399-D442 VanDerWaalsContact CD-OD2 3.24Å; K399-D442 WeakPolarHBondContact CD-OD2 3.27Å; K399-D442 VanDerWaalsContact CE-OD2 3.31Å; K399-D442 WeakPolarHBondContact CE-OD2 3.16Å; K399-D442 IonicContact NZ-OD2 3.3Å; K399-D442 PolarHBondContact NZ-OD2 3.09Å
400	G	96.4	Very high	96	Very high	4 Å²	4	17.9 Å²	17.9	4%	0.041	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	6.5	-179.2	0	0	0	0	0	115.8	V258 P277 T279	V258-G400 WeakPolarHBondContact O-CA 3.39Å; P277-G400 WeakPolarHBondContact O-CA 3.27Å; T279-G400 PolarHBondContact N-O 3.14Å
401	V	98.2	Very high	96	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	140.6	-177.1	65.5	0	0	0	0	114.2	V258 T279 V281 L293 K398 K399 K449	V258-V401 HydrophobicContact CB-CB 3.88Å; V258-V401 HydrophobicContact CB-CG1 4.24Å; V258-V401 HydrophobicContact CG1-CB 4.21Å; V258-V401 HydrophobicContact CG2-CB 3.8Å; V258-V401 HydrophobicContact CG2-CG1 3.72Å; V258-V401 HydrophobicContact CG2-CG2 4.49Å; T279-V401 CarbonylContact O-C 3.59Å; T279-V401 WeakPolarHBondContact O-CA 3.35Å; T279-V401 WeakPolarHBondContact O-CG2 3.43Å; V281-V401 HydrophobicContact CG2-CG2 4Å; L293-V401 HydrophobicContact CD1-CG2 3.98Å; L293-V401 HydrophobicContact CD2-CG1 3.72Å; L293-V401 HydrophobicContact CD2-CG2 4.31Å; K398-V401 HydrophobicContact CB-CG1 3.64Å; K398-V401 HydrophobicContact CG-CG1 3.69Å; K399-V401 PolarHBondContact O-N 3.2Å; V401-K449 WeakPolarHBondContact O-CE 3.44Å; V401-K449 PolarHBondContact O-NZ 3.09Å
402	L	98.4	Very high	96	Very high	4 Å²	4	17 Å²	17	2%	0.021	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	140.7	164.1	-54.7	-176.1	0	0	0	109.6	L278 T279 V280 V281 L404 W429 K449	L278-L402 HydrophobicContact CD1-CD2 4.47Å; L278-L402 HydrophobicContact CD1-CG 4.01Å; L278-L402 HydrophobicContact CD2-CD1 4.17Å; L278-L402 HydrophobicContact CD2-CG 4.48Å; T279-L402 PolarHBondContact O-N 2.86Å; V280-L402 CarbonylContact C-O 3.44Å; V280-L402 WeakPolarHBondContact CA-O 3.36Å; V280-L402 HydrophobicContact CG1-CB 4.34Å; V280-L402 HydrophobicContact CG2-CB 4.29Å; V280-L402 HydrophobicContact CG2-CD1 4.22Å; V280-L402 HydrophobicContact CG2-CG 4.49Å; V281-L402 PolarHBondContact N-O 2.66Å; L402-L404 HydrophobicContact CB-CD1 4.41Å; L402-L404 HydrophobicContact CB-CG 4.25Å; L402-L404 HydrophobicContact CD1-CD1 4.4Å; L402-W429 HydrophobicContact CD1-CD2 3.91Å; L402-W429 HydrophobicContact CD1-CE3 3.83Å; L402-W429 HydrophobicContact CD1-CH2 3.99Å; L402-W429 HydrophobicContact CD1-CZ2 4.07Å; L402-W429 HydrophobicContact CD1-CZ3 3.86Å; L402-W429 HydrophobicContact CD2-CH2 3.56Å; L402-W429 HydrophobicContact CD2-CZ2 3.84Å; L402-W429 HydrophobicContact CD2-CZ3 4.1Å; L402-W429 HydrophobicContact CG-CH2 4.45Å; L402-K449 HydrophobicContact CD2-CD 4.42Å; L402-K449 HydrophobicContact CD2-CG 4.15Å
403	L	98.4	Very high	96.1	Very high	3 Å²	3	17.9 Å²	17.9	2%	0.016	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121	167.7	-178.4	66.1	0	0	0	107	V281 R290 L293 I294 V396 A407 Y408	V281-L403 HydrophobicContact CB-CD1 3.71Å; V281-L403 HydrophobicContact CG1-CD1 3.53Å; R290-L403 HydrophobicContact CG-CD2 4.33Å; L293-L403 HydrophobicContact CB-CD2 4.14Å; L293-L403 HydrophobicContact CD1-CB 4.09Å; L293-L403 HydrophobicContact CD1-CD1 4.15Å; L293-L403 HydrophobicContact CD1-CD2 4.45Å; L293-L403 HydrophobicContact CD1-CG 4.46Å; I294-L403 HydrophobicContact CD1-CD2 4.14Å; I294-L403 HydrophobicContact CG1-CD2 4.14Å; I294-L403 HydrophobicContact CG2-CD2 4Å; V396-L403 HydrophobicContact CG2-CB 3.94Å; L403-A407 HydrophobicContact CD1-CB 3.56Å; L403-A407 HydrophobicContact CG-CB 4.38Å; L403-Y408 HydrophobicContact CB-CD2 4.37Å; L403-Y408 HydrophobicContact CD2-CD2 4.31Å; L403-Y408 HydrophobicContact CG-CD2 4.31Å; L403-Y408 VanDerWaalsContact O-CB 3.3Å; L403-Y408 WeakPolarHBondContact O-CB 3.18Å; L403-Y408 WeakPolarHBondContact O-CD2 3.48Å; L403-Y408 VanDerWaalsContact O-CG 3.27Å
404	L	98.5	Very high	96.1	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.016	10%	0.095	C	C	.	.			trans	-135.3	164.3	-174.4	-59.6	176.7	0	0	0	113.3	L132 L136 V280 V281 L402 A407 W429 F452	L132-L404 HydrophobicContact CD1-CB 3.42Å; L132-L404 VanDerWaalsContact CD1-CB 3.42Å; L132-L404 HydrophobicContact CD1-CD1 4.44Å; L132-L404 HydrophobicContact CD2-CB 3.79Å; L132-L404 HydrophobicContact CD2-CD1 4.35Å; L132-L404 HydrophobicContact CG-CB 4.29Å; L136-L404 HydrophobicContact CD2-CD1 4.43Å; V280-L404 HydrophobicContact CG1-CD1 3.88Å; V280-L404 HydrophobicContact CG1-CG 4.32Å; V281-L404 PolarHBondContact O-N 3.28Å; L402-L404 HydrophobicContact CB-CD1 4.41Å; L402-L404 HydrophobicContact CB-CG 4.25Å; L402-L404 HydrophobicContact CD1-CD1 4.4Å; L404-A407 WeakPolarHBondContact O-CB 3.38Å; L404-W429 HydrophobicContact CD1-CG 4.26Å; L404-F452 HydrophobicContact CD2-CE1 4.14Å; L404-F452 HydrophobicContact CD2-CZ 3.9Å
405	G	97.8	Very high	96.2	Very high	5 Å²	5	18.3 Å²	18.3	5%	0.052	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	71.7	-150.2	176.7	0	0	0	0	0	112.5	A407 Y408 N409	G405-A407 PolarHBondContact O-N 3.32Å; G405-A407 VanDerWaalsContact O-N 3.16Å; G405-Y408 WeakPolarHBondContact O-CA 3.07Å; G405-Y408 WeakPolarHBondContact O-CB 3.26Å; G405-Y408 PolarHBondContact O-N 2.86Å; G405-N409 PolarHBondContact O-N 2.87Å
406	D	97.5	Very high	96.3	Very high	51 Å²	51	18.9 Å²	18.9	27%	0.273	10%	0.103	S	C	.	.	G	3₁₀ helix	trans	-67.1	-15	178.8	-76.2	3.9	0	0	0	112.3	G284 L285 R290 Y408 I410 R411	G284-D406 CarbonylContact O-C 3.56Å; L285-D406 HydrophobicContact CB-CB 4.3Å; R290-D406 PolarHBondContact NH2-O 2.84Å; D406-Y408 PolarHBondContact O-N 3.17Å; D406-I410 HydrophobicContact CB-CG1 4.15Å; D406-I410 WeakPolarHBondContact O-CD1 3.5Å; D406-I410 WeakPolarHBondContact O-CG1 3.38Å; D406-R411 IonicContact OD1-NH1 3.34Å
407	A	97.5	Very high	96.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-65.1	-28.3	167.7	0	0	0	0	0	111.7	D283 G284 R290 L403 L404 G405	D283-A407 WeakPolarHBondContact OD1-CB 3.48Å; G284-A407 WeakPolarHBondContact O-CA 3.39Å; G284-A407 PolarHBondContact O-N 2.66Å; R290-A407 PolarHBondContact NE-O 3.12Å; L403-A407 HydrophobicContact CD1-CB 3.56Å; L403-A407 HydrophobicContact CG-CB 4.38Å; L404-A407 WeakPolarHBondContact O-CB 3.38Å; G405-A407 PolarHBondContact O-N 3.32Å; G405-A407 VanDerWaalsContact O-N 3.16Å
408	Y	97.5	Very high	96.7	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.016	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-47.5	-175.4	175.8	-118.7	0	0	0	114.2	L391 P393 S394 V396 L403 G405 D406 F452 Y453	L391-Y408 WeakPolarHBondContact CD2-O 3.38Å; P393-Y408 HydrophobicContact CB-CE1 3.89Å; S394-Y408 WeakPolarHBondContact O-CE2 3.47Å; S394-Y408 VanDerWaalsContact O-CZ 3.26Å; S394-Y408 PolarHBondContact O-OH 2.74Å; V396-Y408 HydrophobicContact CG2-CD2 4.14Å; V396-Y408 HydrophobicContact CG2-CE2 3.91Å; L403-Y408 HydrophobicContact CB-CD2 4.37Å; L403-Y408 HydrophobicContact CD2-CD2 4.31Å; L403-Y408 HydrophobicContact CG-CD2 4.31Å; L403-Y408 VanDerWaalsContact O-CB 3.3Å; L403-Y408 WeakPolarHBondContact O-CB 3.18Å; L403-Y408 WeakPolarHBondContact O-CD2 3.48Å; L403-Y408 VanDerWaalsContact O-CG 3.27Å; G405-Y408 WeakPolarHBondContact O-CA 3.07Å; G405-Y408 WeakPolarHBondContact O-CB 3.26Å; G405-Y408 PolarHBondContact O-N 2.86Å; D406-Y408 PolarHBondContact O-N 3.17Å; Y408-F452 HydrophobicContact CE1-CE1 4.21Å; Y408-Y453 WeakPolarHBondContact OH-CE1 3.16Å
409	N	97.6	Very high	96.9	Very high	2 Å²	2	15 Å²	15	1%	0.011	9%	0.089	C	C	.	.			trans	-149.6	118.6	-169.4	173.8	-149.1	0	0	0	110.4	L391 P393 G405 R411 R456 N465	L391-N409 WeakPolarHBondContact O-CA 3.27Å; L391-N409 PolarHBondContact O-ND2 2.68Å; P393-N409 HydrophobicContact CB-CB 4.19Å; P393-N409 WeakPolarHBondContact CD-ND2 3.41Å; G405-N409 PolarHBondContact O-N 2.87Å; N409-R411 VanDerWaalsContact CG-NH2 3.34Å; N409-R411 PolarHBondContact O-NH1 2.76Å; N409-R411 PolarHBondContact OD1-NH2 2.85Å; N409-R456 PolarHBondContact OD1-NH2 3.28Å; N409-N465 PolarHBondContact ND2-ND2 3.22Å; N409-N465 PolarHBondContact OD1-ND2 3.33Å
410	I	97.3	Very high	97	Very high	4 Å²	4	10 Å²	10	2%	0.021	7%	0.067	C	C	.	.	B	Isolated β-bridge	trans	-120.5	141.2	-175.8	-49.2	166.7	0	0	0	109	L285 S389 F390 L391 D406	L285-I410 HydrophobicContact CD1-CD1 4.11Å; L285-I410 HydrophobicContact CD1-CG2 3.95Å; L285-I410 HydrophobicContact CG-CD1 4.05Å; S389-I410 WeakPolarHBondContact O-CG2 3.34Å; F390-I410 WeakPolarHBondContact CD2-O 3.47Å; L391-I410 CarbonylContact C-O 3.51Å; L391-I410 HydrophobicContact CB-CB 3.85Å; L391-I410 HydrophobicContact CB-CD1 3.99Å; L391-I410 HydrophobicContact CB-CG1 3.91Å; L391-I410 HydrophobicContact CD2-CD1 4.16Å; L391-I410 HydrophobicContact CD2-CG1 4.22Å; L391-I410 PolarHBondContact N-O 3.05Å; L391-I410 PolarHBondContact O-N 2.91Å; L391-I410 VanDerWaalsContact O-O 3.12Å; D406-I410 HydrophobicContact CB-CG1 4.15Å; D406-I410 WeakPolarHBondContact O-CD1 3.5Å; D406-I410 WeakPolarHBondContact O-CG1 3.38Å
411	R	97.2	Very high	97.1	Very high	12 Å²	12	9.9 Å²	9.9	5%	0.045	7%	0.065	C	C	.	.			trans	-129.7	163.9	171.5	70.7	-73.6	-61.3	159.5	3.7	110.2	S389 D406 N409 V464 N465 A468	S389-R411 CarbonylContact O-C 3.57Å; S389-R411 VanDerWaalsContact O-C 3.29Å; D406-R411 IonicContact OD1-NH1 3.34Å; N409-R411 VanDerWaalsContact CG-NH2 3.34Å; N409-R411 PolarHBondContact O-NH1 2.76Å; N409-R411 PolarHBondContact OD1-NH2 2.85Å; R411-V464 HydrophobicContact CG-CG1 4.16Å; R411-N465 PolarHBondContact NE-OD1 2.7Å; R411-N465 PolarHBondContact NH2-OD1 3.42Å; R411-A468 HydrophobicContact CB-CB 3.97Å; R411-A468 HydrophobicContact CG-CB 3.88Å
412	H	97.4	Very high	97.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.068	C	C	.	.			trans	-55.1	132.6	175.3	-165	-82.5	0	0	0	110.6	S302 F304 D345 A388 L414 A468 Y472	S302-H412 PolarHBondContact OG-NE2 2.7Å; S302-H412 VanDerWaalsContact OG-NE2 3.12Å; F304-H412 AromaticContact CE1-CE1 3.81Å; F304-H412 AromaticContact CZ-CE1 3.95Å; D345-H412 IonicContact OD1-CE1 3.72Å; D345-H412 IonicContact OD1-NE2 3.75Å; A388-H412 VanDerWaalsContact CB-NE2 3.33Å; A388-H412 WeakPolarHBondContact CB-NE2 3.01Å; H412-L414 WeakPolarHBondContact ND1-CB 3.5Å; H412-L414 PolarHBondContact ND1-N 3.23Å; H412-L414 VanDerWaalsContact ND1-N 3.12Å; H412-L414 PolarHBondContact O-N 2.72Å; H412-L414 VanDerWaalsContact O-N 3.17Å; H412-A468 HydrophobicContact CB-CB 4.39Å; H412-Y472 HydrophobicContact CB-CG 4.46Å; H412-Y472 AromaticContact CD2-CD1 3.63Å; H412-Y472 AromaticContact CD2-CD2 3.61Å; H412-Y472 AromaticContact CD2-CE1 3.99Å; H412-Y472 AromaticContact CD2-CE2 3.95Å; H412-Y472 AromaticContact CD2-CG 3.43Å; H412-Y472 VanDerWaalsContact CD2-CG 3.43Å; H412-Y472 AromaticContact CE1-CD2 3.24Å; H412-Y472 WeakPolarHBondContact CE1-CD2 3.25Å; H412-Y472 AromaticContact CE1-CE2 3.71Å; H412-Y472 AromaticContact CE1-CG 3.76Å; H412-Y472 AromaticContact CG-CD2 3.95Å; H412-Y472 AromaticContact CG-CG 3.63Å; H412-Y472 AromaticContact ND1-CD2 3.72Å; H412-Y472 AromaticContact ND1-CG 3.81Å; H412-Y472 AromaticContact NE2-CD2 3.18Å; H412-Y472 WeakPolarHBondContact NE2-CD2 3.44Å; H412-Y472 AromaticContact NE2-CE2 3.29Å; H412-Y472 VanDerWaalsContact NE2-CE2 3.29Å; H412-Y472 WeakPolarHBondContact NE2-CE2 3.36Å; H412-Y472 AromaticContact NE2-CG 3.56Å; H412-Y472 AromaticContact NE2-CZ 3.77Å
413	P	96.1	Very high	97.1	Very high	41 Å²	41	10.1 Å²	10.1	27%	0.266	7%	0.067	S	C	.	.	G	3₁₀ helix	trans	-72.4	-4.7	-175.1	27.6	-34.1	0	0	0	114.6	F304 A388 T415 G416	F304-P413 HydrophobicContact CD2-CB 4.17Å; F304-P413 HydrophobicContact CD2-CG 3.65Å; F304-P413 HydrophobicContact CE2-CB 3.74Å; F304-P413 HydrophobicContact CE2-CG 3.42Å; F304-P413 VanDerWaalsContact CE2-CG 3.42Å; F304-P413 HydrophobicContact CG-CG 4.36Å; F304-P413 HydrophobicContact CZ-CB 4.47Å; F304-P413 HydrophobicContact CZ-CG 3.92Å; A388-P413 HydrophobicContact CB-CG 3.97Å; P413-T415 PolarHBondContact O-N 2.94Å; P413-T415 VanDerWaalsContact O-N 3.14Å; P413-G416 PolarHBondContact O-N 3.44Å
414	L	95.6	Very high	97.2	Very high	13 Å²	13	11.3 Å²	11.3	7%	0.068	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-48.7	-41.6	-178.2	175.8	67.7	0	0	0	113.5	L322 P329 L331 H412 L471 F475	L322-L414 HydrophobicContact CD1-CD1 4.23Å; P329-L414 HydrophobicContact CB-CD1 4.12Å; P329-L414 HydrophobicContact CG-CD1 3.82Å; L331-L414 HydrophobicContact CD1-CD1 4.28Å; L331-L414 HydrophobicContact CD2-CD1 4.12Å; L331-L414 HydrophobicContact CG-CD1 4.24Å; H412-L414 WeakPolarHBondContact ND1-CB 3.5Å; H412-L414 PolarHBondContact ND1-N 3.23Å; H412-L414 VanDerWaalsContact ND1-N 3.12Å; H412-L414 PolarHBondContact O-N 2.72Å; H412-L414 VanDerWaalsContact O-N 3.17Å; L414-L471 HydrophobicContact CD2-CB 4.16Å; L414-F475 HydrophobicContact CD2-CD2 4.04Å
415	T	94.8	Very high	97.2	Very high	7 Å²	7	11.2 Å²	11.2	4%	0.043	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-92	0.2	-176.8	57.5	0	0	0	0	113.5	Q166 P413 G417 L467 A468 L471 L507	Q166-T415 PolarHBondContact NE2-O 3.4Å; P413-T415 PolarHBondContact O-N 2.94Å; P413-T415 VanDerWaalsContact O-N 3.14Å; T415-G417 PolarHBondContact O-N 3.14Å; T415-G417 VanDerWaalsContact O-N 3.12Å; T415-L467 HydrophobicContact CG2-CG 4.47Å; T415-A468 HydrophobicContact CG2-CB 4.28Å; T415-A468 WeakPolarHBondContact OG1-CB 3.4Å; T415-L471 HydrophobicContact CG2-CD1 4.09Å; T415-L507 HydrophobicContact CG2-CD1 3.88Å
416	G	92.9	Very high	97.2	Very high	21 Å²	21	11 Å²	11	22%	0.216	7%	0.07	C	C	.	.			trans	61.8	19.2	179.1	0	0	0	0	0	115.3	P413	P413-G416 PolarHBondContact O-N 3.44Å
417	G	94.9	Very high	97.2	Very high	3 Å²	3	11.7 Å²	11.7	3%	0.031	7%	0.071	C	C	.	.			trans	-85.5	-5.7	-170.5	0	0	0	0	0	116.5	T415 M419 S420 V421	T415-G417 PolarHBondContact O-N 3.14Å; T415-G417 VanDerWaalsContact O-N 3.12Å; G417-M419 PolarHBondContact O-N 2.75Å; G417-S420 WeakPolarHBondContact O-CB 3.22Å; G417-S420 PolarHBondContact O-N 3.14Å; G417-V421 PolarHBondContact O-N 2.85Å
418	G	97	Very high	97.3	Very high	19 Å²	19	13 Å²	13	20%	0.196	8%	0.077	C	C	.	.	H	α-helix	trans	-59.2	-49.1	-172.2	0	0	0	0	0	113.8	S420 V421 V422	G418-S420 VanDerWaalsContact C-N 3.32Å; G418-S420 PolarHBondContact O-N 2.93Å; G418-V421 PolarHBondContact O-N 3.4Å; G418-V422 PolarHBondContact O-N 3.12Å; G418-V422 VanDerWaalsContact O-N 3.07Å
419	M	98.1	Very high	97.4	Very high	14 Å²	14	12.9 Å²	12.9	7%	0.069	8%	0.077	C	C	.	.	H	α-helix	trans	-65.4	-36.2	177.4	-63.2	-168.2	-66.7	0	0	112	V131 G162 L164 L165 F222 F227 G417 V421 V422 L423	V131-M419 HydrophobicContact CG1-CB 4.46Å; V131-M419 HydrophobicContact CG1-CG 4.35Å; V131-M419 HydrophobicContact CG2-CG 4.12Å; V131-M419 HydrophobicContact CG2-SD 3.91Å; G162-M419 WeakPolarHBondContact O-CE 3.25Å; L164-M419 VanDerWaalsContact O-CE 3.3Å; L164-M419 WeakPolarHBondContact O-CE 3.4Å; L165-M419 HydrophobicContact CB-CE 4.01Å; L165-M419 HydrophobicContact CD1-CB 3.82Å; L165-M419 HydrophobicContact CD1-CE 4.29Å; F222-M419 HydrophobicContact CE2-CE 4.15Å; F222-M419 HydrophobicContact CZ-CE 3.91Å; F227-M419 HydrophobicContact CD1-SD 4.2Å; F227-M419 HydrophobicContact CE1-SD 3.92Å; G417-M419 PolarHBondContact O-N 2.75Å; M419-V421 VanDerWaalsContact C-N 3.34Å; M419-V421 PolarHBondContact O-N 2.89Å; M419-V422 WeakPolarHBondContact O-CB 3.43Å; M419-V422 PolarHBondContact O-N 2.97Å; M419-L423 WeakPolarHBondContact O-CG 3.4Å; M419-L423 PolarHBondContact O-N 2.94Å
420	S	98.3	Very high	97.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.9	-39.4	176.6	-52.3	0	0	0	0	112	Q166 G169 G417 G418 N424	Q166-S420 WeakPolarHBondContact CB-OG 3.33Å; G169-S420 WeakPolarHBondContact CA-OG 3.26Å; G417-S420 WeakPolarHBondContact O-CB 3.22Å; G417-S420 PolarHBondContact O-N 3.14Å; G418-S420 VanDerWaalsContact C-N 3.32Å; G418-S420 PolarHBondContact O-N 2.93Å; S420-N424 WeakPolarHBondContact O-CB 3.36Å; S420-N424 PolarHBondContact O-N 2.61Å; S420-N424 VanDerWaalsContact O-N 3.09Å; S420-N424 PolarHBondContact O-ND2 2.86Å
421	V	98.5	Very high	97.4	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.012	11%	0.107	C	C	.	.	H	α-helix	trans	-65	-45.6	173.7	173	0	0	0	0	110.7	G417 G418 M419 L423 N424 D425 V464	G417-V421 PolarHBondContact O-N 2.85Å; G418-V421 PolarHBondContact O-N 3.4Å; M419-V421 VanDerWaalsContact C-N 3.34Å; M419-V421 PolarHBondContact O-N 2.89Å; V421-L423 PolarHBondContact O-N 3.3Å; V421-N424 PolarHBondContact O-N 2.81Å; V421-D425 WeakPolarHBondContact CG1-OD2 3.29Å; V421-D425 WeakPolarHBondContact O-CB 3.21Å; V421-D425 VanDerWaalsContact O-CG 3.29Å; V421-D425 PolarHBondContact O-N 3Å; V421-V464 HydrophobicContact CG2-CB 3.75Å; V421-V464 HydrophobicContact CG2-CG1 3.7Å; V421-V464 HydrophobicContact CG2-CG2 3.94Å
422	V	98.3	Very high	97.5	Very high	8 Å²	8	19 Å²	19	5%	0.048	11%	0.111	C	C	.	.	H	α-helix	trans	-54.5	-51.4	176.9	160.1	0	0	0	0	111.6	V131 L132 G418 M419 N424 D425 V426	V131-V422 HydrophobicContact CB-CG1 4.3Å; V131-V422 HydrophobicContact CG1-CG1 3.86Å; L132-V422 VanDerWaalsContact CA-CG1 3.47Å; L132-V422 HydrophobicContact CB-CG1 3.56Å; L132-V422 HydrophobicContact CB-CG2 4.41Å; L132-V422 HydrophobicContact CD1-CG1 3.99Å; L132-V422 HydrophobicContact CD1-CG2 4.3Å; L132-V422 HydrophobicContact CG-CG1 4.09Å; G418-V422 PolarHBondContact O-N 3.12Å; G418-V422 VanDerWaalsContact O-N 3.07Å; M419-V422 WeakPolarHBondContact O-CB 3.43Å; M419-V422 PolarHBondContact O-N 2.97Å; V422-N424 PolarHBondContact O-N 3.24Å; V422-D425 PolarHBondContact O-N 2.84Å; V422-V426 WeakPolarHBondContact O-CG2 3.45Å; V422-V426 PolarHBondContact O-N 2.93Å
423	L	98.7	Very high	97.5	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-68.6	-37	-176	-67	166.7	0	0	0	112.2	L165 G169 A172 L173 L176 M419 V421 V426 K427	L165-L423 HydrophobicContact CD1-CD1 3.84Å; L165-L423 HydrophobicContact CD2-CD1 4.45Å; G169-L423 WeakPolarHBondContact O-CD1 3.22Å; A172-L423 HydrophobicContact CB-CB 3.86Å; L173-L423 HydrophobicContact CB-CD1 4.14Å; L173-L423 HydrophobicContact CD1-CD1 4.12Å; L173-L423 HydrophobicContact CD1-CD2 3.76Å; L176-L423 HydrophobicContact CD1-CB 4.49Å; L176-L423 HydrophobicContact CD1-CD2 4.1Å; M419-L423 WeakPolarHBondContact O-CG 3.4Å; M419-L423 PolarHBondContact O-N 2.94Å; V421-L423 PolarHBondContact O-N 3.3Å; L423-V426 PolarHBondContact O-N 2.96Å; L423-K427 PolarHBondContact O-N 2.86Å
424	N	98.6	Very high	97.5	Very high	29 Å²	29	21.9 Å²	21.9	16%	0.155	12%	0.121	C	C	.	.	H	α-helix	trans	-69.4	-36	173.2	-78.3	-75.1	0	0	0	112.3	S420 V421 V422 V426 K427 I428	S420-N424 WeakPolarHBondContact O-CB 3.36Å; S420-N424 PolarHBondContact O-N 2.61Å; S420-N424 VanDerWaalsContact O-N 3.09Å; S420-N424 PolarHBondContact O-ND2 2.86Å; V421-N424 PolarHBondContact O-N 2.81Å; V422-N424 PolarHBondContact O-N 3.24Å; N424-V426 VanDerWaalsContact C-N 3.34Å; N424-K427 PolarHBondContact O-N 2.89Å; N424-I428 WeakPolarHBondContact O-CG1 3.28Å; N424-I428 PolarHBondContact O-N 3.23Å; N424-I428 VanDerWaalsContact O-N 3.15Å
425	D	98.6	Very high	97.5	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-64.6	-39.5	172.9	-76.1	-11.6	0	0	0	110.7	V421 V422 I428 W429 F452 R456 H460	V421-D425 WeakPolarHBondContact CG1-OD2 3.29Å; V421-D425 WeakPolarHBondContact O-CB 3.21Å; V421-D425 VanDerWaalsContact O-CG 3.29Å; V421-D425 PolarHBondContact O-N 3Å; V422-D425 PolarHBondContact O-N 2.84Å; D425-I428 PolarHBondContact O-N 3.29Å; D425-W429 VanDerWaalsContact O-CD1 3.28Å; D425-W429 PolarHBondContact O-N 3.48Å; D425-F452 HydrophobicContact CB-CE2 3.76Å; D425-F452 HydrophobicContact CB-CZ 4.08Å; D425-F452 WeakPolarHBondContact OD1-CE2 3.47Å; D425-R456 IonicContact OD1-NE 2.84Å; D425-R456 PolarHBondContact OD1-NE 2.94Å; D425-R456 IonicContact OD2-CZ 3.96Å; D425-R456 IonicContact OD2-NE 2.81Å; D425-R456 IonicContact OD2-NH2 3.3Å; D425-R456 PolarHBondContact OD2-NH2 3.13Å; D425-H460 IonicContact OD1-CD2 3.86Å; D425-H460 IonicContact OD1-CE1 3.82Å; D425-H460 IonicContact OD1-NE2 3.16Å; D425-H460 PolarHBondContact OD1-NE2 3.28Å
426	V	98.8	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.4	-43.5	173.3	170.1	0	0	0	0	111.4	L132 L136 V139 L176 V422 L423 N424 I428 W429 R430	L132-V426 HydrophobicContact CD1-CG2 4.46Å; L132-V426 HydrophobicContact CG-CG2 4.22Å; L136-V426 HydrophobicContact CB-CG2 4.22Å; L136-V426 HydrophobicContact CD1-CG1 4.03Å; L136-V426 HydrophobicContact CD1-CG2 4.36Å; V139-V426 HydrophobicContact CG2-CG1 3.83Å; L176-V426 HydrophobicContact CD1-CB 4.24Å; L176-V426 HydrophobicContact CD1-CG1 3.85Å; L176-V426 HydrophobicContact CD2-CG1 3.94Å; V422-V426 WeakPolarHBondContact O-CG2 3.45Å; V422-V426 PolarHBondContact O-N 2.93Å; L423-V426 PolarHBondContact O-N 2.96Å; N424-V426 VanDerWaalsContact C-N 3.34Å; V426-I428 VanDerWaalsContact C-N 3.32Å; V426-I428 PolarHBondContact O-N 3.13Å; V426-W429 PolarHBondContact O-N 3.19Å; V426-R430 VanDerWaalsContact O-CB 3.32Å; V426-R430 WeakPolarHBondContact O-CB 3.22Å; V426-R430 PolarHBondContact O-N 2.78Å
427	K	98.4	Very high	97.6	Very high	65 Å²	65	30.9 Å²	30.9	28%	0.283	17%	0.17	S	C	.	.	H	α-helix	trans	-57.2	-44.6	175.4	-75.9	179.6	65.5	-176.2	0	112.5	A172 D175 L176 L423 N424 S431	A172-K427 HydrophobicContact CB-CD 3.69Å; D175-K427 HydrophobicContact CB-CD 4.1Å; D175-K427 IonicContact OD2-NZ 2.66Å; D175-K427 PolarHBondContact OD2-NZ 3.36Å; L176-K427 HydrophobicContact CD1-CG 4.08Å; L176-K427 HydrophobicContact CD2-CB 4.4Å; L176-K427 HydrophobicContact CD2-CG 3.58Å; L176-K427 HydrophobicContact CG-CD 4.49Å; L176-K427 HydrophobicContact CG-CG 3.67Å; L423-K427 PolarHBondContact O-N 2.86Å; N424-K427 PolarHBondContact O-N 2.89Å; K427-S431 PolarHBondContact O-N 3.37Å
428	I	98.5	Very high	97.6	Very high	27 Å²	27	34 Å²	34	14%	0.138	19%	0.185	C	C	.	.	H	α-helix	trans	-65	-48.9	178.9	-64.1	166.8	0	0	0	110	N424 D425 V426 R430 S431 L432 F452 T455 R456	N424-I428 WeakPolarHBondContact O-CG1 3.28Å; N424-I428 PolarHBondContact O-N 3.23Å; N424-I428 VanDerWaalsContact O-N 3.15Å; D425-I428 PolarHBondContact O-N 3.29Å; V426-I428 VanDerWaalsContact C-N 3.32Å; V426-I428 PolarHBondContact O-N 3.13Å; I428-R430 PolarHBondContact O-N 2.97Å; I428-S431 PolarHBondContact O-N 3.19Å; I428-L432 HydrophobicContact CG2-CD1 3.69Å; I428-L432 HydrophobicContact CG2-CG 4.24Å; I428-L432 VanDerWaalsContact O-CG 3.32Å; I428-L432 WeakPolarHBondContact O-CG 3.44Å; I428-L432 PolarHBondContact O-N 3.26Å; I428-F452 HydrophobicContact CB-CD2 4.17Å; I428-F452 HydrophobicContact CG2-CB 4.35Å; I428-F452 HydrophobicContact CG2-CD2 3.79Å; I428-T455 HydrophobicContact CD1-CG2 3.65Å; I428-T455 HydrophobicContact CG1-CG2 4.05Å; I428-R456 HydrophobicContact CD1-CB 4.35Å
429	W	98.6	Very high	97.5	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.011	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-38.5	-179.2	-82.8	111.7	0	0	0	113.4	L402 L404 D425 V426 S431 L432 L433 A448 K449 F452	L402-W429 HydrophobicContact CD1-CD2 3.91Å; L402-W429 HydrophobicContact CD1-CE3 3.83Å; L402-W429 HydrophobicContact CD1-CH2 3.99Å; L402-W429 HydrophobicContact CD1-CZ2 4.07Å; L402-W429 HydrophobicContact CD1-CZ3 3.86Å; L402-W429 HydrophobicContact CD2-CH2 3.56Å; L402-W429 HydrophobicContact CD2-CZ2 3.84Å; L402-W429 HydrophobicContact CD2-CZ3 4.1Å; L402-W429 HydrophobicContact CG-CH2 4.45Å; L404-W429 HydrophobicContact CD1-CG 4.26Å; D425-W429 VanDerWaalsContact O-CD1 3.28Å; D425-W429 PolarHBondContact O-N 3.48Å; V426-W429 PolarHBondContact O-N 3.19Å; W429-S431 PolarHBondContact O-N 2.85Å; W429-L432 HydrophobicContact CE3-CB 4.36Å; W429-L432 HydrophobicContact CE3-CD1 4.18Å; W429-L432 HydrophobicContact CZ3-CD1 4.31Å; W429-L432 PolarHBondContact O-N 2.83Å; W429-L433 HydrophobicContact CE3-CD2 4.45Å; W429-L433 HydrophobicContact CE3-CG 4.25Å; W429-L433 WeakPolarHBondContact O-CB 2.97Å; W429-L433 VanDerWaalsContact O-CG 3.29Å; W429-L433 WeakPolarHBondContact O-CG 3.12Å; W429-L433 PolarHBondContact O-N 2.78Å; W429-A448 HydrophobicContact CH2-CB 4.49Å; W429-A448 HydrophobicContact CZ3-CB 3.99Å; W429-K449 HydrophobicContact CH2-CB 4.38Å; W429-K449 HydrophobicContact CH2-CG 3.71Å; W429-K449 HydrophobicContact CZ2-CG 4.29Å; W429-F452 AromaticContact CD1-CD2 3.69Å; W429-F452 AromaticContact CD1-CE2 3.55Å; W429-F452 HydrophobicContact CD2-CD2 4.47Å; W429-F452 AromaticContact CE2-CD1 3.96Å; W429-F452 AromaticContact CE2-CD2 3.76Å; W429-F452 AromaticContact CE2-CG 3.64Å; W429-F452 HydrophobicContact CG-CD2 4.43Å; W429-F452 HydrophobicContact CH2-CB 4.33Å; W429-F452 HydrophobicContact CZ2-CB 3.79Å; W429-F452 AromaticContact CZ2-CD1 3.74Å; W429-F452 HydrophobicContact CZ2-CD1 3.74Å; W429-F452 HydrophobicContact CZ2-CD2 4.27Å; W429-F452 HydrophobicContact CZ2-CE1 4.38Å; W429-F452 AromaticContact CZ2-CG 3.67Å; W429-F452 HydrophobicContact CZ2-CG 3.67Å; W429-F452 AromaticContact NE1-CD1 3.71Å; W429-F452 AromaticContact NE1-CD2 3.19Å; W429-F452 AromaticContact NE1-CE1 3.68Å; W429-F452 AromaticContact NE1-CE2 3.17Å; W429-F452 AromaticContact NE1-CG 3.47Å; W429-F452 AromaticContact NE1-CZ 3.42Å
430	R	98.4	Very high	97.2	Very high	56 Å²	56	36 Å²	36	21%	0.211	19%	0.187	C	C	.	.	H	α-helix	trans	-54.3	-53.3	172.5	-173.8	-171.4	-178.1	-177.7	-1	110.8	V139 D143 V426 I428 L432 L433 Q434	V139-R430 HydrophobicContact CB-CG 4.43Å; V139-R430 HydrophobicContact CG2-CB 4.32Å; V139-R430 HydrophobicContact CG2-CG 4.19Å; D143-R430 IonicContact OD1-CZ 2.95Å; D143-R430 IonicContact OD1-NE 3.93Å; D143-R430 PolarHBondContact OD1-NE 3.37Å; D143-R430 IonicContact OD1-NH2 3.85Å; D143-R430 PolarHBondContact OD1-NH2 2.79Å; D143-R430 WeakPolarHBondContact OD2-CG 3.19Å; D143-R430 IonicContact OD2-CZ 3.75Å; D143-R430 IonicContact OD2-NE 2.56Å; D143-R430 PolarHBondContact OD2-NE 3.36Å; D143-R430 IonicContact OD2-NH2 3.36Å; V426-R430 VanDerWaalsContact O-CB 3.32Å; V426-R430 WeakPolarHBondContact O-CB 3.22Å; V426-R430 PolarHBondContact O-N 2.78Å; I428-R430 PolarHBondContact O-N 2.97Å; R430-L432 VanDerWaalsContact C-N 3.34Å; R430-L432 PolarHBondContact O-N 3.49Å; R430-L433 PolarHBondContact O-N 3.27Å; R430-Q434 VanDerWaalsContact O-CG 3.3Å; R430-Q434 WeakPolarHBondContact O-CG 3.46Å; R430-Q434 PolarHBondContact O-N 2.88Å; R430-Q434 VanDerWaalsContact O-N 3.1Å
431	S	98.2	Very high	96.9	Very high	63 Å²	63	40.5 Å²	40.5	44%	0.441	21%	0.208	S	C	.	.	H	α-helix	trans	-63.1	-37.4	179.8	177.5	0	0	0	0	113	K427 I428 W429 N435	K427-S431 PolarHBondContact O-N 3.37Å; I428-S431 PolarHBondContact O-N 3.19Å; W429-S431 PolarHBondContact O-N 2.85Å; S431-N435 PolarHBondContact O-ND2 3.18Å
432	L	98.3	Very high	96.5	Very high	26 Å²	26	42.7 Å²	42.7	14%	0.136	22%	0.22	C	C	.	.	H	α-helix	trans	-68.8	-45.7	177.9	-69.2	171	0	0	0	112	I428 W429 R430 Q434 N435 A448 T451 F452	I428-L432 HydrophobicContact CG2-CD1 3.69Å; I428-L432 HydrophobicContact CG2-CG 4.24Å; I428-L432 VanDerWaalsContact O-CG 3.32Å; I428-L432 WeakPolarHBondContact O-CG 3.44Å; I428-L432 PolarHBondContact O-N 3.26Å; W429-L432 HydrophobicContact CE3-CB 4.36Å; W429-L432 HydrophobicContact CE3-CD1 4.18Å; W429-L432 HydrophobicContact CZ3-CD1 4.31Å; W429-L432 PolarHBondContact O-N 2.83Å; R430-L432 VanDerWaalsContact C-N 3.34Å; R430-L432 PolarHBondContact O-N 3.49Å; L432-Q434 VanDerWaalsContact C-N 3.32Å; L432-Q434 PolarHBondContact O-N 3.44Å; L432-N435 PolarHBondContact O-N 2.94Å; L432-N435 VanDerWaalsContact O-N 3.16Å; L432-A448 HydrophobicContact CB-CB 4.1Å; L432-A448 HydrophobicContact CD1-CB 4.17Å; L432-A448 WeakPolarHBondContact CD1-O 3.16Å; L432-A448 HydrophobicContact CD2-CB 4.36Å; L432-A448 HydrophobicContact CG-CB 4.45Å; L432-T451 HydrophobicContact CD2-CG2 3.79Å; L432-F452 HydrophobicContact CD1-CB 3.9Å
433	L	98	Very high	96.2	Very high	2 Å²	2	46 Å²	46	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-73.6	-21	-176.8	-65.8	175.4	0	0	0	113.5	L140 R145 L278 W429 R430 N435 I436 L439 I445	L140-L433 HydrophobicContact CD1-CD1 3.93Å; L140-L433 HydrophobicContact CD2-CB 4.42Å; L140-L433 HydrophobicContact CD2-CD1 3.99Å; R145-L433 PolarHBondContact NH2-O 3.09Å; L278-L433 HydrophobicContact CD2-CD1 4.41Å; L278-L433 HydrophobicContact CD2-CD2 4.09Å; W429-L433 HydrophobicContact CE3-CD2 4.45Å; W429-L433 HydrophobicContact CE3-CG 4.25Å; W429-L433 WeakPolarHBondContact O-CB 2.97Å; W429-L433 VanDerWaalsContact O-CG 3.29Å; W429-L433 WeakPolarHBondContact O-CG 3.12Å; W429-L433 PolarHBondContact O-N 2.78Å; R430-L433 PolarHBondContact O-N 3.27Å; L433-N435 PolarHBondContact O-N 3.02Å; L433-I436 PolarHBondContact O-N 3.46Å; L433-L439 HydrophobicContact CD2-CD2 3.92Å; L433-I445 HydrophobicContact CD2-CD1 3.96Å
434	Q	96.1	Very high	96	Very high	100 Å²	100	49.9 Å²	49.9	47%	0.467	26%	0.262	S	S	.	.	H	α-helix	trans	-62.7	-27.6	169.3	-78.6	174.1	-15.2	0	0	112.5	D143 R430 L432	D143-Q434 VanDerWaalsContact CG-NE2 3.29Å; D143-Q434 PolarHBondContact OD1-NE2 2.92Å; D143-Q434 PolarHBondContact OD2-NE2 3.43Å; R430-Q434 VanDerWaalsContact O-CG 3.3Å; R430-Q434 WeakPolarHBondContact O-CG 3.46Å; R430-Q434 PolarHBondContact O-N 2.88Å; R430-Q434 VanDerWaalsContact O-N 3.1Å; L432-Q434 VanDerWaalsContact C-N 3.32Å; L432-Q434 PolarHBondContact O-N 3.44Å
435	N	94.8	Very high	95.9	Very high	119 Å²	119	48.8 Å²	48.8	64%	0.636	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	2.2	-177.7	-65.6	-59.2	0	0	0	113.8	S431 L432 L433	S431-N435 PolarHBondContact O-ND2 3.18Å; L432-N435 PolarHBondContact O-N 2.94Å; L432-N435 VanDerWaalsContact O-N 3.16Å; L433-N435 PolarHBondContact O-N 3.02Å
436	I	96.6	Very high	95.6	Very high	9 Å²	9	52.3 Å²	52.3	5%	0.046	27%	0.274	C	S	.	.			trans	-122.4	83.6	-176.6	-58.2	176.6	0	0	0	108	R145 L433 D438 L439 E444 I445 A448	R145-I436 PolarHBondContact NH2-O 3.21Å; L433-I436 PolarHBondContact O-N 3.46Å; I436-D438 VanDerWaalsContact C-N 3.32Å; I436-D438 WeakPolarHBondContact CG2-O 3.47Å; I436-D438 PolarHBondContact O-N 3.29Å; I436-L439 HydrophobicContact CG2-CD2 4.13Å; I436-E444 HydrophobicContact CD1-CB 3.99Å; I436-E444 HydrophobicContact CG1-CB 4.06Å; I436-E444 HydrophobicContact CG2-CB 3.98Å; I436-E444 WeakPolarHBondContact CG2-OE2 3.17Å; I436-I445 HydrophobicContact CD1-CD1 3.96Å; I436-I445 HydrophobicContact CG2-CD1 4.15Å; I436-A448 HydrophobicContact CD1-CB 3.78Å
437	P	93.8	Very high	95.4	Very high	102 Å²	102	57.1 Å²	57.1	66%	0.662	30%	0.297	S	S	*	.	S	Bend	trans	-58.5	-43.2	-173.8	-24.8	34.8	0	0	0	112.7	R145	R145-P437 PolarHBondContact NH1-O 3.01Å
438	D	94.6	Very high	95.3	Very high	68 Å²	68	54.3 Å²	54.3	36%	0.364	29%	0.285	S	S	.	.			trans	-103.4	115.2	178.4	-170.3	-9.1	0	0	0	111.1	I436 Y440 E441	I436-D438 VanDerWaalsContact C-N 3.32Å; I436-D438 WeakPolarHBondContact CG2-O 3.47Å; I436-D438 PolarHBondContact O-N 3.29Å; D438-Y440 VanDerWaalsContact C-N 3.27Å; D438-Y440 PolarHBondContact O-N 3.44Å; D438-Y440 WeakPolarHBondContact OD1-CB 3.42Å; D438-Y440 VanDerWaalsContact OD1-CD2 3.26Å; D438-Y440 WeakPolarHBondContact OD1-CD2 3.37Å; D438-Y440 PolarHBondContact OD1-N 3.07Å; D438-E441 HydrophobicContact CB-CG 4.29Å; D438-E441 PolarHBondContact O-N 2.82Å
439	L	95.3	Very high	95.2	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.026	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-7.2	-179.2	-58.8	-179.7	0	0	0	113.5	E123 I124 P277 L278 L433 I436 I445	E123-L439 HydrophobicContact CB-CD1 4.32Å; I124-L439 HydrophobicContact CD1-CD1 3.79Å; I124-L439 HydrophobicContact CG1-CD1 3.51Å; P277-L439 HydrophobicContact CB-CB 3.93Å; P277-L439 HydrophobicContact CG-CB 3.89Å; L278-L439 HydrophobicContact CB-CB 4.5Å; L278-L439 HydrophobicContact CB-CD1 4.17Å; L278-L439 HydrophobicContact CD2-CD1 4.37Å; L433-L439 HydrophobicContact CD2-CD2 3.92Å; I436-L439 HydrophobicContact CG2-CD2 4.13Å; L439-I445 HydrophobicContact CD2-CD1 3.97Å
440	Y	92.4	Very high	95	Very high	72 Å²	72	57.5 Å²	57.5	28%	0.282	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-14.6	170	-70.1	-85.3	0	0	0	112.4	P118 Y120 P277 D438 D442	P118-Y440 PolarHBondContact O-OH 3.36Å; Y120-Y440 HydrophobicContact CD2-CE1 4.44Å; Y120-Y440 WeakPolarHBondContact CD2-OH 3.41Å; Y120-Y440 PolarHBondContact N-OH 2.84Å; P277-Y440 HydrophobicContact CB-CD1 3.84Å; P277-Y440 HydrophobicContact CB-CD2 3.82Å; P277-Y440 HydrophobicContact CB-CE1 3.82Å; P277-Y440 HydrophobicContact CB-CE2 3.77Å; P277-Y440 HydrophobicContact CB-CG 3.84Å; P277-Y440 HydrophobicContact CG-CD2 4.15Å; P277-Y440 HydrophobicContact CG-CE2 3.77Å; D438-Y440 VanDerWaalsContact C-N 3.27Å; D438-Y440 PolarHBondContact O-N 3.44Å; D438-Y440 WeakPolarHBondContact OD1-CB 3.42Å; D438-Y440 VanDerWaalsContact OD1-CD2 3.26Å; D438-Y440 WeakPolarHBondContact OD1-CD2 3.37Å; D438-Y440 PolarHBondContact OD1-N 3.07Å; Y440-D442 VanDerWaalsContact C-N 3.32Å; Y440-D442 PolarHBondContact O-N 2.98Å
441	E	91.6	Very high	94.9	Very high	94 Å²	94	57.4 Å²	57.4	44%	0.439	30%	0.302	S	S	.	.			trans	-74.7	81.5	176.8	-70	-63.2	158.6	0	0	111.8	D438 S443 E444 I445	D438-E441 HydrophobicContact CB-CG 4.29Å; D438-E441 PolarHBondContact O-N 2.82Å; E441-S443 PolarHBondContact O-N 2.99Å; E441-E444 HydrophobicContact CB-CB 4.34Å; E441-E444 HydrophobicContact CB-CG 4.18Å; E441-E444 PolarHBondContact O-N 3.07Å; E441-E444 VanDerWaalsContact O-N 3.07Å; E441-I445 PolarHBondContact O-N 3Å
442	D	89.2	Confident	94.8	Very high	47 Å²	47	54.5 Å²	54.5	25%	0.251	28%	0.281	S	S	.	.	H	α-helix	trans	-48	-36.9	179.1	-87.4	-24.7	0	0	0	113.6	K399 Y440 I445 L446	K399-D442 VanDerWaalsContact CD-OD2 3.24Å; K399-D442 WeakPolarHBondContact CD-OD2 3.27Å; K399-D442 VanDerWaalsContact CE-OD2 3.31Å; K399-D442 WeakPolarHBondContact CE-OD2 3.16Å; K399-D442 IonicContact NZ-OD2 3.3Å; K399-D442 PolarHBondContact NZ-OD2 3.09Å; Y440-D442 VanDerWaalsContact C-N 3.32Å; Y440-D442 PolarHBondContact O-N 2.98Å; D442-I445 PolarHBondContact O-N 3.49Å; D442-L446 VanDerWaalsContact O-CB 3.31Å; D442-L446 WeakPolarHBondContact O-CB 3.2Å; D442-L446 PolarHBondContact O-N 2.96Å
443	S	92.3	Very high	94.7	Very high	79 Å²	79	55 Å²	55	55%	0.552	28%	0.281	S	S	*	.	H	α-helix	trans	-67.7	-39.7	-176.1	73.4	0	0	0	0	112	E441 L446 Q447	E441-S443 PolarHBondContact O-N 2.99Å; S443-L446 PolarHBondContact O-N 3.31Å; S443-Q447 PolarHBondContact O-N 3.24Å
444	E	94.8	Very high	94.6	Very high	81 Å²	81	60.1 Å²	60.1	38%	0.379	30%	0.301	S	S	.	.	H	α-helix	trans	-70.6	-42.2	176.4	-63.7	-163.6	-179	0	0	111	I436 E441 L446 Q447 A448	I436-E444 HydrophobicContact CD1-CB 3.99Å; I436-E444 HydrophobicContact CG1-CB 4.06Å; I436-E444 HydrophobicContact CG2-CB 3.98Å; I436-E444 WeakPolarHBondContact CG2-OE2 3.17Å; E441-E444 HydrophobicContact CB-CB 4.34Å; E441-E444 HydrophobicContact CB-CG 4.18Å; E441-E444 PolarHBondContact O-N 3.07Å; E441-E444 VanDerWaalsContact O-N 3.07Å; E444-L446 VanDerWaalsContact C-N 3.32Å; E444-L446 PolarHBondContact O-N 2.77Å; E444-Q447 PolarHBondContact O-N 3.35Å; E444-A448 WeakPolarHBondContact O-CB 3.43Å; E444-A448 PolarHBondContact O-N 2.85Å
445	I	96	Very high	94.6	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-61.9	-41.3	175.2	-63.4	-65.9	0	0	0	111	L278 L433 I436 L439 E441 D442 A448 K449	L278-I445 HydrophobicContact CD1-CG2 4.48Å; L433-I445 HydrophobicContact CD2-CD1 3.96Å; I436-I445 HydrophobicContact CD1-CD1 3.96Å; I436-I445 HydrophobicContact CG2-CD1 4.15Å; L439-I445 HydrophobicContact CD2-CD1 3.97Å; E441-I445 PolarHBondContact O-N 3Å; D442-I445 PolarHBondContact O-N 3.49Å; I445-A448 PolarHBondContact O-N 2.71Å; I445-K449 WeakPolarHBondContact O-CG 3.41Å; I445-K449 PolarHBondContact O-N 3.43Å
446	L	93.4	Very high	94.7	Very high	76 Å²	76	52.7 Å²	52.7	40%	0.398	27%	0.266	S	S	.	.	H	α-helix	trans	-64.4	-40.4	176.2	-175.2	63.8	0	0	0	111.8	D442 S443 E444 K449 R450	D442-L446 VanDerWaalsContact O-CB 3.31Å; D442-L446 WeakPolarHBondContact O-CB 3.2Å; D442-L446 PolarHBondContact O-N 2.96Å; S443-L446 PolarHBondContact O-N 3.31Å; E444-L446 VanDerWaalsContact C-N 3.32Å; E444-L446 PolarHBondContact O-N 2.77Å; L446-K449 WeakPolarHBondContact O-CB 3.4Å; L446-K449 PolarHBondContact O-N 3.1Å; L446-R450 PolarHBondContact O-N 3.23Å; L446-R450 VanDerWaalsContact O-N 3.12Å
447	Q	94.6	Very high	94.5	Very high	101 Å²	101	53.6 Å²	53.6	47%	0.472	27%	0.27	S	S	.	.	H	α-helix	trans	-65.5	-40.8	174.5	-174	61.9	13.5	0	0	111.6	S443 E444 K449 R450 T451	S443-Q447 PolarHBondContact O-N 3.24Å; E444-Q447 PolarHBondContact O-N 3.35Å; Q447-K449 PolarHBondContact O-N 2.66Å; Q447-R450 WeakPolarHBondContact O-CB 3.46Å; Q447-R450 PolarHBondContact O-N 3.13Å; Q447-T451 PolarHBondContact O-N 3.34Å; Q447-T451 PolarHBondContact O-OG1 3.07Å
448	A	96.7	Very high	94.6	Very high	5 Å²	5	55.2 Å²	55.2	4%	0.041	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-42.7	172.6	0	0	0	0	0	112	W429 L432 I436 E444 I445 R450 T451 F452	W429-A448 HydrophobicContact CH2-CB 4.49Å; W429-A448 HydrophobicContact CZ3-CB 3.99Å; L432-A448 HydrophobicContact CB-CB 4.1Å; L432-A448 HydrophobicContact CD1-CB 4.17Å; L432-A448 WeakPolarHBondContact CD1-O 3.16Å; L432-A448 HydrophobicContact CD2-CB 4.36Å; L432-A448 HydrophobicContact CG-CB 4.45Å; I436-A448 HydrophobicContact CD1-CB 3.78Å; E444-A448 WeakPolarHBondContact O-CB 3.43Å; E444-A448 PolarHBondContact O-N 2.85Å; I445-A448 PolarHBondContact O-N 2.71Å; A448-R450 VanDerWaalsContact C-N 3.33Å; A448-R450 PolarHBondContact O-N 2.65Å; A448-T451 PolarHBondContact O-N 3.47Å; A448-F452 WeakPolarHBondContact O-CB 3.44Å; A448-F452 PolarHBondContact O-N 3.44Å
449	K	95.8	Very high	94.6	Very high	5 Å²	5	53.4 Å²	53.4	2%	0.022	26%	0.259	C	S	.	.	H	α-helix	trans	-55.9	-46	173.1	-74.2	176	175.4	-172.9	0	111.6	V396 K398 V401 L402 W429 I445 L446 Q447 F452 Y453	V396-K449 PolarHBondContact O-NZ 3.17Å; K398-K449 PolarHBondContact O-NZ 3.39Å; V401-K449 WeakPolarHBondContact O-CE 3.44Å; V401-K449 PolarHBondContact O-NZ 3.09Å; L402-K449 HydrophobicContact CD2-CD 4.42Å; L402-K449 HydrophobicContact CD2-CG 4.15Å; W429-K449 HydrophobicContact CH2-CB 4.38Å; W429-K449 HydrophobicContact CH2-CG 3.71Å; W429-K449 HydrophobicContact CZ2-CG 4.29Å; I445-K449 WeakPolarHBondContact O-CG 3.41Å; I445-K449 PolarHBondContact O-N 3.43Å; L446-K449 WeakPolarHBondContact O-CB 3.4Å; L446-K449 PolarHBondContact O-N 3.1Å; Q447-K449 PolarHBondContact O-N 2.66Å; K449-F452 WeakPolarHBondContact O-CB 3.42Å; K449-F452 PolarHBondContact O-N 2.84Å; K449-Y453 HydrophobicContact CB-CE2 3.94Å; K449-Y453 WeakPolarHBondContact O-CD2 3.49Å; K449-Y453 WeakPolarHBondContact O-CE2 3.41Å; K449-Y453 PolarHBondContact O-N 3.19Å
450	R	94.3	Very high	94.7	Very high	92 Å²	92	53.4 Å²	53.4	35%	0.347	26%	0.259	S	S	.	.	H	α-helix	trans	-60.1	-46.3	176.6	-72.3	173.8	167.5	161.5	-4.7	111.9	L446 Q447 A448 Y453 W454 Y572	L446-R450 PolarHBondContact O-N 3.23Å; L446-R450 VanDerWaalsContact O-N 3.12Å; Q447-R450 WeakPolarHBondContact O-CB 3.46Å; Q447-R450 PolarHBondContact O-N 3.13Å; A448-R450 VanDerWaalsContact C-N 3.33Å; A448-R450 PolarHBondContact O-N 2.65Å; R450-Y453 PolarHBondContact O-N 2.97Å; R450-W454 PolarHBondContact O-N 3.1Å; R450-Y572 PolarHBondContact NH2-OXT 2.8Å
451	T	96.2	Very high	95	Very high	55 Å²	55	50 Å²	50	34%	0.337	25%	0.245	S	C	.	.	H	α-helix	trans	-62.5	-42.3	176.7	-58.5	0	0	0	0	111.6	L432 Q447 A448 W454 T455	L432-T451 HydrophobicContact CD2-CG2 3.79Å; Q447-T451 PolarHBondContact O-N 3.34Å; Q447-T451 PolarHBondContact O-OG1 3.07Å; A448-T451 PolarHBondContact O-N 3.47Å; T451-W454 PolarHBondContact O-N 3.44Å; T451-T455 WeakPolarHBondContact O-CB 3.44Å; T451-T455 PolarHBondContact O-N 2.93Å; T451-T455 PolarHBondContact O-OG1 3.12Å
452	F	97.2	Very high	95.2	Very high	2 Å²	2	46 Å²	46	1%	0.009	23%	0.227	C	C	.	.	H	α-helix	trans	-57.6	-52.1	175	169.2	-107.1	0	0	0	111.4	L404 Y408 D425 I428 W429 L432 A448 K449 W454 T455 R456	L404-F452 HydrophobicContact CD2-CE1 4.14Å; L404-F452 HydrophobicContact CD2-CZ 3.9Å; Y408-F452 HydrophobicContact CE1-CE1 4.21Å; D425-F452 HydrophobicContact CB-CE2 3.76Å; D425-F452 HydrophobicContact CB-CZ 4.08Å; D425-F452 WeakPolarHBondContact OD1-CE2 3.47Å; I428-F452 HydrophobicContact CB-CD2 4.17Å; I428-F452 HydrophobicContact CG2-CB 4.35Å; I428-F452 HydrophobicContact CG2-CD2 3.79Å; W429-F452 AromaticContact CD1-CD2 3.69Å; W429-F452 AromaticContact CD1-CE2 3.55Å; W429-F452 HydrophobicContact CD2-CD2 4.47Å; W429-F452 AromaticContact CE2-CD1 3.96Å; W429-F452 AromaticContact CE2-CD2 3.76Å; W429-F452 AromaticContact CE2-CG 3.64Å; W429-F452 HydrophobicContact CG-CD2 4.43Å; W429-F452 HydrophobicContact CH2-CB 4.33Å; W429-F452 HydrophobicContact CZ2-CB 3.79Å; W429-F452 AromaticContact CZ2-CD1 3.74Å; W429-F452 HydrophobicContact CZ2-CD1 3.74Å; W429-F452 HydrophobicContact CZ2-CD2 4.27Å; W429-F452 HydrophobicContact CZ2-CE1 4.38Å; W429-F452 AromaticContact CZ2-CG 3.67Å; W429-F452 HydrophobicContact CZ2-CG 3.67Å; W429-F452 AromaticContact NE1-CD1 3.71Å; W429-F452 AromaticContact NE1-CD2 3.19Å; W429-F452 AromaticContact NE1-CE1 3.68Å; W429-F452 AromaticContact NE1-CE2 3.17Å; W429-F452 AromaticContact NE1-CG 3.47Å; W429-F452 AromaticContact NE1-CZ 3.42Å; L432-F452 HydrophobicContact CD1-CB 3.9Å; A448-F452 WeakPolarHBondContact O-CB 3.44Å; A448-F452 PolarHBondContact O-N 3.44Å; K449-F452 WeakPolarHBondContact O-CB 3.42Å; K449-F452 PolarHBondContact O-N 2.84Å; F452-W454 VanDerWaalsContact C-N 3.33Å; F452-W454 PolarHBondContact O-N 3.49Å; F452-T455 PolarHBondContact O-N 3.22Å; F452-R456 VanDerWaalsContact O-CG 3.25Å; F452-R456 WeakPolarHBondContact O-CG 3.19Å; F452-R456 PolarHBondContact O-N 3.13Å
453	Y	95.4	Very high	95.7	Very high	35 Å²	35	43.8 Å²	43.8	14%	0.137	22%	0.215	C	C	.	.	H	α-helix	trans	-59.4	-42.6	179.1	-57.3	-37.8	0	0	0	112.1	A395 V396 Y408 K449 R450 K457	A395-Y453 HydrophobicContact CB-CE2 4.2Å; V396-Y453 PolarHBondContact N-OH 3.36Å; Y408-Y453 WeakPolarHBondContact OH-CE1 3.16Å; K449-Y453 HydrophobicContact CB-CE2 3.94Å; K449-Y453 WeakPolarHBondContact O-CD2 3.49Å; K449-Y453 WeakPolarHBondContact O-CE2 3.41Å; K449-Y453 PolarHBondContact O-N 3.19Å; R450-Y453 PolarHBondContact O-N 2.97Å; Y453-K457 VanDerWaalsContact O-CB 3.29Å; Y453-K457 WeakPolarHBondContact O-CB 3.34Å; Y453-K457 WeakPolarHBondContact O-CD 3.29Å; Y453-K457 WeakPolarHBondContact O-CG 3.2Å; Y453-K457 PolarHBondContact O-N 3.21Å
454	W	95.3	Very high	95.9	Very high	111 Å²	111	40.2 Å²	40.2	42%	0.42	19%	0.19	S	C	.	.	H	α-helix	trans	-67.4	-40.6	178.4	-93.3	103.5	0	0	0	113.5	R450 T451 F452 K457 K458 L570	R450-W454 PolarHBondContact O-N 3.1Å; T451-W454 PolarHBondContact O-N 3.44Å; F452-W454 VanDerWaalsContact C-N 3.33Å; F452-W454 PolarHBondContact O-N 3.49Å; W454-K457 HydrophobicContact CE3-CD 4.38Å; W454-K457 VanDerWaalsContact CE3-NZ 3.34Å; W454-K457 VanDerWaalsContact CZ2-NZ 3.25Å; W454-K458 HydrophobicContact CE3-CD 3.99Å; W454-K458 HydrophobicContact CE3-CG 4.32Å; W454-K458 HydrophobicContact CZ3-CD 4.43Å; W454-K458 VanDerWaalsContact CZ3-CE 3.41Å; W454-K458 WeakPolarHBondContact O-CG 3.49Å; W454-K458 PolarHBondContact O-N 3.23Å; W454-L570 HydrophobicContact CH2-CD2 3.44Å; W454-L570 VanDerWaalsContact CH2-CD2 3.44Å; W454-L570 HydrophobicContact CZ2-CD2 3.69Å; W454-L570 HydrophobicContact CZ3-CD2 4.26Å
455	T	96.3	Very high	96	Very high	59 Å²	59	36.5 Å²	36.5	36%	0.362	17%	0.172	S	C	.	.	H	α-helix	trans	-68.2	-49.2	-177.2	-56.9	0	0	0	0	110.7	I428 T451 F452 K458 S459	I428-T455 HydrophobicContact CD1-CG2 3.65Å; I428-T455 HydrophobicContact CG1-CG2 4.05Å; T451-T455 WeakPolarHBondContact O-CB 3.44Å; T451-T455 PolarHBondContact O-N 2.93Å; T451-T455 PolarHBondContact O-OG1 3.12Å; F452-T455 PolarHBondContact O-N 3.22Å; T455-K458 PolarHBondContact O-N 3.27Å; T455-S459 PolarHBondContact O-OG 2.94Å
456	R	96.3	Very high	96.1	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.015	17%	0.171	C	C	.	.	H	α-helix	trans	-68.4	-37.9	-178.6	72.9	-167.7	-65	-74.6	-3.7	113.3	P393 N409 D425 I428 F452 K458 S459 S461	P393-R456 VanDerWaalsContact CB-NH1 3.29Å; N409-R456 PolarHBondContact OD1-NH2 3.28Å; D425-R456 IonicContact OD1-NE 2.84Å; D425-R456 PolarHBondContact OD1-NE 2.94Å; D425-R456 IonicContact OD2-CZ 3.96Å; D425-R456 IonicContact OD2-NE 2.81Å; D425-R456 IonicContact OD2-NH2 3.3Å; D425-R456 PolarHBondContact OD2-NH2 3.13Å; I428-R456 HydrophobicContact CD1-CB 4.35Å; F452-R456 VanDerWaalsContact O-CG 3.25Å; F452-R456 WeakPolarHBondContact O-CG 3.19Å; F452-R456 PolarHBondContact O-N 3.13Å; R456-K458 VanDerWaalsContact C-N 3.3Å; R456-K458 PolarHBondContact O-N 3.38Å; R456-S459 CarbonylContact O-C 3.59Å; R456-S459 PolarHBondContact O-N 3.36Å; R456-S459 PolarHBondContact O-OG 3.47Å; R456-S461 VanDerWaalsContact CZ-OG 3.27Å; R456-S461 PolarHBondContact NH1-OG 2.96Å; R456-S461 PolarHBondContact NH2-OG 3.46Å; R456-S461 VanDerWaalsContact O-CB 3.26Å; R456-S461 WeakPolarHBondContact O-CB 3.43Å; R456-S461 PolarHBondContact O-N 2.82Å
457	K	93.8	Very high	96.3	Very high	27 Å²	27	33.8 Å²	33.8	12%	0.117	16%	0.158	C	C	.	.	H	α-helix	trans	-72.2	-23.5	-178.5	80.9	-173.7	-175.6	-170.3	0	113.1	Y453 W454 F462 L570	Y453-K457 VanDerWaalsContact O-CB 3.29Å; Y453-K457 WeakPolarHBondContact O-CB 3.34Å; Y453-K457 WeakPolarHBondContact O-CD 3.29Å; Y453-K457 WeakPolarHBondContact O-CG 3.2Å; Y453-K457 PolarHBondContact O-N 3.21Å; W454-K457 HydrophobicContact CE3-CD 4.38Å; W454-K457 VanDerWaalsContact CE3-NZ 3.34Å; W454-K457 VanDerWaalsContact CZ2-NZ 3.25Å; K457-F462 WeakPolarHBondContact O-CB 3.44Å; K457-L570 VanDerWaalsContact NZ-CD2 3.33Å
458	K	95.1	Very high	96.4	Very high	137 Å²	137	29 Å²	29	60%	0.596	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-4.6	174.7	-77.3	177.3	165.8	168.3	0	112.9	W454 T455 R456 P514	W454-K458 HydrophobicContact CE3-CD 3.99Å; W454-K458 HydrophobicContact CE3-CG 4.32Å; W454-K458 HydrophobicContact CZ3-CD 4.43Å; W454-K458 VanDerWaalsContact CZ3-CE 3.41Å; W454-K458 WeakPolarHBondContact O-CG 3.49Å; W454-K458 PolarHBondContact O-N 3.23Å; T455-K458 PolarHBondContact O-N 3.27Å; R456-K458 VanDerWaalsContact C-N 3.3Å; R456-K458 PolarHBondContact O-N 3.38Å; K458-P514 WeakPolarHBondContact O-CD 3Å
459	S	95.6	Very high	96.4	Very high	29 Å²	29	29 Å²	29	20%	0.203	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.9	-115.3	-169.6	60.4	0	0	0	0	112	T455 R456 V463 P512	T455-S459 PolarHBondContact O-OG 2.94Å; R456-S459 CarbonylContact O-C 3.59Å; R456-S459 PolarHBondContact O-N 3.36Å; R456-S459 PolarHBondContact O-OG 3.47Å; S459-V463 PolarHBondContact O-N 3.25Å; S459-P512 WeakPolarHBondContact CA-O 3.44Å
460	H	97.6	Very high	96.5	Very high	6 Å²	6	29 Å²	29	3%	0.028	14%	0.135	C	C	.	.	H	α-helix	trans	-69	-36.5	-166.8	60.6	-77	0	0	0	114.1	D425 F462 V464 V509 P512	D425-H460 IonicContact OD1-CD2 3.86Å; D425-H460 IonicContact OD1-CE1 3.82Å; D425-H460 IonicContact OD1-NE2 3.16Å; D425-H460 PolarHBondContact OD1-NE2 3.28Å; H460-F462 PolarHBondContact O-N 3.43Å; H460-V464 VanDerWaalsContact O-CB 3.24Å; H460-V464 WeakPolarHBondContact O-CB 3.44Å; H460-V464 WeakPolarHBondContact O-CG2 3.35Å; H460-V464 PolarHBondContact O-N 3.06Å; H460-V509 HydrophobicContact CB-CG1 3.9Å; H460-P512 HydrophobicContact CB-CB 4.43Å
461	S	96.9	Very high	96.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.2	-49.9	178.9	-177.6	0	0	0	0	110.6	R456 N465 E566	R456-S461 VanDerWaalsContact CZ-OG 3.27Å; R456-S461 PolarHBondContact NH1-OG 2.96Å; R456-S461 PolarHBondContact NH2-OG 3.46Å; R456-S461 VanDerWaalsContact O-CB 3.26Å; R456-S461 WeakPolarHBondContact O-CB 3.43Å; R456-S461 PolarHBondContact O-N 2.82Å; S461-N465 WeakPolarHBondContact O-CB 3.28Å; S461-N465 PolarHBondContact O-N 2.92Å; S461-N465 PolarHBondContact O-ND2 2.57Å; S461-N465 PolarHBondContact OG-ND2 3.08Å; S461-E566 PolarHBondContact OG-OE2 3.29Å
462	F	97.4	Very high	96.5	Very high	11 Å²	11	23.4 Å²	23.4	5%	0.048	11%	0.11	C	C	.	.	H	α-helix	trans	-61.3	-53.2	-178.2	-176.6	-75.9	0	0	0	110.9	K457 H460 V466 P514 L517 I518 I563 E566	K457-F462 WeakPolarHBondContact O-CB 3.44Å; H460-F462 PolarHBondContact O-N 3.43Å; F462-V466 HydrophobicContact CD1-CG2 4.28Å; F462-V466 HydrophobicContact CE1-CG2 4.27Å; F462-V466 HydrophobicContact CG-CG2 4.43Å; F462-V466 HydrophobicContact CZ-CG2 4.44Å; F462-V466 WeakPolarHBondContact O-CB 3.42Å; F462-V466 WeakPolarHBondContact O-CG2 3.43Å; F462-V466 PolarHBondContact O-N 2.92Å; F462-P514 HydrophobicContact CB-CG 4.22Å; F462-P514 HydrophobicContact CD1-CB 3.56Å; F462-P514 HydrophobicContact CD1-CG 3.83Å; F462-P514 HydrophobicContact CE1-CB 3.6Å; F462-P514 HydrophobicContact CE1-CG 4.37Å; F462-P514 HydrophobicContact CG-CB 4.1Å; F462-P514 HydrophobicContact CG-CG 4.02Å; F462-P514 HydrophobicContact CZ-CB 4.13Å; F462-L517 HydrophobicContact CE1-CD2 4.45Å; F462-I518 HydrophobicContact CZ-CD1 4.19Å; F462-I563 HydrophobicContact CE2-CB 4.48Å; F462-I563 HydrophobicContact CE2-CG1 4.34Å; F462-I563 HydrophobicContact CE2-CG2 4.11Å; F462-I563 HydrophobicContact CZ-CB 4.45Å; F462-I563 HydrophobicContact CZ-CG1 3.84Å; F462-I563 HydrophobicContact CZ-CG2 4.28Å; F462-E566 HydrophobicContact CD2-CB 3.82Å; F462-E566 HydrophobicContact CD2-CG 4.27Å; F462-E566 HydrophobicContact CE2-CB 4.46Å
463	V	97.9	Very high	96.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.4	-50.6	-175.7	170.1	0	0	0	0	111.2	S459 N465 L467 L506 P512 L517	S459-V463 PolarHBondContact O-N 3.25Å; V463-N465 PolarHBondContact O-N 3.5Å; V463-L467 WeakPolarHBondContact O-CB 3.44Å; V463-L467 PolarHBondContact O-N 2.97Å; V463-L506 HydrophobicContact CG1-CB 3.78Å; V463-L506 HydrophobicContact CG1-CD2 3.72Å; V463-L506 HydrophobicContact CG1-CG 4.33Å; V463-L506 HydrophobicContact CG2-CD2 4.13Å; V463-P512 HydrophobicContact CB-CB 4.01Å; V463-P512 HydrophobicContact CG1-CB 4.32Å; V463-P512 VanDerWaalsContact CG2-C 3.45Å; V463-P512 HydrophobicContact CG2-CB 4.1Å; V463-L517 HydrophobicContact CB-CD1 4.38Å; V463-L517 HydrophobicContact CG1-CD1 4.18Å; V463-L517 HydrophobicContact CG2-CD1 4.44Å
464	V	97.9	Very high	96.3	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.024	12%	0.118	C	C	.	.	H	α-helix	trans	-66.6	-41.4	-175	177	0	0	0	0	111.5	R411 V421 H460 A468 V509	R411-V464 HydrophobicContact CG-CG1 4.16Å; V421-V464 HydrophobicContact CG2-CB 3.75Å; V421-V464 HydrophobicContact CG2-CG1 3.7Å; V421-V464 HydrophobicContact CG2-CG2 3.94Å; H460-V464 VanDerWaalsContact O-CB 3.24Å; H460-V464 WeakPolarHBondContact O-CB 3.44Å; H460-V464 WeakPolarHBondContact O-CG2 3.35Å; H460-V464 PolarHBondContact O-N 3.06Å; V464-A468 WeakPolarHBondContact O-CB 3.31Å; V464-A468 PolarHBondContact O-N 3.36Å; V464-A468 VanDerWaalsContact O-N 3.09Å; V464-V509 HydrophobicContact CG2-CB 4.44Å; V464-V509 HydrophobicContact CG2-CG1 3.91Å; V464-V509 HydrophobicContact CG2-CG2 3.58Å
465	N	97.4	Very high	96.2	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.011	10%	0.1	C	C	.	.	H	α-helix	trans	-71.9	-49.3	-177	-64.3	-8.8	0	0	0	111.9	N409 R411 S461 V463 Q469 E566	N409-N465 PolarHBondContact ND2-ND2 3.22Å; N409-N465 PolarHBondContact OD1-ND2 3.33Å; R411-N465 PolarHBondContact NE-OD1 2.7Å; R411-N465 PolarHBondContact NH2-OD1 3.42Å; S461-N465 WeakPolarHBondContact O-CB 3.28Å; S461-N465 PolarHBondContact O-N 2.92Å; S461-N465 PolarHBondContact O-ND2 2.57Å; S461-N465 PolarHBondContact OG-ND2 3.08Å; V463-N465 PolarHBondContact O-N 3.5Å; N465-Q469 PolarHBondContact O-N 3.12Å; N465-E566 HydrophobicContact CB-CG 4.5Å; N465-E566 VanDerWaalsContact CB-OE1 3.27Å; N465-E566 WeakPolarHBondContact CB-OE1 3.28Å; N465-E566 PolarHBondContact ND2-OE1 3.24Å
466	V	97.6	Very high	96	Very high	1 Å²	1	17 Å²	17	1%	0.006	8%	0.083	C	C	.	.	H	α-helix	trans	-66.7	-44.9	-178.2	178.5	0	0	0	0	109.9	F462 A468 Q469 A470 L517 I559 L562 E566	F462-V466 HydrophobicContact CD1-CG2 4.28Å; F462-V466 HydrophobicContact CE1-CG2 4.27Å; F462-V466 HydrophobicContact CG-CG2 4.43Å; F462-V466 HydrophobicContact CZ-CG2 4.44Å; F462-V466 WeakPolarHBondContact O-CB 3.42Å; F462-V466 WeakPolarHBondContact O-CG2 3.43Å; F462-V466 PolarHBondContact O-N 2.92Å; V466-A468 PolarHBondContact O-N 3.15Å; V466-Q469 PolarHBondContact O-N 3.09Å; V466-A470 WeakPolarHBondContact O-CB 3.2Å; V466-A470 PolarHBondContact O-N 3.21Å; V466-L517 HydrophobicContact CB-CD1 4.27Å; V466-L517 HydrophobicContact CB-CD2 4.47Å; V466-L517 HydrophobicContact CG1-CD1 4.38Å; V466-L517 HydrophobicContact CG1-CD2 3.79Å; V466-I559 HydrophobicContact CG1-CD1 3.39Å; V466-I559 HydrophobicContact CG1-CG1 4.43Å; V466-L562 HydrophobicContact CG1-CB 4.07Å; V466-L562 HydrophobicContact CG2-CB 4.25Å; V466-E566 HydrophobicContact CG2-CG 3.91Å
467	L	97.5	Very high	95.6	Very high	23 Å²	23	17.8 Å²	17.8	12%	0.12	9%	0.09	C	C	.	.	H	α-helix	trans	-61.2	-46.7	178.6	-174.1	68.3	0	0	0	111.6	T415 V463 Q469 A470 L471 L506 L507 L517	T415-L467 HydrophobicContact CG2-CG 4.47Å; V463-L467 WeakPolarHBondContact O-CB 3.44Å; V463-L467 PolarHBondContact O-N 2.97Å; L467-Q469 PolarHBondContact O-N 3.04Å; L467-A470 PolarHBondContact O-N 2.85Å; L467-L471 HydrophobicContact CD1-CD1 3.7Å; L467-L471 HydrophobicContact CD1-CG 3.86Å; L467-L471 HydrophobicContact CD2-CD1 4.38Å; L467-L471 HydrophobicContact CG-CD1 3.76Å; L467-L471 HydrophobicContact CG-CG 4.2Å; L467-L471 VanDerWaalsContact O-CB 3.28Å; L467-L471 WeakPolarHBondContact O-CB 3.33Å; L467-L471 WeakPolarHBondContact O-CG 3.34Å; L467-L471 PolarHBondContact O-N 3.19Å; L467-L506 HydrophobicContact CD2-CB 4.08Å; L467-L507 HydrophobicContact CD2-CB 4.37Å; L467-L517 HydrophobicContact CB-CD1 3.8Å; L467-L517 HydrophobicContact CD1-CD1 4.42Å
468	A	96.9	Very high	95.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.4	-46.2	-177.8	0	0	0	0	0	112.4	R411 H412 T415 V464 V466 Y472	R411-A468 HydrophobicContact CB-CB 3.97Å; R411-A468 HydrophobicContact CG-CB 3.88Å; H412-A468 HydrophobicContact CB-CB 4.39Å; T415-A468 HydrophobicContact CG2-CB 4.28Å; T415-A468 WeakPolarHBondContact OG1-CB 3.4Å; V464-A468 WeakPolarHBondContact O-CB 3.31Å; V464-A468 PolarHBondContact O-N 3.36Å; V464-A468 VanDerWaalsContact O-N 3.09Å; V466-A468 PolarHBondContact O-N 3.15Å; A468-Y472 WeakPolarHBondContact O-CB 3.16Å; A468-Y472 PolarHBondContact O-N 2.66Å; A468-Y472 VanDerWaalsContact O-N 3.09Å
469	Q	96.8	Very high	95.1	Very high	6 Å²	6	16.3 Å²	16.3	3%	0.028	9%	0.094	C	C	.	.	H	α-helix	trans	-73.4	-42.8	179.8	-63.8	-57.7	-16.7	0	0	112.1	F390 N465 V466 L467 Y472 E473 L562	F390-Q469 VanDerWaalsContact CB-NE2 3.29Å; F390-Q469 HydrophobicContact CD2-CG 3.76Å; F390-Q469 HydrophobicContact CE2-CG 3.83Å; F390-Q469 HydrophobicContact CG-CG 4.28Å; F390-Q469 HydrophobicContact CZ-CG 4.42Å; N465-Q469 PolarHBondContact O-N 3.12Å; V466-Q469 PolarHBondContact O-N 3.09Å; L467-Q469 PolarHBondContact O-N 3.04Å; Q469-Y472 PolarHBondContact O-N 3.34Å; Q469-E473 WeakPolarHBondContact O-CG 3.4Å; Q469-E473 PolarHBondContact O-N 2.96Å; Q469-L562 HydrophobicContact CB-CD1 3.67Å; Q469-L562 HydrophobicContact CB-CD2 3.55Å; Q469-L562 HydrophobicContact CB-CG 4.27Å; Q469-L562 HydrophobicContact CG-CD2 3.91Å
470	A	96.2	Very high	94.9	Very high	4 Å²	4	21.1 Å²	21.1	3%	0.033	12%	0.117	C	C	.	.	H	α-helix	trans	-64.3	-44.5	-179.7	0	0	0	0	0	111.9	V466 L467 L474 F521 I558 I559 L562	V466-A470 WeakPolarHBondContact O-CB 3.2Å; V466-A470 PolarHBondContact O-N 3.21Å; L467-A470 PolarHBondContact O-N 2.85Å; A470-L474 VanDerWaalsContact O-CB 3.26Å; A470-L474 WeakPolarHBondContact O-CB 3.43Å; A470-L474 PolarHBondContact O-N 3.35Å; A470-L474 VanDerWaalsContact O-N 3.12Å; A470-F521 HydrophobicContact CB-CD2 4.32Å; A470-F521 HydrophobicContact CB-CE2 3.99Å; A470-I558 HydrophobicContact CB-CG2 4.03Å; A470-I559 HydrophobicContact CB-CD1 4.15Å; A470-L562 HydrophobicContact CB-CD1 4.04Å
471	L	95.1	Very high	94.8	Very high	31 Å²	31	21.7 Å²	21.7	16%	0.162	12%	0.122	C	C	.	.	H	α-helix	trans	-67.4	-35.6	175.3	-75.1	-178.3	0	0	0	112.3	L414 T415 L467 L474 F475	L414-L471 HydrophobicContact CD2-CB 4.16Å; T415-L471 HydrophobicContact CG2-CD1 4.09Å; L467-L471 HydrophobicContact CD1-CD1 3.7Å; L467-L471 HydrophobicContact CD1-CG 3.86Å; L467-L471 HydrophobicContact CD2-CD1 4.38Å; L467-L471 HydrophobicContact CG-CD1 3.76Å; L467-L471 HydrophobicContact CG-CG 4.2Å; L467-L471 VanDerWaalsContact O-CB 3.28Å; L467-L471 WeakPolarHBondContact O-CB 3.33Å; L467-L471 WeakPolarHBondContact O-CG 3.34Å; L467-L471 PolarHBondContact O-N 3.19Å; L471-L474 HydrophobicContact CD2-CD2 4.38Å; L471-L474 WeakPolarHBondContact O-CB 3.26Å; L471-L474 PolarHBondContact O-N 3.48Å; L471-F475 HydrophobicContact CD2-CE1 4.5Å; L471-F475 HydrophobicContact CD2-CE2 4.35Å; L471-F475 HydrophobicContact CD2-CZ 4.05Å; L471-F475 WeakPolarHBondContact O-CB 3.45Å; L471-F475 WeakPolarHBondContact O-CG 3.31Å; L471-F475 PolarHBondContact O-N 3.06Å
472	Y	96.6	Very high	94.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.7	-50.9	177.1	171.1	-105.7	0	0	0	111.9	S301 S302 D345 R347 H412 A468 Q469 L474 F475 A476	S301-Y472 PolarHBondContact O-OH 3.12Å; S302-Y472 WeakPolarHBondContact CB-OH 3.43Å; S302-Y472 PolarHBondContact OG-OH 2.8Å; D345-Y472 WeakPolarHBondContact OD2-CE2 3.25Å; R347-Y472 WeakPolarHBondContact CD-OH 3.43Å; R347-Y472 WeakPolarHBondContact CG-OH 3.48Å; H412-Y472 HydrophobicContact CB-CG 4.46Å; H412-Y472 AromaticContact CD2-CD1 3.63Å; H412-Y472 AromaticContact CD2-CD2 3.61Å; H412-Y472 AromaticContact CD2-CE1 3.99Å; H412-Y472 AromaticContact CD2-CE2 3.95Å; H412-Y472 AromaticContact CD2-CG 3.43Å; H412-Y472 VanDerWaalsContact CD2-CG 3.43Å; H412-Y472 AromaticContact CE1-CD2 3.24Å; H412-Y472 WeakPolarHBondContact CE1-CD2 3.25Å; H412-Y472 AromaticContact CE1-CE2 3.71Å; H412-Y472 AromaticContact CE1-CG 3.76Å; H412-Y472 AromaticContact CG-CD2 3.95Å; H412-Y472 AromaticContact CG-CG 3.63Å; H412-Y472 AromaticContact ND1-CD2 3.72Å; H412-Y472 AromaticContact ND1-CG 3.81Å; H412-Y472 AromaticContact NE2-CD2 3.18Å; H412-Y472 WeakPolarHBondContact NE2-CD2 3.44Å; H412-Y472 AromaticContact NE2-CE2 3.29Å; H412-Y472 VanDerWaalsContact NE2-CE2 3.29Å; H412-Y472 WeakPolarHBondContact NE2-CE2 3.36Å; H412-Y472 AromaticContact NE2-CG 3.56Å; H412-Y472 AromaticContact NE2-CZ 3.77Å; A468-Y472 WeakPolarHBondContact O-CB 3.16Å; A468-Y472 PolarHBondContact O-N 2.66Å; A468-Y472 VanDerWaalsContact O-N 3.09Å; Q469-Y472 PolarHBondContact O-N 3.34Å; Y472-L474 PolarHBondContact O-N 3.4Å; Y472-L474 VanDerWaalsContact O-N 3.15Å; Y472-F475 PolarHBondContact O-N 2.87Å; Y472-A476 HydrophobicContact CD2-CB 4.16Å; Y472-A476 HydrophobicContact CE2-CB 3.6Å; Y472-A476 WeakPolarHBondContact O-CB 3.46Å; Y472-A476 PolarHBondContact O-N 2.84Å
473	E	94.6	Very high	94.4	Very high	52 Å²	52	24.1 Å²	24.1	24%	0.243	13%	0.133	C	C	.	.	H	α-helix	trans	-58.7	-30.3	176.3	-70.6	-66.5	174.6	0	0	112	R347 Q469 I558	R347-E473 IonicContact CZ-OE2 3.25Å; R347-E473 VanDerWaalsContact CZ-OE2 3.3Å; R347-E473 IonicContact NH1-OE2 3.84Å; R347-E473 PolarHBondContact NH1-OE2 2.96Å; R347-E473 IonicContact NH2-OE1 3.2Å; R347-E473 PolarHBondContact NH2-OE1 3.39Å; R347-E473 IonicContact NH2-OE2 2.64Å; R347-E473 PolarHBondContact NH2-OE2 2.92Å; Q469-E473 WeakPolarHBondContact O-CG 3.4Å; Q469-E473 PolarHBondContact O-N 2.96Å; E473-I558 HydrophobicContact CB-CD1 4.13Å; E473-I558 HydrophobicContact CB-CG1 4.43Å
474	L	93.5	Very high	94.3	Very high	12 Å²	12	27.2 Å²	27.2	6%	0.063	15%	0.148	C	C	.	.	H	α-helix	trans	-72.4	-48.7	175.7	-173.2	64.4	0	0	0	113.2	A470 L471 Y472 A477 L485 K486 C489	A470-L474 VanDerWaalsContact O-CB 3.26Å; A470-L474 WeakPolarHBondContact O-CB 3.43Å; A470-L474 PolarHBondContact O-N 3.35Å; A470-L474 VanDerWaalsContact O-N 3.12Å; L471-L474 HydrophobicContact CD2-CD2 4.38Å; L471-L474 WeakPolarHBondContact O-CB 3.26Å; L471-L474 PolarHBondContact O-N 3.48Å; Y472-L474 PolarHBondContact O-N 3.4Å; Y472-L474 VanDerWaalsContact O-N 3.15Å; L474-A477 WeakPolarHBondContact O-CB 3.48Å; L474-L485 VanDerWaalsContact CD1-C 3.46Å; L474-L485 HydrophobicContact CD1-CB 3.17Å; L474-L485 HydrophobicContact CD1-CD1 4.46Å; L474-L485 HydrophobicContact CD1-CG 4.39Å; L474-K486 HydrophobicContact CD1-CB 4.44Å; L474-K486 HydrophobicContact CG-CB 4.4Å; L474-C489 HydrophobicContact CD2-CB 3.71Å
475	F	93.4	Very high	94.2	Very high	7 Å²	7	27.3 Å²	27.3	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-81	-26.4	-174.2	-67.4	-13.7	0	0	0	113.2	L322 L324 P329 L414 L471 Y472 A477 K486 C489	L322-F475 HydrophobicContact CD2-CD2 4.13Å; L322-F475 HydrophobicContact CD2-CE2 3.71Å; L324-F475 HydrophobicContact CD2-CB 4.27Å; L324-F475 HydrophobicContact CD2-CD1 3.9Å; L324-F475 HydrophobicContact CD2-CD2 3.75Å; L324-F475 HydrophobicContact CD2-CE1 4.1Å; L324-F475 HydrophobicContact CD2-CE2 3.98Å; L324-F475 HydrophobicContact CD2-CG 3.71Å; L324-F475 HydrophobicContact CD2-CZ 4.14Å; P329-F475 HydrophobicContact CB-CB 4.4Å; P329-F475 HydrophobicContact CG-CB 4.25Å; L414-F475 HydrophobicContact CD2-CD2 4.04Å; L471-F475 HydrophobicContact CD2-CE1 4.5Å; L471-F475 HydrophobicContact CD2-CE2 4.35Å; L471-F475 HydrophobicContact CD2-CZ 4.05Å; L471-F475 WeakPolarHBondContact O-CB 3.45Å; L471-F475 WeakPolarHBondContact O-CG 3.31Å; L471-F475 PolarHBondContact O-N 3.06Å; Y472-F475 PolarHBondContact O-N 2.87Å; F475-A477 VanDerWaalsContact C-N 3.29Å; F475-A477 PolarHBondContact O-N 2.81Å; F475-K486 HydrophobicContact CD1-CG 4.13Å; F475-C489 HydrophobicContact CE1-CB 4.41Å
476	A	92.5	Very high	94.1	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.008	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	45.7	168.8	0	0	0	0	0	111.2	T327 R347 Y472 T478	T327-A476 WeakPolarHBondContact O-CA 3.47Å; R347-A476 PolarHBondContact NH1-O 3.3Å; Y472-A476 HydrophobicContact CD2-CB 4.16Å; Y472-A476 HydrophobicContact CE2-CB 3.6Å; Y472-A476 WeakPolarHBondContact O-CB 3.46Å; Y472-A476 PolarHBondContact O-N 2.84Å; A476-T478 PolarHBondContact O-N 2.78Å
477	A	87.1	Confident	94	Very high	21 Å²	21	30.8 Å²	30.8	17%	0.174	16%	0.163	C	C	.	.			trans	-56.9	127	-175.6	0	0	0	0	0	112.2	L474 F475 L482 H483	L474-A477 WeakPolarHBondContact O-CB 3.48Å; F475-A477 VanDerWaalsContact C-N 3.29Å; F475-A477 PolarHBondContact O-N 2.81Å; A477-L482 HydrophobicContact CB-CB 3.52Å; A477-H483 HydrophobicContact CB-CB 4.23Å
478	T	87.2	Confident	93.9	Very high	97 Å²	97	29.7 Å²	29.7	60%	0.595	16%	0.158	S	C	*	.			trans	-103.9	-6.9	179.6	58.3	0	0	0	0	113.9	A476	A476-T478 PolarHBondContact O-N 2.78Å
479	D	91.5	Very high	94	Very high	35 Å²	35	30 Å²	30	19%	0.187	16%	0.159	C	C	.	.	S	Bend	trans	-141.4	165	179.4	71.4	52.4	0	0	0	111.7	S481 L482 H483 R554	D479-S481 VanDerWaalsContact C-N 3.25Å; D479-S481 PolarHBondContact O-N 2.98Å; D479-S481 WeakPolarHBondContact OD1-CA 3.49Å; D479-S481 VanDerWaalsContact OD1-CB 3.31Å; D479-S481 WeakPolarHBondContact OD1-CB 3.37Å; D479-S481 PolarHBondContact OD1-N 3.49Å; D479-L482 PolarHBondContact O-N 3.39Å; D479-L482 PolarHBondContact OD1-N 3.41Å; D479-H483 WeakPolarHBondContact O-CB 3.17Å; D479-H483 PolarHBondContact O-N 3.05Å; D479-R554 IonicContact OD2-CZ 3.18Å; D479-R554 IonicContact OD2-NE 2.87Å; D479-R554 PolarHBondContact OD2-NE 3.27Å; D479-R554 IonicContact OD2-NH2 2.73Å; D479-R554 PolarHBondContact OD2-NH2 2.89Å
480	D	91.9	Very high	94	Very high	130 Å²	130	29.8 Å²	29.8	70%	0.695	16%	0.158	S	C	*	.	H	α-helix	trans	-61.1	-32.1	-175.3	-62.6	-28.1	0	0	0	113.3	H483 Q484	D480-H483 PolarHBondContact O-N 3.09Å; D480-Q484 WeakPolarHBondContact O-CB 3.44Å; D480-Q484 VanDerWaalsContact O-CG 3.26Å; D480-Q484 WeakPolarHBondContact O-CG 3.37Å; D480-Q484 PolarHBondContact O-N 3.18Å
481	S	94.1	Very high	94	Very high	19 Å²	19	32.3 Å²	32.3	13%	0.133	17%	0.169	C	C	.	.	H	α-helix	trans	-71.9	-42.1	-179.9	-60.8	0	0	0	0	110.9	D479 H483 Q484 L485	D479-S481 VanDerWaalsContact C-N 3.25Å; D479-S481 PolarHBondContact O-N 2.98Å; D479-S481 WeakPolarHBondContact OD1-CA 3.49Å; D479-S481 VanDerWaalsContact OD1-CB 3.31Å; D479-S481 WeakPolarHBondContact OD1-CB 3.37Å; D479-S481 PolarHBondContact OD1-N 3.49Å; S481-H483 VanDerWaalsContact C-N 3.31Å; S481-Q484 PolarHBondContact O-N 3.38Å; S481-L485 WeakPolarHBondContact O-CG 3.37Å; S481-L485 PolarHBondContact O-N 3.33Å
482	L	93.4	Very high	94.1	Very high	8 Å²	8	31.8 Å²	31.8	4%	0.042	17%	0.165	C	C	.	.	H	α-helix	trans	-64.9	-38.8	172.8	-63.9	-180	0	0	0	111.4	A477 D479 L485 K486 R554 I558	A477-L482 HydrophobicContact CB-CB 3.52Å; D479-L482 PolarHBondContact O-N 3.39Å; D479-L482 PolarHBondContact OD1-N 3.41Å; L482-L485 HydrophobicContact CD2-CD1 4.25Å; L482-L485 PolarHBondContact O-N 2.92Å; L482-K486 WeakPolarHBondContact O-CB 3.47Å; L482-K486 PolarHBondContact O-N 2.87Å; L482-R554 HydrophobicContact CD2-CB 4.48Å; L482-I558 HydrophobicContact CD2-CD1 3.28Å; L482-I558 HydrophobicContact CD2-CG1 4.5Å
483	H	93.9	Very high	94.1	Very high	53 Å²	53	32.9 Å²	32.9	25%	0.245	17%	0.17	C	C	.	.	H	α-helix	trans	-65.5	-38.6	176.5	-175.1	76.4	0	0	0	112	E199 A477 D479 D480 S481 K486 K487	E199-H483 IonicContact OE1-NE2 3.14Å; E199-H483 IonicContact OE2-CE1 3.14Å; E199-H483 PolarHBondContact OE2-CE1 3.47Å; E199-H483 IonicContact OE2-NE2 2.72Å; E199-H483 PolarHBondContact OE2-NE2 3.42Å; A477-H483 HydrophobicContact CB-CB 4.23Å; D479-H483 WeakPolarHBondContact O-CB 3.17Å; D479-H483 PolarHBondContact O-N 3.05Å; D480-H483 PolarHBondContact O-N 3.09Å; S481-H483 VanDerWaalsContact C-N 3.31Å; H483-K486 WeakPolarHBondContact O-CB 3.44Å; H483-K486 PolarHBondContact O-N 3.27Å; H483-K487 WeakPolarHBondContact NE2-CE 2.82Å; H483-K487 PolarHBondContact NE2-NZ 3.08Å; H483-K487 PolarHBondContact O-N 3.49Å; H483-K487 VanDerWaalsContact O-N 3.08Å
484	Q	94.6	Very high	94.2	Very high	66 Å²	66	36.9 Å²	36.9	31%	0.308	18%	0.183	S	C	.	.	H	α-helix	trans	-63.3	-42.5	171.1	-74.9	172.6	26	0	0	112.2	D480 S481 K486 K487 A488 C532 V551	D480-Q484 WeakPolarHBondContact O-CB 3.44Å; D480-Q484 VanDerWaalsContact O-CG 3.26Å; D480-Q484 WeakPolarHBondContact O-CG 3.37Å; D480-Q484 PolarHBondContact O-N 3.18Å; S481-Q484 PolarHBondContact O-N 3.38Å; Q484-K486 VanDerWaalsContact C-N 3.32Å; Q484-K486 PolarHBondContact O-N 2.96Å; Q484-K487 PolarHBondContact O-N 2.97Å; Q484-A488 WeakPolarHBondContact O-CB 3.15Å; Q484-A488 PolarHBondContact O-N 3.48Å; Q484-C532 PolarHBondContact OE1-SG 2.83Å; Q484-V551 HydrophobicContact CB-CG2 4.37Å
485	L	95.8	Very high	94.4	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-63.5	-38.4	174.9	-71.7	162.4	0	0	0	111.2	L474 S481 L482 A488 C489 A525 A528 V551 S555	L474-L485 VanDerWaalsContact CD1-C 3.46Å; L474-L485 HydrophobicContact CD1-CB 3.17Å; L474-L485 HydrophobicContact CD1-CD1 4.46Å; L474-L485 HydrophobicContact CD1-CG 4.39Å; S481-L485 WeakPolarHBondContact O-CG 3.37Å; S481-L485 PolarHBondContact O-N 3.33Å; L482-L485 HydrophobicContact CD2-CD1 4.25Å; L482-L485 PolarHBondContact O-N 2.92Å; L485-A488 PolarHBondContact O-N 3.29Å; L485-C489 WeakPolarHBondContact O-CB 3.38Å; L485-C489 PolarHBondContact O-N 2.82Å; L485-A525 HydrophobicContact CD2-CB 4.06Å; L485-A528 HydrophobicContact CD2-CB 3.79Å; L485-A528 HydrophobicContact CG-CB 4.35Å; L485-V551 HydrophobicContact CD2-CG1 3.77Å; L485-V551 HydrophobicContact CG-CG1 4.01Å; L485-S555 WeakPolarHBondContact CD1-OG 3.19Å; L485-S555 WeakPolarHBondContact CD2-OG 3.43Å
486	K	95.7	Very high	94.4	Very high	9 Å²	9	42 Å²	42	4%	0.039	22%	0.217	C	C	.	.	H	α-helix	trans	-59.2	-50.5	177	176.1	-177	171.9	-175.8	0	110.4	L324 A325 L474 F475 L482 H483 Q484 C489 F490	L324-K486 PolarHBondContact O-NZ 2.88Å; A325-K486 PolarHBondContact O-NZ 2.9Å; L474-K486 HydrophobicContact CD1-CB 4.44Å; L474-K486 HydrophobicContact CG-CB 4.4Å; F475-K486 HydrophobicContact CD1-CG 4.13Å; L482-K486 WeakPolarHBondContact O-CB 3.47Å; L482-K486 PolarHBondContact O-N 2.87Å; H483-K486 WeakPolarHBondContact O-CB 3.44Å; H483-K486 PolarHBondContact O-N 3.27Å; Q484-K486 VanDerWaalsContact C-N 3.32Å; Q484-K486 PolarHBondContact O-N 2.96Å; K486-C489 WeakPolarHBondContact O-CB 3.49Å; K486-C489 PolarHBondContact O-N 3.42Å; K486-F490 PolarHBondContact O-N 3Å; K486-F490 VanDerWaalsContact O-N 3.08Å
487	K	95.1	Very high	94.6	Very high	67 Å²	67	44.7 Å²	44.7	29%	0.291	25%	0.245	S	C	.	.	H	α-helix	trans	-58.9	-47.2	175	-72.7	176.6	170.1	166.9	0	112	E199 H483 Q484 C489 F490 H491	E199-K487 VanDerWaalsContact CD-NZ 3.25Å; E199-K487 WeakPolarHBondContact OE1-CE 3.27Å; E199-K487 IonicContact OE1-NZ 3.49Å; E199-K487 PolarHBondContact OE1-NZ 2.64Å; E199-K487 WeakPolarHBondContact OE2-CE 3.11Å; E199-K487 IonicContact OE2-NZ 2.62Å; E199-K487 PolarHBondContact OE2-NZ 3.44Å; H483-K487 WeakPolarHBondContact NE2-CE 2.82Å; H483-K487 PolarHBondContact NE2-NZ 3.08Å; H483-K487 PolarHBondContact O-N 3.49Å; H483-K487 VanDerWaalsContact O-N 3.08Å; Q484-K487 PolarHBondContact O-N 2.97Å; K487-C489 VanDerWaalsContact C-N 3.28Å; K487-C489 PolarHBondContact O-N 3.25Å; K487-F490 PolarHBondContact O-N 2.89Å; K487-H491 PolarHBondContact O-CD2 3.07Å; K487-H491 PolarHBondContact O-N 3.06Å
488	A	96.9	Very high	95	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-38.1	178.6	0	0	0	0	0	111.9	Q484 L485 H491 Y492 V524 A528 F531	Q484-A488 WeakPolarHBondContact O-CB 3.15Å; Q484-A488 PolarHBondContact O-N 3.48Å; L485-A488 PolarHBondContact O-N 3.29Å; A488-H491 PolarHBondContact O-N 3.31Å; A488-Y492 WeakPolarHBondContact O-CB 3.3Å; A488-Y492 PolarHBondContact O-N 3.46Å; A488-V524 HydrophobicContact CB-CG1 4.35Å; A488-A528 HydrophobicContact CB-CB 3.57Å; A488-F531 HydrophobicContact CB-CD2 4.38Å
489	C	97.3	Very high	95.4	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.034	24%	0.244	C	C	.	.	H	α-helix	trans	-63.9	-45.8	176.3	-173.8	0	0	0	0	111.9	L474 F475 L485 K486 K487 Y492 F493 V524	L474-C489 HydrophobicContact CD2-CB 3.71Å; F475-C489 HydrophobicContact CE1-CB 4.41Å; L485-C489 WeakPolarHBondContact O-CB 3.38Å; L485-C489 PolarHBondContact O-N 2.82Å; K486-C489 WeakPolarHBondContact O-CB 3.49Å; K486-C489 PolarHBondContact O-N 3.42Å; K487-C489 VanDerWaalsContact C-N 3.28Å; K487-C489 PolarHBondContact O-N 3.25Å; C489-Y492 WeakPolarHBondContact O-CB 3.27Å; C489-Y492 PolarHBondContact O-N 3.24Å; C489-F493 VanDerWaalsContact O-CD2 3.25Å; C489-F493 WeakPolarHBondContact O-CD2 3.43Å; C489-F493 PolarHBondContact O-N 3.06Å; C489-V524 HydrophobicContact CB-CG1 3.8Å
490	F	96.9	Very high	95.6	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.009	24%	0.24	C	C	.	.	H	α-helix	trans	-60.1	-48.7	174.7	177.5	-100.1	0	0	0	111.9	I195 D197 S202 V204 L324 K486 K487 Y492 F493 R494	I195-F490 HydrophobicContact CG2-CD2 4.02Å; I195-F490 HydrophobicContact CG2-CE2 4.26Å; D197-F490 HydrophobicContact CB-CD1 3.92Å; D197-F490 HydrophobicContact CB-CD2 3.78Å; D197-F490 HydrophobicContact CB-CE1 3.74Å; D197-F490 HydrophobicContact CB-CE2 3.58Å; D197-F490 HydrophobicContact CB-CG 3.94Å; D197-F490 HydrophobicContact CB-CZ 3.57Å; S202-F490 WeakPolarHBondContact O-CZ 3.42Å; S202-F490 VanDerWaalsContact OG-CE1 3.31Å; S202-F490 WeakPolarHBondContact OG-CE1 3.48Å; S202-F490 WeakPolarHBondContact OG-CZ 3.19Å; V204-F490 HydrophobicContact CB-CE2 4.25Å; V204-F490 HydrophobicContact CG1-CD2 4.01Å; V204-F490 HydrophobicContact CG1-CE2 3.7Å; V204-F490 HydrophobicContact CG1-CZ 4.47Å; L324-F490 HydrophobicContact CD1-CB 4.2Å; L324-F490 HydrophobicContact CD1-CD2 4.06Å; L324-F490 HydrophobicContact CD1-CG 4.46Å; K486-F490 PolarHBondContact O-N 3Å; K486-F490 VanDerWaalsContact O-N 3.08Å; K487-F490 PolarHBondContact O-N 2.89Å; F490-Y492 VanDerWaalsContact C-N 3.27Å; F490-Y492 PolarHBondContact O-N 3.37Å; F490-F493 PolarHBondContact O-N 3.48Å; F490-R494 HydrophobicContact CE1-CG 4.5Å; F490-R494 PolarHBondContact O-N 3.2Å
491	H	96.7	Very high	95.8	Very high	57 Å²	57	41.6 Å²	41.6	26%	0.264	22%	0.224	S	C	.	.	H	α-helix	trans	-65.5	-29.9	176.3	-72.5	-57.6	0	0	0	113.3	K487 A488 F493 R494 L495 Y527 F531	K487-H491 PolarHBondContact O-CD2 3.07Å; K487-H491 PolarHBondContact O-N 3.06Å; A488-H491 PolarHBondContact O-N 3.31Å; H491-F493 VanDerWaalsContact C-N 3.33Å; H491-R494 WeakPolarHBondContact O-CB 3.17Å; H491-R494 PolarHBondContact O-N 3.14Å; H491-R494 VanDerWaalsContact O-N 3.13Å; H491-L495 PolarHBondContact O-N 3.44Å; H491-Y527 HydrophobicContact CB-CE1 3.87Å; H491-F531 HydrophobicContact CB-CE2 4.12Å; H491-F531 HydrophobicContact CB-CZ 4.19Å
492	Y	97.8	Very high	95.8	Very high	21 Å²	21	41.1 Å²	41.1	8%	0.082	22%	0.222	C	C	.	.	H	α-helix	trans	-61.9	-43.3	176.3	-175.6	-100.2	0	0	0	110.7	A488 C489 F490 R494 L495 C499 P503 H520 A523 V524 Y527	A488-Y492 WeakPolarHBondContact O-CB 3.3Å; A488-Y492 PolarHBondContact O-N 3.46Å; C489-Y492 WeakPolarHBondContact O-CB 3.27Å; C489-Y492 PolarHBondContact O-N 3.24Å; F490-Y492 VanDerWaalsContact C-N 3.27Å; F490-Y492 PolarHBondContact O-N 3.37Å; Y492-R494 VanDerWaalsContact C-N 3.25Å; Y492-R494 PolarHBondContact O-N 3.32Å; Y492-L495 HydrophobicContact CD2-CD1 4.08Å; Y492-L495 VanDerWaalsContact O-CB 3.29Å; Y492-L495 WeakPolarHBondContact O-CB 3.41Å; Y492-L495 PolarHBondContact O-N 3.26Å; Y492-L495 VanDerWaalsContact O-N 3.09Å; Y492-C499 HydrophobicContact CD1-CB 3.84Å; Y492-C499 HydrophobicContact CD2-CB 4.39Å; Y492-C499 HydrophobicContact CE1-CB 3.52Å; Y492-C499 WeakPolarHBondContact CE1-O 3.43Å; Y492-C499 HydrophobicContact CE2-CB 4.1Å; Y492-C499 HydrophobicContact CG-CB 4.26Å; Y492-C499 VanDerWaalsContact CZ-SG 3.55Å; Y492-C499 WeakPolarHBondContact O-CB 3.37Å; Y492-P503 HydrophobicContact CE1-CG 4.33Å; Y492-H520 AromaticContact CE1-ND1 3.77Å; Y492-H520 AromaticContact CZ-ND1 3.72Å; Y492-H520 PolarHBondContact OH-ND1 3.43Å; Y492-A523 HydrophobicContact CE2-CB 3.9Å; Y492-V524 HydrophobicContact CD1-CG2 3.76Å; Y492-V524 HydrophobicContact CD2-CG2 4.16Å; Y492-V524 HydrophobicContact CE1-CG2 4.26Å; Y492-V524 HydrophobicContact CG-CG2 3.69Å; Y492-Y527 HydrophobicContact CD2-CD1 4.17Å
493	F	97.2	Very high	96	Very high	23 Å²	23	41.9 Å²	41.9	10%	0.101	23%	0.227	C	C	.	.	H	α-helix	trans	-61.8	-34.7	173.8	-60.9	-45.9	0	0	0	112.4	I195 V204 I206 C489 F490 H491 L495 G496 C499 V500 P503	I195-F493 HydrophobicContact CD1-CD2 3.94Å; I195-F493 HydrophobicContact CD1-CE2 3.9Å; V204-F493 HydrophobicContact CG1-CB 4.02Å; V204-F493 HydrophobicContact CG2-CB 3.97Å; I206-F493 HydrophobicContact CD1-CB 3.81Å; I206-F493 HydrophobicContact CD1-CD1 4.14Å; I206-F493 HydrophobicContact CD1-CD2 4.27Å; I206-F493 HydrophobicContact CD1-CG 3.83Å; C489-F493 VanDerWaalsContact O-CD2 3.25Å; C489-F493 WeakPolarHBondContact O-CD2 3.43Å; C489-F493 PolarHBondContact O-N 3.06Å; F490-F493 PolarHBondContact O-N 3.48Å; H491-F493 VanDerWaalsContact C-N 3.33Å; F493-L495 PolarHBondContact O-N 3.25Å; F493-G496 PolarHBondContact O-N 2.91Å; F493-G496 VanDerWaalsContact O-N 3.1Å; F493-C499 WeakPolarHBondContact CD1-O 3.21Å; F493-V500 HydrophobicContact CB-CG2 4.32Å; F493-V500 WeakPolarHBondContact O-CG2 3.39Å; F493-P503 HydrophobicContact CE1-CB 3.83Å; F493-P503 HydrophobicContact CE1-CG 4.11Å
494	R	96.2	Very high	96.1	Very high	136 Å²	136	39.5 Å²	39.5	51%	0.513	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-13	176.5	-65.5	-174.7	64.4	172.5	1.6	114.1	S202 V204 F490 H491 Y492 G496	S202-R494 PolarHBondContact OG-NH1 2.93Å; S202-R494 VanDerWaalsContact OG-NH1 3.12Å; V204-R494 HydrophobicContact CB-CG 4.03Å; V204-R494 HydrophobicContact CG2-CG 4.03Å; F490-R494 HydrophobicContact CE1-CG 4.5Å; F490-R494 PolarHBondContact O-N 3.2Å; H491-R494 WeakPolarHBondContact O-CB 3.17Å; H491-R494 PolarHBondContact O-N 3.14Å; H491-R494 VanDerWaalsContact O-N 3.13Å; Y492-R494 VanDerWaalsContact C-N 3.25Å; Y492-R494 PolarHBondContact O-N 3.32Å; R494-G496 PolarHBondContact O-N 2.88Å
495	L	96.4	Very high	96.2	Very high	96 Å²	96	36.6 Å²	36.6	50%	0.503	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-18.1	172.5	-60.9	176.4	0	0	0	112.7	H491 Y492 F493 C499 Y527	H491-L495 PolarHBondContact O-N 3.44Å; Y492-L495 HydrophobicContact CD2-CD1 4.08Å; Y492-L495 VanDerWaalsContact O-CB 3.29Å; Y492-L495 WeakPolarHBondContact O-CB 3.41Å; Y492-L495 PolarHBondContact O-N 3.26Å; Y492-L495 VanDerWaalsContact O-N 3.09Å; F493-L495 PolarHBondContact O-N 3.25Å; L495-C499 HydrophobicContact CB-CB 4.05Å; L495-Y527 HydrophobicContact CD1-CD1 4.48Å; L495-Y527 HydrophobicContact CD1-CE1 3.97Å; L495-Y527 HydrophobicContact CG-CE1 4.39Å
496	G	94.6	Very high	96.3	Very high	29 Å²	29	36.4 Å²	36.4	30%	0.299	20%	0.203	S	C	.	.			trans	67.2	-169.8	179.8	0	0	0	0	0	114	F493 R494 E498 C499	F493-G496 PolarHBondContact O-N 2.91Å; F493-G496 VanDerWaalsContact O-N 3.1Å; R494-G496 PolarHBondContact O-N 2.88Å; G496-E498 PolarHBondContact O-N 3.22Å; G496-C499 WeakPolarHBondContact O-CB 3.25Å; G496-C499 PolarHBondContact O-N 2.96Å; G496-C499 VanDerWaalsContact O-N 3.13Å
497	G	95.8	Very high	96.3	Very high	58 Å²	58	37.7 Å²	37.7	60%	0.598	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	-133.5	-178.9	0	0	0	0	0	112.5	C499 V500 S501	G497-C499 PolarHBondContact O-N 2.83Å; G497-C499 VanDerWaalsContact O-N 3.13Å; G497-V500 PolarHBondContact O-N 3.41Å; G497-S501 PolarHBondContact O-N 2.83Å; G497-S501 PolarHBondContact O-OG 3.45Å
498	E	96	Very high	96.4	Very high	129 Å²	129	34.5 Å²	34.5	60%	0.603	20%	0.196	S	C	*	.	H	α-helix	trans	-60.1	-21.8	178.7	-69.3	-58.1	114	0	0	114.4	G496 V500 S501 G502 P503 H520	G496-E498 PolarHBondContact O-N 3.22Å; E498-V500 PolarHBondContact O-N 3Å; E498-S501 VanDerWaalsContact CA-OG 3.25Å; E498-S501 WeakPolarHBondContact CA-OG 3.22Å; E498-S501 VanDerWaalsContact CD-OG 3.28Å; E498-S501 PolarHBondContact OE1-OG 3.27Å; E498-G502 PolarHBondContact O-N 2.86Å; E498-P503 WeakPolarHBondContact O-CD 3.43Å; E498-H520 PolarHBondContact O-CE1 3.44Å
499	C	95.9	Very high	96.4	Very high	23 Å²	23	35 Å²	35	16%	0.155	20%	0.199	C	C	.	.	H	α-helix	trans	-70.3	-12.6	175	-53.9	0	0	0	0	112.5	Y492 F493 L495 G496 G497 P503	Y492-C499 HydrophobicContact CD1-CB 3.84Å; Y492-C499 HydrophobicContact CD2-CB 4.39Å; Y492-C499 HydrophobicContact CE1-CB 3.52Å; Y492-C499 WeakPolarHBondContact CE1-O 3.43Å; Y492-C499 HydrophobicContact CE2-CB 4.1Å; Y492-C499 HydrophobicContact CG-CB 4.26Å; Y492-C499 VanDerWaalsContact CZ-SG 3.55Å; Y492-C499 WeakPolarHBondContact O-CB 3.37Å; F493-C499 WeakPolarHBondContact CD1-O 3.21Å; L495-C499 HydrophobicContact CB-CB 4.05Å; G496-C499 WeakPolarHBondContact O-CB 3.25Å; G496-C499 PolarHBondContact O-N 2.96Å; G496-C499 VanDerWaalsContact O-N 3.13Å; G497-C499 PolarHBondContact O-N 2.83Å; G497-C499 VanDerWaalsContact O-N 3.13Å; C499-P503 WeakPolarHBondContact O-CG 3.31Å
500	V	96	Very high	96.3	Very high	17 Å²	17	37 Å²	37	10%	0.103	21%	0.209	C	C	.	.	H	α-helix	trans	-114.1	-51.1	173.6	179.5	0	0	0	0	111.3	I206 F493 G497 E498 G502 P503 V504	I206-V500 HydrophobicContact CD1-CG1 4.12Å; I206-V500 HydrophobicContact CG2-CG1 4.28Å; F493-V500 HydrophobicContact CB-CG2 4.32Å; F493-V500 WeakPolarHBondContact O-CG2 3.39Å; G497-V500 PolarHBondContact O-N 3.41Å; E498-V500 PolarHBondContact O-N 3Å; V500-G502 VanDerWaalsContact C-N 3.34Å; V500-G502 PolarHBondContact O-N 3.44Å; V500-P503 WeakPolarHBondContact O-CD 3.33Å; V500-V504 WeakPolarHBondContact O-CB 3.48Å; V500-V504 VanDerWaalsContact O-CG1 3.27Å; V500-V504 WeakPolarHBondContact O-CG1 3.45Å; V500-V504 PolarHBondContact O-N 3.36Å
501	S	94.8	Very high	96.3	Very high	49 Å²	49	39.7 Å²	39.7	34%	0.343	23%	0.229	S	C	.	.	H	α-helix	trans	-61.1	-38.8	-176.1	57.5	0	0	0	0	112.8	G497 E498 V504 G505	G497-S501 PolarHBondContact O-N 2.83Å; G497-S501 PolarHBondContact O-OG 3.45Å; E498-S501 VanDerWaalsContact CA-OG 3.25Å; E498-S501 WeakPolarHBondContact CA-OG 3.22Å; E498-S501 VanDerWaalsContact CD-OG 3.28Å; E498-S501 PolarHBondContact OE1-OG 3.27Å; S501-V504 VanDerWaalsContact O-CG1 3.31Å; S501-V504 WeakPolarHBondContact O-CG1 3.45Å; S501-G505 PolarHBondContact O-N 2.92Å; S501-G505 VanDerWaalsContact O-N 3.08Å
502	G	95.6	Very high	96.2	Very high	10 Å²	10	38.4 Å²	38.4	10%	0.103	23%	0.225	C	C	.	.	H	α-helix	trans	-64	-60.7	175.7	0	0	0	0	0	112.3	E498 V500 V504 G505 L506	E498-G502 PolarHBondContact O-N 2.86Å; V500-G502 VanDerWaalsContact C-N 3.34Å; V500-G502 PolarHBondContact O-N 3.44Å; G502-V504 VanDerWaalsContact C-N 3.35Å; G502-V504 PolarHBondContact O-N 3.36Å; G502-G505 PolarHBondContact O-N 3.33Å; G502-G505 VanDerWaalsContact O-N 3.13Å; G502-L506 PolarHBondContact O-N 3.42Å
503	P	96.6	Very high	96.2	Very high	23 Å²	23	43.6 Å²	43.6	15%	0.149	25%	0.248	C	C	.	.	H	α-helix	trans	-58.1	-39	177.2	-29.6	38.4	0	0	0	114.5	Y492 F493 E498 C499 V500 G505 L506 L507 H520	Y492-P503 HydrophobicContact CE1-CG 4.33Å; F493-P503 HydrophobicContact CE1-CB 3.83Å; F493-P503 HydrophobicContact CE1-CG 4.11Å; E498-P503 WeakPolarHBondContact O-CD 3.43Å; C499-P503 WeakPolarHBondContact O-CG 3.31Å; V500-P503 WeakPolarHBondContact O-CD 3.33Å; P503-G505 VanDerWaalsContact C-N 3.3Å; P503-G505 PolarHBondContact O-N 2.88Å; P503-L506 WeakPolarHBondContact O-CB 3.33Å; P503-L506 PolarHBondContact O-N 2.88Å; P503-L506 VanDerWaalsContact O-N 3.13Å; P503-L507 PolarHBondContact O-N 3.49Å; P503-H520 HydrophobicContact CG-CB 4.26Å
504	V	96.3	Very high	96.1	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.024	25%	0.252	C	S	.	.	H	α-helix	trans	-67.2	-33.2	177.3	76.5	0	0	0	0	111.6	I206 Y208 P209 V500 S501 G502 L506 L507 S508	I206-V504 HydrophobicContact CG2-CB 3.98Å; I206-V504 HydrophobicContact CG2-CG2 3.82Å; Y208-V504 HydrophobicContact CD1-CG2 3.72Å; Y208-V504 HydrophobicContact CE1-CG2 4.26Å; P209-V504 HydrophobicContact CG-CG1 4.2Å; V500-V504 WeakPolarHBondContact O-CB 3.48Å; V500-V504 VanDerWaalsContact O-CG1 3.27Å; V500-V504 WeakPolarHBondContact O-CG1 3.45Å; V500-V504 PolarHBondContact O-N 3.36Å; S501-V504 VanDerWaalsContact O-CG1 3.31Å; S501-V504 WeakPolarHBondContact O-CG1 3.45Å; G502-V504 VanDerWaalsContact C-N 3.35Å; G502-V504 PolarHBondContact O-N 3.36Å; V504-L506 VanDerWaalsContact C-N 3.25Å; V504-L506 PolarHBondContact O-N 3.16Å; V504-L507 PolarHBondContact O-N 3.27Å; V504-S508 WeakPolarHBondContact O-CB 3.47Å; V504-S508 PolarHBondContact O-N 3.29Å; V504-S508 PolarHBondContact O-OG 3.05Å
505	G	96.2	Very high	96.2	Very high	4 Å²	4	44 Å²	44	4%	0.041	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-32.3	171.8	0	0	0	0	0	113.4	S501 G502 P503 S508 V509 L510 S511	S501-G505 PolarHBondContact O-N 2.92Å; S501-G505 VanDerWaalsContact O-N 3.08Å; G502-G505 PolarHBondContact O-N 3.33Å; G502-G505 VanDerWaalsContact O-N 3.13Å; P503-G505 VanDerWaalsContact C-N 3.3Å; P503-G505 PolarHBondContact O-N 2.88Å; G505-S508 PolarHBondContact O-OG 3.27Å; G505-V509 PolarHBondContact O-N 3.5Å; G505-L510 PolarHBondContact O-N 3.04Å; G505-S511 PolarHBondContact O-N 3.17Å
506	L	97.3	Very high	96.2	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-76.3	-48.3	174.5	-57.2	171.6	0	0	0	111.7	V463 L467 G502 P503 V504 V509 V516 L517	V463-L506 HydrophobicContact CG1-CB 3.78Å; V463-L506 HydrophobicContact CG1-CD2 3.72Å; V463-L506 HydrophobicContact CG1-CG 4.33Å; V463-L506 HydrophobicContact CG2-CD2 4.13Å; L467-L506 HydrophobicContact CD2-CB 4.08Å; G502-L506 PolarHBondContact O-N 3.42Å; P503-L506 WeakPolarHBondContact O-CB 3.33Å; P503-L506 PolarHBondContact O-N 2.88Å; P503-L506 VanDerWaalsContact O-N 3.13Å; V504-L506 VanDerWaalsContact C-N 3.25Å; V504-L506 PolarHBondContact O-N 3.16Å; L506-V509 PolarHBondContact O-N 3.02Å; L506-V509 VanDerWaalsContact O-N 3.14Å; L506-V516 HydrophobicContact CD1-CG1 4.28Å; L506-V516 HydrophobicContact CD2-CB 4.27Å; L506-V516 HydrophobicContact CD2-CG1 4.2Å; L506-V516 HydrophobicContact CG-CG1 4.34Å; L506-L517 VanDerWaalsContact CD1-CA 3.45Å; L506-L517 HydrophobicContact CD1-CB 3.76Å; L506-L517 HydrophobicContact CD1-CG 4.31Å; L506-L517 HydrophobicContact CD2-CB 4.19Å
507	L	96.4	Very high	96.3	Very high	35 Å²	35	40.7 Å²	40.7	18%	0.183	24%	0.238	C	C	.	.	H	α-helix	trans	-60.7	-45.5	-180	176.9	64.6	0	0	0	111.8	Y193 T415 L467 P503 V504 V509	Y193-L507 HydrophobicContact CD2-CD2 3.93Å; Y193-L507 HydrophobicContact CE2-CD2 3.75Å; Y193-L507 HydrophobicContact CE2-CG 4.47Å; T415-L507 HydrophobicContact CG2-CD1 3.88Å; L467-L507 HydrophobicContact CD2-CB 4.37Å; P503-L507 PolarHBondContact O-N 3.49Å; V504-L507 PolarHBondContact O-N 3.27Å; L507-V509 PolarHBondContact O-N 3.35Å
508	S	96.8	Very high	96.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-12.3	178.1	62.2	0	0	0	0	113.6	G168 V504 G505 L510	G168-S508 WeakPolarHBondContact CA-O 3.49Å; G168-S508 PolarHBondContact N-O 2.85Å; V504-S508 WeakPolarHBondContact O-CB 3.47Å; V504-S508 PolarHBondContact O-N 3.29Å; V504-S508 PolarHBondContact O-OG 3.05Å; G505-S508 PolarHBondContact O-OG 3.27Å; S508-L510 PolarHBondContact O-N 2.89Å; S508-L510 WeakPolarHBondContact OG-CD1 3.37Å; S508-L510 WeakPolarHBondContact OG-CG 3.46Å; S508-L510 PolarHBondContact OG-N 3.22Å
509	V	97.4	Very high	96.5	Very high	10 Å²	10	35.7 Å²	35.7	6%	0.061	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	21.3	-174.4	-155	0	0	0	0	112.8	Q166 H460 V464 G505 L506 L507 P512	Q166-V509 HydrophobicContact CB-CG2 4.47Å; H460-V509 HydrophobicContact CB-CG1 3.9Å; V464-V509 HydrophobicContact CG2-CB 4.44Å; V464-V509 HydrophobicContact CG2-CG1 3.91Å; V464-V509 HydrophobicContact CG2-CG2 3.58Å; G505-V509 PolarHBondContact O-N 3.5Å; L506-V509 PolarHBondContact O-N 3.02Å; L506-V509 VanDerWaalsContact O-N 3.14Å; L507-V509 PolarHBondContact O-N 3.35Å; V509-P512 HydrophobicContact CG1-CB 4.17Å; V509-P512 HydrophobicContact CG1-CG 4.35Å
510	L	96.3	Very high	96.6	Very high	47 Å²	47	36 Å²	36	25%	0.246	21%	0.211	C	C	.	.	S	Bend	trans	-78.7	-35.8	174.7	-69.1	171.1	0	0	0	111.8	P167 N171 P209 A217 G505 S508 P512	P167-L510 HydrophobicContact CB-CD1 3.89Å; P167-L510 HydrophobicContact CB-CD2 3.94Å; P167-L510 HydrophobicContact CB-CG 3.93Å; N171-L510 WeakPolarHBondContact ND2-CD2 3.4Å; P209-L510 HydrophobicContact CB-CD1 4.43Å; P209-L510 HydrophobicContact CG-CD1 3.94Å; A217-L510 HydrophobicContact CB-CD1 3.59Å; A217-L510 HydrophobicContact CB-CD2 4.41Å; G505-L510 PolarHBondContact O-N 3.04Å; S508-L510 PolarHBondContact O-N 2.89Å; S508-L510 WeakPolarHBondContact OG-CD1 3.37Å; S508-L510 WeakPolarHBondContact OG-CG 3.46Å; S508-L510 PolarHBondContact OG-N 3.22Å; L510-P512 VanDerWaalsContact C-CD 3.46Å
511	S	95.2	Very high	96.7	Very high	59 Å²	59	37.1 Å²	37.1	41%	0.413	21%	0.214	S	C	.	.	S	Bend	trans	-127.7	66	178.1	-71.9	0	0	0	0	110.9	G505 K513	G505-S511 PolarHBondContact O-N 3.17Å; S511-K513 PolarHBondContact O-N 3.32Å
512	P	96.2	Very high	96.8	Very high	30 Å²	30	37.3 Å²	37.3	20%	0.195	21%	0.209	C	C	.	.			trans	-76.1	71.5	-175.1	33.5	-36.3	0	0	0	111.6	S459 H460 V463 V509 L510 P514	S459-P512 WeakPolarHBondContact CA-O 3.44Å; H460-P512 HydrophobicContact CB-CB 4.43Å; V463-P512 HydrophobicContact CB-CB 4.01Å; V463-P512 HydrophobicContact CG1-CB 4.32Å; V463-P512 VanDerWaalsContact CG2-C 3.45Å; V463-P512 HydrophobicContact CG2-CB 4.1Å; V509-P512 HydrophobicContact CG1-CB 4.17Å; V509-P512 HydrophobicContact CG1-CG 4.35Å; L510-P512 VanDerWaalsContact C-CD 3.46Å; P512-P514 WeakPolarHBondContact O-CD 3.48Å
513	K	96.8	Very high	96.9	Very high	130 Å²	130	38.4 Å²	38.4	57%	0.565	22%	0.217	S	C	*	.			trans	-99.3	113.5	179.7	-66.4	178.2	-177.8	173.8	0	110.7	S511 M515 V516 L517	S511-K513 PolarHBondContact O-N 3.32Å; K513-M515 VanDerWaalsContact C-N 3.31Å; K513-M515 PolarHBondContact O-N 3.37Å; K513-V516 HydrophobicContact CB-CB 4.05Å; K513-V516 HydrophobicContact CB-CG2 3.71Å; K513-V516 HydrophobicContact CD-CG2 4.1Å; K513-V516 WeakPolarHBondContact O-CB 3.26Å; K513-V516 PolarHBondContact O-N 3.4Å; K513-V516 VanDerWaalsContact O-N 3.1Å; K513-L517 PolarHBondContact O-N 2.74Å
514	P	96.4	Very high	97	Very high	26 Å²	26	38 Å²	38	17%	0.169	21%	0.214	C	C	.	.	H	α-helix	trans	-52.7	-41.7	-179.4	-32.8	38.4	0	0	0	115	K458 F462 P512 V516 L517 I518	K458-P514 WeakPolarHBondContact O-CD 3Å; F462-P514 HydrophobicContact CB-CG 4.22Å; F462-P514 HydrophobicContact CD1-CB 3.56Å; F462-P514 HydrophobicContact CD1-CG 3.83Å; F462-P514 HydrophobicContact CE1-CB 3.6Å; F462-P514 HydrophobicContact CE1-CG 4.37Å; F462-P514 HydrophobicContact CG-CB 4.1Å; F462-P514 HydrophobicContact CG-CG 4.02Å; F462-P514 HydrophobicContact CZ-CB 4.13Å; P512-P514 WeakPolarHBondContact O-CD 3.48Å; P514-V516 VanDerWaalsContact C-N 3.33Å; P514-V516 PolarHBondContact O-N 3.42Å; P514-L517 WeakPolarHBondContact O-CB 3.5Å; P514-L517 PolarHBondContact O-N 3.32Å; P514-I518 WeakPolarHBondContact O-CG1 3.39Å; P514-I518 PolarHBondContact O-N 2.84Å
515	M	96.8	Very high	97	Very high	142 Å²	142	37.8 Å²	37.8	70%	0.7	21%	0.212	S	C	*	.	H	α-helix	trans	-68.8	-31.5	-178.6	-65	-54.4	-63.4	0	0	113.1	K513 I518 G519	K513-M515 VanDerWaalsContact C-N 3.31Å; K513-M515 PolarHBondContact O-N 3.37Å; M515-I518 PolarHBondContact O-N 3.14Å; M515-I518 HydrophobicContact SD-CD1 4.34Å; M515-G519 PolarHBondContact O-N 2.9Å
516	V	97.1	Very high	97.1	Very high	49 Å²	49	42.7 Å²	42.7	30%	0.297	24%	0.237	S	C	.	.	H	α-helix	trans	-67.2	-42.5	175.1	175.2	0	0	0	0	109.6	L506 K513 P514 G519 H520	L506-V516 HydrophobicContact CD1-CG1 4.28Å; L506-V516 HydrophobicContact CD2-CB 4.27Å; L506-V516 HydrophobicContact CD2-CG1 4.2Å; L506-V516 HydrophobicContact CG-CG1 4.34Å; K513-V516 HydrophobicContact CB-CB 4.05Å; K513-V516 HydrophobicContact CB-CG2 3.71Å; K513-V516 HydrophobicContact CD-CG2 4.1Å; K513-V516 WeakPolarHBondContact O-CB 3.26Å; K513-V516 PolarHBondContact O-N 3.4Å; K513-V516 VanDerWaalsContact O-N 3.1Å; P514-V516 VanDerWaalsContact C-N 3.33Å; P514-V516 PolarHBondContact O-N 3.42Å; V516-G519 PolarHBondContact O-N 3.38Å; V516-H520 PolarHBondContact O-CD2 2.93Å; V516-H520 PolarHBondContact O-N 2.97Å
517	L	97.4	Very high	97.1	Very high	6 Å²	6	45 Å²	45	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-58.2	-51.2	173.8	-178.5	154.4	0	0	0	112	F462 V463 V466 L467 L506 K513 P514 G519 H520 F521 I559	F462-L517 HydrophobicContact CE1-CD2 4.45Å; V463-L517 HydrophobicContact CB-CD1 4.38Å; V463-L517 HydrophobicContact CG1-CD1 4.18Å; V463-L517 HydrophobicContact CG2-CD1 4.44Å; V466-L517 HydrophobicContact CB-CD1 4.27Å; V466-L517 HydrophobicContact CB-CD2 4.47Å; V466-L517 HydrophobicContact CG1-CD1 4.38Å; V466-L517 HydrophobicContact CG1-CD2 3.79Å; L467-L517 HydrophobicContact CB-CD1 3.8Å; L467-L517 HydrophobicContact CD1-CD1 4.42Å; L506-L517 VanDerWaalsContact CD1-CA 3.45Å; L506-L517 HydrophobicContact CD1-CB 3.76Å; L506-L517 HydrophobicContact CD1-CG 4.31Å; L506-L517 HydrophobicContact CD2-CB 4.19Å; K513-L517 PolarHBondContact O-N 2.74Å; P514-L517 WeakPolarHBondContact O-CB 3.5Å; P514-L517 PolarHBondContact O-N 3.32Å; L517-G519 VanDerWaalsContact C-N 3.31Å; L517-G519 PolarHBondContact O-N 2.71Å; L517-H520 PolarHBondContact O-N 3.12Å; L517-F521 VanDerWaalsContact O-CB 3.28Å; L517-F521 WeakPolarHBondContact O-CB 3.37Å; L517-F521 PolarHBondContact O-N 3.45Å; L517-I559 HydrophobicContact CD2-CD1 4.13Å
518	I	96.8	Very high	97.1	Very high	40 Å²	40	43.3 Å²	43.3	21%	0.205	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-43.9	-179.3	-65.9	169.9	0	0	0	110	F462 P514 M515 F521 F522 I563	F462-I518 HydrophobicContact CZ-CD1 4.19Å; P514-I518 WeakPolarHBondContact O-CG1 3.39Å; P514-I518 PolarHBondContact O-N 2.84Å; M515-I518 PolarHBondContact O-N 3.14Å; M515-I518 HydrophobicContact SD-CD1 4.34Å; I518-F521 PolarHBondContact O-N 2.88Å; I518-F522 HydrophobicContact CG2-CD2 3.79Å; I518-F522 HydrophobicContact CG2-CE2 3.97Å; I518-F522 WeakPolarHBondContact O-CD2 3.38Å; I518-F522 PolarHBondContact O-N 2.73Å; I518-I563 HydrophobicContact CD1-CD1 4.03Å; I518-I563 HydrophobicContact CG1-CD1 4.1Å
519	G	97.8	Very high	97.2	Very high	43 Å²	43	44.4 Å²	44.4	44%	0.443	24%	0.244	S	C	.	.	H	α-helix	trans	-58.1	-53.9	178.1	0	0	0	0	0	112.8	M515 V516 L517 F521 F522 A523	M515-G519 PolarHBondContact O-N 2.9Å; V516-G519 PolarHBondContact O-N 3.38Å; L517-G519 VanDerWaalsContact C-N 3.31Å; L517-G519 PolarHBondContact O-N 2.71Å; G519-F521 PolarHBondContact O-N 3.42Å; G519-F522 PolarHBondContact O-N 2.87Å; G519-A523 WeakPolarHBondContact O-CB 3.38Å; G519-A523 PolarHBondContact O-N 3.47Å
520	H	98.1	Very high	97.2	Very high	30 Å²	30	49.4 Å²	49.4	14%	0.139	26%	0.263	C	S	.	.	H	α-helix	trans	-65.9	-36.8	179	-73.6	-67.4	0	0	0	112.8	Y492 E498 P503 V516 L517 F522 A523 V524	Y492-H520 AromaticContact CE1-ND1 3.77Å; Y492-H520 AromaticContact CZ-ND1 3.72Å; Y492-H520 PolarHBondContact OH-ND1 3.43Å; E498-H520 PolarHBondContact O-CE1 3.44Å; P503-H520 HydrophobicContact CG-CB 4.26Å; V516-H520 PolarHBondContact O-CD2 2.93Å; V516-H520 PolarHBondContact O-N 2.97Å; L517-H520 PolarHBondContact O-N 3.12Å; H520-F522 PolarHBondContact O-N 2.88Å; H520-A523 PolarHBondContact O-N 3.43Å; H520-V524 WeakPolarHBondContact O-CG2 3.4Å; H520-V524 PolarHBondContact O-N 3.43Å
521	F	97.8	Very high	97.1	Very high	40 Å²	40	49.5 Å²	49.5	18%	0.175	26%	0.261	C	S	.	.	H	α-helix	trans	-59.4	-48.5	176.4	-178.4	-90.1	0	0	0	111.5	A470 L517 I518 G519 V524 A525 S555 I558 I559	A470-F521 HydrophobicContact CB-CD2 4.32Å; A470-F521 HydrophobicContact CB-CE2 3.99Å; L517-F521 VanDerWaalsContact O-CB 3.28Å; L517-F521 WeakPolarHBondContact O-CB 3.37Å; L517-F521 PolarHBondContact O-N 3.45Å; I518-F521 PolarHBondContact O-N 2.88Å; G519-F521 PolarHBondContact O-N 3.42Å; F521-V524 PolarHBondContact O-N 3.24Å; F521-A525 PolarHBondContact O-N 2.92Å; F521-A525 VanDerWaalsContact O-N 3.09Å; F521-S555 WeakPolarHBondContact CE1-O 3.39Å; F521-I558 HydrophobicContact CZ-CG2 4.48Å; F521-I559 HydrophobicContact CD1-CB 3.94Å; F521-I559 HydrophobicContact CD1-CD1 4.18Å; F521-I559 HydrophobicContact CD1-CG1 3.94Å; F521-I559 HydrophobicContact CD1-CG2 4.07Å; F521-I559 HydrophobicContact CD2-CD1 3.97Å; F521-I559 HydrophobicContact CE1-CB 3.52Å; F521-I559 HydrophobicContact CE1-CD1 4.35Å; F521-I559 HydrophobicContact CE1-CG1 4.04Å; F521-I559 HydrophobicContact CE1-CG2 3.66Å; F521-I559 HydrophobicContact CE2-CB 4.47Å; F521-I559 HydrophobicContact CE2-CD1 4.15Å; F521-I559 HydrophobicContact CG-CD1 3.99Å; F521-I559 HydrophobicContact CG-CG1 4.24Å; F521-I559 HydrophobicContact CZ-CB 3.82Å; F521-I559 HydrophobicContact CZ-CD1 4.34Å; F521-I559 HydrophobicContact CZ-CG1 4.42Å; F521-I559 HydrophobicContact CZ-CG2 4.38Å
522	F	97.4	Very high	97.1	Very high	53 Å²	53	46.9 Å²	46.9	23%	0.232	24%	0.243	C	C	.	.	H	α-helix	trans	-73.3	-27.6	177.3	-79.3	-71	0	0	0	113.2	I518 G519 H520 V524 A525 L526 I559 F560	I518-F522 HydrophobicContact CG2-CD2 3.79Å; I518-F522 HydrophobicContact CG2-CE2 3.97Å; I518-F522 WeakPolarHBondContact O-CD2 3.38Å; I518-F522 PolarHBondContact O-N 2.73Å; G519-F522 PolarHBondContact O-N 2.87Å; H520-F522 PolarHBondContact O-N 2.88Å; F522-V524 VanDerWaalsContact C-N 3.35Å; F522-A525 PolarHBondContact O-N 2.89Å; F522-L526 WeakPolarHBondContact O-CB 3.48Å; F522-L526 WeakPolarHBondContact O-CG 3.43Å; F522-L526 PolarHBondContact O-N 3.34Å; F522-I559 HydrophobicContact CE2-CG2 4.13Å; F522-I559 HydrophobicContact CZ-CG2 3.84Å; F522-F560 HydrophobicContact CE2-CE1 4.34Å; F522-F560 AromaticContact CZ-CE1 3.83Å; F522-F560 HydrophobicContact CZ-CE1 3.83Å; F522-F560 HydrophobicContact CZ-CZ 4.32Å
523	A	98.1	Very high	97.1	Very high	32 Å²	32	48.5 Å²	48.5	26%	0.264	25%	0.247	S	C	.	.	H	α-helix	trans	-61.6	-43.7	171.1	0	0	0	0	0	111.4	Y492 G519 H520 L526 Y527	Y492-A523 HydrophobicContact CE2-CB 3.9Å; G519-A523 WeakPolarHBondContact O-CB 3.38Å; G519-A523 PolarHBondContact O-N 3.47Å; H520-A523 PolarHBondContact O-N 3.43Å; A523-L526 PolarHBondContact O-N 3.48Å; A523-Y527 WeakPolarHBondContact O-CB 3.33Å; A523-Y527 PolarHBondContact O-N 3.26Å
524	V	98	Very high	97	Very high	14 Å²	14	48.6 Å²	48.6	9%	0.085	25%	0.247	C	C	.	.	H	α-helix	trans	-62.5	-42.7	173	171.3	0	0	0	0	111.2	A488 C489 Y492 H520 F521 F522 L526 Y527 A528	A488-V524 HydrophobicContact CB-CG1 4.35Å; C489-V524 HydrophobicContact CB-CG1 3.8Å; Y492-V524 HydrophobicContact CD1-CG2 3.76Å; Y492-V524 HydrophobicContact CD2-CG2 4.16Å; Y492-V524 HydrophobicContact CE1-CG2 4.26Å; Y492-V524 HydrophobicContact CG-CG2 3.69Å; H520-V524 WeakPolarHBondContact O-CG2 3.4Å; H520-V524 PolarHBondContact O-N 3.43Å; F521-V524 PolarHBondContact O-N 3.24Å; F522-V524 VanDerWaalsContact C-N 3.35Å; V524-L526 PolarHBondContact O-N 3.23Å; V524-Y527 PolarHBondContact O-N 3.47Å; V524-Y527 VanDerWaalsContact O-N 3.17Å; V524-A528 PolarHBondContact O-N 3.44Å
525	A	97.1	Very high	96.8	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.8	-43.9	177.6	0	0	0	0	0	112.7	L485 F521 F522 Y527 A528 V529 S555	L485-A525 HydrophobicContact CD2-CB 4.06Å; F521-A525 PolarHBondContact O-N 2.92Å; F521-A525 VanDerWaalsContact O-N 3.09Å; F522-A525 PolarHBondContact O-N 2.89Å; A525-Y527 VanDerWaalsContact C-N 3.3Å; A525-Y527 PolarHBondContact O-N 3.37Å; A525-A528 WeakPolarHBondContact O-CB 3.25Å; A525-A528 PolarHBondContact O-N 3.46Å; A525-V529 WeakPolarHBondContact O-CG2 3.41Å; A525-V529 PolarHBondContact O-N 2.99Å; A525-S555 WeakPolarHBondContact CB-OG 3.29Å
526	L	97.8	Very high	96.6	Very high	107 Å²	107	47.3 Å²	47.3	56%	0.56	25%	0.248	S	C	*	.	H	α-helix	trans	-68.1	-31.7	174.8	-68.7	173.7	0	0	0	112	F522 A523 V524 V529 Y530 L552	F522-L526 WeakPolarHBondContact O-CB 3.48Å; F522-L526 WeakPolarHBondContact O-CG 3.43Å; F522-L526 PolarHBondContact O-N 3.34Å; A523-L526 PolarHBondContact O-N 3.48Å; V524-L526 PolarHBondContact O-N 3.23Å; L526-V529 WeakPolarHBondContact O-CB 3.31Å; L526-V529 PolarHBondContact O-N 3.38Å; L526-Y530 PolarHBondContact O-N 3.47Å; L526-L552 HydrophobicContact CD2-CD2 4.32Å
527	Y	98	Very high	96.5	Very high	51 Å²	51	48 Å²	48	20%	0.2	26%	0.255	C	S	.	.	H	α-helix	trans	-69.7	-35.8	174.6	-165	-145.9	0	0	0	112.1	H491 Y492 L495 A523 V524 A525 Y530 F531	H491-Y527 HydrophobicContact CB-CE1 3.87Å; Y492-Y527 HydrophobicContact CD2-CD1 4.17Å; L495-Y527 HydrophobicContact CD1-CD1 4.48Å; L495-Y527 HydrophobicContact CD1-CE1 3.97Å; L495-Y527 HydrophobicContact CG-CE1 4.39Å; A523-Y527 WeakPolarHBondContact O-CB 3.33Å; A523-Y527 PolarHBondContact O-N 3.26Å; V524-Y527 PolarHBondContact O-N 3.47Å; V524-Y527 VanDerWaalsContact O-N 3.17Å; A525-Y527 VanDerWaalsContact C-N 3.3Å; A525-Y527 PolarHBondContact O-N 3.37Å; Y527-Y530 AromaticContact CD2-CD1 3.83Å; Y527-Y530 HydrophobicContact CD2-CD1 3.83Å; Y527-Y530 HydrophobicContact CD2-CG 4.4Å; Y527-Y530 AromaticContact CE2-CD1 3.69Å; Y527-Y530 HydrophobicContact CE2-CD1 3.69Å; Y527-Y530 HydrophobicContact CE2-CE1 4.05Å; Y527-Y530 WeakPolarHBondContact O-CB 3.27Å; Y527-Y530 PolarHBondContact O-N 3.34Å; Y527-F531 AromaticContact CD1-CE2 3.91Å; Y527-F531 HydrophobicContact CD1-CE2 3.91Å; Y527-F531 HydrophobicContact CD2-CD2 4.4Å; Y527-F531 HydrophobicContact CD2-CE2 4.06Å; Y527-F531 AromaticContact CE1-CE2 3.55Å; Y527-F531 HydrophobicContact CE1-CE2 3.55Å; Y527-F531 HydrophobicContact CE1-CZ 4.14Å; Y527-F531 HydrophobicContact CE2-CD2 4.39Å; Y527-F531 AromaticContact CE2-CE2 3.69Å; Y527-F531 HydrophobicContact CE2-CE2 3.69Å; Y527-F531 HydrophobicContact CE2-CZ 4.05Å; Y527-F531 HydrophobicContact CG-CD2 4.46Å; Y527-F531 HydrophobicContact CG-CE2 4.15Å; Y527-F531 AromaticContact CZ-CE2 3.42Å; Y527-F531 VanDerWaalsContact CZ-CE2 3.42Å; Y527-F531 AromaticContact CZ-CZ 3.67Å; Y527-F531 VanDerWaalsContact O-CD2 3.22Å; Y527-F531 WeakPolarHBondContact O-CD2 3.25Å; Y527-F531 PolarHBondContact O-N 3.38Å
528	A	97.1	Very high	96.2	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-44.6	169.3	0	0	0	0	0	111.6	L485 A488 V524 A525 Y530 F531 C532 V551	L485-A528 HydrophobicContact CD2-CB 3.79Å; L485-A528 HydrophobicContact CG-CB 4.35Å; A488-A528 HydrophobicContact CB-CB 3.57Å; V524-A528 PolarHBondContact O-N 3.44Å; A525-A528 WeakPolarHBondContact O-CB 3.25Å; A525-A528 PolarHBondContact O-N 3.46Å; A528-Y530 VanDerWaalsContact C-N 3.31Å; A528-Y530 PolarHBondContact O-N 3.48Å; A528-F531 CarbonylContact O-C 3.6Å; A528-F531 WeakPolarHBondContact O-CA 3.17Å; A528-F531 WeakPolarHBondContact O-CB 3.23Å; A528-F531 PolarHBondContact O-N 2.95Å; A528-C532 PolarHBondContact O-N 2.98Å; A528-C532 PolarHBondContact O-SG 2.68Å; A528-V551 HydrophobicContact CB-CG1 3.73Å
529	V	97.3	Very high	96.1	Very high	22 Å²	22	63.7 Å²	63.7	13%	0.133	32%	0.321	C	S	.	.	H	α-helix	trans	-56.4	-45	173.1	166.9	0	0	0	0	111.2	A525 L526 F531 C532 F533 V551 L552	A525-V529 WeakPolarHBondContact O-CG2 3.41Å; A525-V529 PolarHBondContact O-N 2.99Å; L526-V529 WeakPolarHBondContact O-CB 3.31Å; L526-V529 PolarHBondContact O-N 3.38Å; V529-F531 VanDerWaalsContact C-N 3.29Å; V529-F531 PolarHBondContact O-N 2.94Å; V529-C532 VanDerWaalsContact O-CB 3.31Å; V529-C532 WeakPolarHBondContact O-CB 3.3Å; V529-C532 PolarHBondContact O-N 2.87Å; V529-C532 VanDerWaalsContact O-N 3.13Å; V529-F533 HydrophobicContact CG1-CD2 4.17Å; V529-F533 HydrophobicContact CG1-CE2 4.06Å; V529-F533 WeakPolarHBondContact O-CD2 3.44Å; V529-F533 PolarHBondContact O-N 2.8Å; V529-F533 VanDerWaalsContact O-N 3.17Å; V529-V551 HydrophobicContact CG2-CG1 4.19Å; V529-L552 HydrophobicContact CG2-CD1 4.23Å; V529-L552 HydrophobicContact CG2-CD2 4.01Å; V529-L552 HydrophobicContact CG2-CG 3.79Å
530	Y	97.2	Very high	95.9	Very high	116 Å²	116	63.3 Å²	63.3	46%	0.455	31%	0.31	S	S	.	.	H	α-helix	trans	-55.6	-44.1	173.6	163.8	-96.1	0	0	0	111.9	L526 Y527 A528 F533 K534	L526-Y530 PolarHBondContact O-N 3.47Å; Y527-Y530 AromaticContact CD2-CD1 3.83Å; Y527-Y530 HydrophobicContact CD2-CD1 3.83Å; Y527-Y530 HydrophobicContact CD2-CG 4.4Å; Y527-Y530 AromaticContact CE2-CD1 3.69Å; Y527-Y530 HydrophobicContact CE2-CD1 3.69Å; Y527-Y530 HydrophobicContact CE2-CE1 4.05Å; Y527-Y530 WeakPolarHBondContact O-CB 3.27Å; Y527-Y530 PolarHBondContact O-N 3.34Å; A528-Y530 VanDerWaalsContact C-N 3.31Å; A528-Y530 PolarHBondContact O-N 3.48Å; Y530-F533 PolarHBondContact O-N 2.88Å; Y530-K534 HydrophobicContact CE1-CB 4.47Å; Y530-K534 HydrophobicContact CE1-CD 3.8Å; Y530-K534 WeakPolarHBondContact O-CB 3.33Å; Y530-K534 PolarHBondContact O-N 3.33Å
531	F	95.5	Very high	95.6	Very high	49 Å²	49	64.1 Å²	64.1	22%	0.215	31%	0.313	C	S	.	.	H	α-helix	trans	-65.5	-37.3	175.8	-78	-65.6	0	0	0	113	A488 H491 Y527 A528 V529 F533 K534 S535	A488-F531 HydrophobicContact CB-CD2 4.38Å; H491-F531 HydrophobicContact CB-CE2 4.12Å; H491-F531 HydrophobicContact CB-CZ 4.19Å; Y527-F531 AromaticContact CD1-CE2 3.91Å; Y527-F531 HydrophobicContact CD1-CE2 3.91Å; Y527-F531 HydrophobicContact CD2-CD2 4.4Å; Y527-F531 HydrophobicContact CD2-CE2 4.06Å; Y527-F531 AromaticContact CE1-CE2 3.55Å; Y527-F531 HydrophobicContact CE1-CE2 3.55Å; Y527-F531 HydrophobicContact CE1-CZ 4.14Å; Y527-F531 HydrophobicContact CE2-CD2 4.39Å; Y527-F531 AromaticContact CE2-CE2 3.69Å; Y527-F531 HydrophobicContact CE2-CE2 3.69Å; Y527-F531 HydrophobicContact CE2-CZ 4.05Å; Y527-F531 HydrophobicContact CG-CD2 4.46Å; Y527-F531 HydrophobicContact CG-CE2 4.15Å; Y527-F531 AromaticContact CZ-CE2 3.42Å; Y527-F531 VanDerWaalsContact CZ-CE2 3.42Å; Y527-F531 AromaticContact CZ-CZ 3.67Å; Y527-F531 VanDerWaalsContact O-CD2 3.22Å; Y527-F531 WeakPolarHBondContact O-CD2 3.25Å; Y527-F531 PolarHBondContact O-N 3.38Å; A528-F531 CarbonylContact O-C 3.6Å; A528-F531 WeakPolarHBondContact O-CA 3.17Å; A528-F531 WeakPolarHBondContact O-CB 3.23Å; A528-F531 PolarHBondContact O-N 2.95Å; V529-F531 VanDerWaalsContact C-N 3.29Å; V529-F531 PolarHBondContact O-N 2.94Å; F531-F533 VanDerWaalsContact C-N 3.26Å; F531-F533 PolarHBondContact O-N 2.81Å; F531-K534 HydrophobicContact CD1-CD 4.17Å; F531-K534 HydrophobicContact CE1-CD 4.26Å; F531-K534 PolarHBondContact O-N 3.45Å; F531-K534 VanDerWaalsContact O-N 3.07Å; F531-S535 PolarHBondContact O-N 3Å; F531-S535 PolarHBondContact O-OG 3.48Å
532	C	94.6	Very high	95.4	Very high	4 Å²	4	66.9 Å²	66.9	3%	0.027	34%	0.336	C	S	.	.	H	α-helix	trans	-54.2	-45	172.8	-57.7	0	0	0	0	111.1	Q484 A528 V529 E536	Q484-C532 PolarHBondContact OE1-SG 2.83Å; A528-C532 PolarHBondContact O-N 2.98Å; A528-C532 PolarHBondContact O-SG 2.68Å; V529-C532 VanDerWaalsContact O-CB 3.31Å; V529-C532 WeakPolarHBondContact O-CB 3.3Å; V529-C532 PolarHBondContact O-N 2.87Å; V529-C532 VanDerWaalsContact O-N 3.13Å; C532-E536 WeakPolarHBondContact O-CB 3.23Å; C532-E536 PolarHBondContact O-N 3.34Å
533	F	95.5	Very high	95.2	Very high	64 Å²	64	72.1 Å²	72.1	28%	0.281	35%	0.354	S	S	.	.	H	α-helix	trans	-72.2	-36.4	175.4	-77.6	-83.9	0	0	0	112.8	V529 Y530 F531 K541 A544 F545 S548	V529-F533 HydrophobicContact CG1-CD2 4.17Å; V529-F533 HydrophobicContact CG1-CE2 4.06Å; V529-F533 WeakPolarHBondContact O-CD2 3.44Å; V529-F533 PolarHBondContact O-N 2.8Å; V529-F533 VanDerWaalsContact O-N 3.17Å; Y530-F533 PolarHBondContact O-N 2.88Å; F531-F533 VanDerWaalsContact C-N 3.26Å; F531-F533 PolarHBondContact O-N 2.81Å; F533-K541 WeakPolarHBondContact O-CE 3.16Å; F533-K541 PolarHBondContact O-NZ 3.39Å; F533-A544 HydrophobicContact CD1-CB 3.64Å; F533-A544 HydrophobicContact CD2-CB 4.5Å; F533-A544 HydrophobicContact CE1-CB 3.83Å; F533-A544 HydrophobicContact CG-CB 4Å; F533-A544 HydrophobicContact CZ-CB 4.34Å; F533-F545 HydrophobicContact CE1-CD1 4.3Å; F533-F545 HydrophobicContact CE1-CD2 4.14Å; F533-F545 HydrophobicContact CE1-CE1 4.06Å; F533-F545 AromaticContact CE1-CE2 3.9Å; F533-F545 HydrophobicContact CE1-CE2 3.9Å; F533-F545 HydrophobicContact CE1-CG 4.34Å; F533-F545 AromaticContact CE1-CZ 3.85Å; F533-F545 HydrophobicContact CE1-CZ 3.85Å; F533-F545 AromaticContact CZ-CD1 3.75Å; F533-F545 HydrophobicContact CZ-CD1 3.75Å; F533-F545 HydrophobicContact CZ-CD2 4.33Å; F533-F545 AromaticContact CZ-CE1 3.73Å; F533-F545 HydrophobicContact CZ-CE1 3.73Å; F533-F545 HydrophobicContact CZ-CE2 4.32Å; F533-F545 HydrophobicContact CZ-CG 4.06Å; F533-F545 HydrophobicContact CZ-CZ 4.03Å; F533-S548 WeakPolarHBondContact CE2-OG 3.22Å
534	K	94.8	Very high	95	Very high	132 Å²	132	70.6 Å²	70.6	57%	0.574	34%	0.341	S	S	*	.	H	α-helix	trans	-69.3	-42.9	-177.6	-174	-177.8	-178	175.3	0	112.6	Y530 F531	Y530-K534 HydrophobicContact CE1-CB 4.47Å; Y530-K534 HydrophobicContact CE1-CD 3.8Å; Y530-K534 WeakPolarHBondContact O-CB 3.33Å; Y530-K534 PolarHBondContact O-N 3.33Å; F531-K534 HydrophobicContact CD1-CD 4.17Å; F531-K534 HydrophobicContact CE1-CD 4.26Å; F531-K534 PolarHBondContact O-N 3.45Å; F531-K534 VanDerWaalsContact O-N 3.07Å
535	S	92.2	Very high	94.8	Very high	97 Å²	97	76.6 Å²	76.6	68%	0.678	37%	0.366	S	S	*	.	H	α-helix	trans	-82.7	-21.2	-174.9	63.2	0	0	0	0	113.7	F531 S537	F531-S535 PolarHBondContact O-N 3Å; F531-S535 PolarHBondContact O-OG 3.48Å; S535-S537 PolarHBondContact O-N 3.21Å
536	E	93.9	Very high	94.7	Very high	43 Å²	43	83.1 Å²	83.1	20%	0.201	40%	0.4	C	S	.	.	S	Bend	trans	-70.5	131.7	-178.4	-164.7	67.1	-142.1	0	0	111.4	C532 T540 K541 R543 A544	C532-E536 WeakPolarHBondContact O-CB 3.23Å; C532-E536 PolarHBondContact O-N 3.34Å; E536-T540 WeakPolarHBondContact CG-O 3.39Å; E536-T540 VanDerWaalsContact OE1-CB 3.28Å; E536-T540 WeakPolarHBondContact OE1-CB 3.3Å; E536-T540 PolarHBondContact OE1-OG1 3.47Å; E536-K541 PolarHBondContact O-NZ 3.23Å; E536-R543 HydrophobicContact CG-CB 4.45Å; E536-A544 HydrophobicContact CB-CB 3.98Å; E536-A544 HydrophobicContact CG-CB 4.15Å
537	S	93.6	Very high	94.5	Very high	63 Å²	63	79.2 Å²	79.2	44%	0.441	38%	0.382	S	S	.	.			trans	-58.5	147.2	174.6	180	0	0	0	0	111.5	S535 I539 T540 K541	S535-S537 PolarHBondContact O-N 3.21Å; S537-I539 PolarHBondContact O-N 3.21Å; S537-T540 CarbonylContact O-C 3.55Å; S537-T540 PolarHBondContact O-N 3.41Å; S537-T540 VanDerWaalsContact O-N 3.09Å; S537-K541 PolarHBondContact O-N 2.77Å
538	W	92.3	Very high	94.3	Very high	222 Å²	222	77.2 Å²	77.2	84%	0.841	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-57.7	-32.4	177.6	-70.7	101.7	0	0	0	112.9	T540 K541	W538-T540 VanDerWaalsContact C-N 3.3Å; W538-T540 PolarHBondContact O-N 3.37Å; W538-K541 HydrophobicContact CE3-CD 4.31Å
539	I	93.8	Very high	94.3	Very high	155 Å²	155	79.2 Å²	79.2	80%	0.795	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-68.6	-32.2	-179.8	-58.6	166.3	0	0	0	111.3	S537	S537-I539 PolarHBondContact O-N 3.21Å
540	T	94.4	Very high	94.2	Very high	34 Å²	34	79.9 Å²	79.9	21%	0.209	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-112.8	19.6	-176.4	52.5	0	0	0	0	112.7	E536 S537 W538 P542 R543	E536-T540 WeakPolarHBondContact CG-O 3.39Å; E536-T540 VanDerWaalsContact OE1-CB 3.28Å; E536-T540 WeakPolarHBondContact OE1-CB 3.3Å; E536-T540 PolarHBondContact OE1-OG1 3.47Å; S537-T540 CarbonylContact O-C 3.55Å; S537-T540 PolarHBondContact O-N 3.41Å; S537-T540 VanDerWaalsContact O-N 3.09Å; W538-T540 VanDerWaalsContact C-N 3.3Å; W538-T540 PolarHBondContact O-N 3.37Å; T540-P542 VanDerWaalsContact C-N 3.26Å; T540-R543 VanDerWaalsContact O-CB 3.22Å; T540-R543 WeakPolarHBondContact O-CB 3.29Å; T540-R543 WeakPolarHBondContact O-CG 3.11Å; T540-R543 PolarHBondContact O-N 2.83Å
541	K	91.1	Very high	94.2	Very high	47 Å²	47	74.4 Å²	74.4	20%	0.204	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-36.7	-176.7	-144.2	77.4	-166.9	178.9	0	115.2	F533 E536 S537 W538 R543 A544	F533-K541 WeakPolarHBondContact O-CE 3.16Å; F533-K541 PolarHBondContact O-NZ 3.39Å; E536-K541 PolarHBondContact O-NZ 3.23Å; S537-K541 PolarHBondContact O-N 2.77Å; W538-K541 HydrophobicContact CE3-CD 4.31Å; K541-R543 PolarHBondContact O-N 2.89Å; K541-R543 VanDerWaalsContact O-N 3.17Å; K541-A544 VanDerWaalsContact O-CB 3.22Å; K541-A544 WeakPolarHBondContact O-CB 3.42Å; K541-A544 PolarHBondContact O-N 3.28Å
542	P	94.3	Very high	94.2	Very high	99 Å²	99	75.1 Å²	75.1	64%	0.643	39%	0.388	S	S	*	.	H	α-helix	trans	-57	-27.7	173.9	-28.5	37.6	0	0	0	114.5	T540 A544 F545	T540-P542 VanDerWaalsContact C-N 3.26Å; P542-A544 PolarHBondContact O-N 3.47Å; P542-F545 PolarHBondContact O-N 3.27Å
543	R	92.8	Very high	94.3	Very high	162 Å²	162	79 Å²	79	61%	0.611	40%	0.403	S	S	*	.	H	α-helix	trans	-63.2	-28.4	175	-64.7	-172	179	170	-3.9	112.7	E536 T540 K541 F545 L546 S547	E536-R543 HydrophobicContact CG-CB 4.45Å; T540-R543 VanDerWaalsContact O-CB 3.22Å; T540-R543 WeakPolarHBondContact O-CB 3.29Å; T540-R543 WeakPolarHBondContact O-CG 3.11Å; T540-R543 PolarHBondContact O-N 2.83Å; K541-R543 PolarHBondContact O-N 2.89Å; K541-R543 VanDerWaalsContact O-N 3.17Å; R543-F545 PolarHBondContact O-N 2.81Å; R543-L546 WeakPolarHBondContact O-CB 3.3Å; R543-L546 PolarHBondContact O-N 3.46Å; R543-S547 PolarHBondContact O-N 2.8Å; R543-S547 PolarHBondContact O-OG 3.25Å
544	A	94	Very high	94.3	Very high	0 Å²	0	78.8 Å²	78.8	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-60.1	-32.7	176	0	0	0	0	0	112.2	F533 E536 K541 P542 S547 S548	F533-A544 HydrophobicContact CD1-CB 3.64Å; F533-A544 HydrophobicContact CD2-CB 4.5Å; F533-A544 HydrophobicContact CE1-CB 3.83Å; F533-A544 HydrophobicContact CG-CB 4Å; F533-A544 HydrophobicContact CZ-CB 4.34Å; E536-A544 HydrophobicContact CB-CB 3.98Å; E536-A544 HydrophobicContact CG-CB 4.15Å; K541-A544 VanDerWaalsContact O-CB 3.22Å; K541-A544 WeakPolarHBondContact O-CB 3.42Å; K541-A544 PolarHBondContact O-N 3.28Å; P542-A544 PolarHBondContact O-N 3.47Å; A544-S547 WeakPolarHBondContact CA-OG 3.42Å; A544-S547 PolarHBondContact O-OG 2.81Å; A544-S547 VanDerWaalsContact O-OG 3.1Å; A544-S548 WeakPolarHBondContact O-CB 3.41Å; A544-S548 PolarHBondContact O-N 3.42Å; A544-S548 PolarHBondContact O-OG 2.86Å
545	F	94.5	Very high	94.3	Very high	141 Å²	141	72.5 Å²	72.5	62%	0.618	37%	0.373	S	S	*	.	H	α-helix	trans	-67.4	-38.8	174.8	-71	-83.7	0	0	0	112	F533 P542 R543 G549	F533-F545 HydrophobicContact CE1-CD1 4.3Å; F533-F545 HydrophobicContact CE1-CD2 4.14Å; F533-F545 HydrophobicContact CE1-CE1 4.06Å; F533-F545 AromaticContact CE1-CE2 3.9Å; F533-F545 HydrophobicContact CE1-CE2 3.9Å; F533-F545 HydrophobicContact CE1-CG 4.34Å; F533-F545 AromaticContact CE1-CZ 3.85Å; F533-F545 HydrophobicContact CE1-CZ 3.85Å; F533-F545 AromaticContact CZ-CD1 3.75Å; F533-F545 HydrophobicContact CZ-CD1 3.75Å; F533-F545 HydrophobicContact CZ-CD2 4.33Å; F533-F545 AromaticContact CZ-CE1 3.73Å; F533-F545 HydrophobicContact CZ-CE1 3.73Å; F533-F545 HydrophobicContact CZ-CE2 4.32Å; F533-F545 HydrophobicContact CZ-CG 4.06Å; F533-F545 HydrophobicContact CZ-CZ 4.03Å; P542-F545 PolarHBondContact O-N 3.27Å; R543-F545 PolarHBondContact O-N 2.81Å; F545-G549 PolarHBondContact O-N 3.07Å
546	L	93.9	Very high	94.4	Very high	136 Å²	136	69.3 Å²	69.3	71%	0.712	35%	0.35	S	S	*	.	H	α-helix	trans	-67.9	-47.8	178.5	-177.5	65.2	0	0	0	111.2	R543 G549 A550	R543-L546 WeakPolarHBondContact O-CB 3.3Å; R543-L546 PolarHBondContact O-N 3.46Å; L546-G549 PolarHBondContact O-N 3.32Å; L546-A550 PolarHBondContact O-N 2.96Å
547	S	93.3	Very high	94.5	Very high	26 Å²	26	69.1 Å²	69.1	18%	0.182	35%	0.354	C	S	.	.	H	α-helix	trans	-63.6	-41.2	176.5	53.5	0	0	0	0	111.8	R543 A544 G549 A550 V551	R543-S547 PolarHBondContact O-N 2.8Å; R543-S547 PolarHBondContact O-OG 3.25Å; A544-S547 WeakPolarHBondContact CA-OG 3.42Å; A544-S547 PolarHBondContact O-OG 2.81Å; A544-S547 VanDerWaalsContact O-OG 3.1Å; S547-G549 PolarHBondContact O-N 3.17Å; S547-A550 WeakPolarHBondContact O-CB 3.05Å; S547-A550 PolarHBondContact O-N 2.63Å; S547-V551 WeakPolarHBondContact O-CG2 3.3Å; S547-V551 PolarHBondContact O-N 2.77Å
548	S	95.5	Very high	94.5	Very high	9 Å²	9	67.2 Å²	67.2	6%	0.063	34%	0.338	C	S	.	.	H	α-helix	trans	-60.4	-44.2	174.5	-61.5	0	0	0	0	112.4	F533 A544 A550 V551 L552	F533-S548 WeakPolarHBondContact CE2-OG 3.22Å; A544-S548 WeakPolarHBondContact O-CB 3.41Å; A544-S548 PolarHBondContact O-N 3.42Å; A544-S548 PolarHBondContact O-OG 2.86Å; S548-A550 VanDerWaalsContact C-N 3.33Å; S548-A550 PolarHBondContact O-N 3.13Å; S548-V551 PolarHBondContact O-N 2.84Å; S548-L552 WeakPolarHBondContact O-CG 3.33Å; S548-L552 PolarHBondContact O-N 3.03Å
549	G	96.3	Very high	94.6	Very high	42 Å²	42	56.6 Å²	56.6	43%	0.433	30%	0.298	S	S	.	.	H	α-helix	trans	-61.3	-41.3	175	0	0	0	0	0	112.3	F545 L546 S547 Y553	F545-G549 PolarHBondContact O-N 3.07Å; L546-G549 PolarHBondContact O-N 3.32Å; S547-G549 PolarHBondContact O-N 3.17Å; G549-Y553 VanDerWaalsContact O-CB 3.24Å; G549-Y553 WeakPolarHBondContact O-CB 3.19Å; G549-Y553 PolarHBondContact O-N 3.49Å
550	A	95.8	Very high	94.7	Very high	37 Å²	37	50.6 Å²	50.6	31%	0.306	27%	0.266	S	S	.	.	H	α-helix	trans	-64.7	-44.6	176.2	0	0	0	0	0	112.3	L546 S547 S548 Y553 R554	L546-A550 PolarHBondContact O-N 2.96Å; S547-A550 WeakPolarHBondContact O-CB 3.05Å; S547-A550 PolarHBondContact O-N 2.63Å; S548-A550 VanDerWaalsContact C-N 3.33Å; S548-A550 PolarHBondContact O-N 3.13Å; A550-Y553 PolarHBondContact O-N 3.48Å; A550-R554 WeakPolarHBondContact O-CB 3.15Å; A550-R554 WeakPolarHBondContact O-CG 3.24Å; A550-R554 PolarHBondContact O-N 2.63Å
551	V	96.1	Very high	94.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.6	-48	176.2	165.1	0	0	0	0	111.5	Q484 L485 A528 V529 S547 S548 R554 S555	Q484-V551 HydrophobicContact CB-CG2 4.37Å; L485-V551 HydrophobicContact CD2-CG1 3.77Å; L485-V551 HydrophobicContact CG-CG1 4.01Å; A528-V551 HydrophobicContact CB-CG1 3.73Å; V529-V551 HydrophobicContact CG2-CG1 4.19Å; S547-V551 WeakPolarHBondContact O-CG2 3.3Å; S547-V551 PolarHBondContact O-N 2.77Å; S548-V551 PolarHBondContact O-N 2.84Å; V551-R554 PolarHBondContact O-N 3.45Å; V551-S555 WeakPolarHBondContact O-CB 3.42Å; V551-S555 PolarHBondContact O-N 2.88Å; V551-S555 PolarHBondContact O-OG 3.36Å
552	L	96.6	Very high	95	Very high	64 Å²	64	49.5 Å²	49.5	34%	0.335	26%	0.264	S	S	.	.	H	α-helix	trans	-65	-44.2	177.6	-71.3	175.5	0	0	0	111.7	L526 V529 S548 R554 S555 C556	L526-L552 HydrophobicContact CD2-CD2 4.32Å; V529-L552 HydrophobicContact CG2-CD1 4.23Å; V529-L552 HydrophobicContact CG2-CD2 4.01Å; V529-L552 HydrophobicContact CG2-CG 3.79Å; S548-L552 WeakPolarHBondContact O-CG 3.33Å; S548-L552 PolarHBondContact O-N 3.03Å; L552-R554 VanDerWaalsContact C-N 3.34Å; L552-R554 PolarHBondContact O-N 2.87Å; L552-S555 PolarHBondContact O-N 3.25Å; L552-C556 PolarHBondContact O-N 3.48Å; L552-C556 PolarHBondContact O-SG 3.45Å; L552-C556 VanDerWaalsContact O-SG 3.37Å
553	Y	96.1	Very high	95	Very high	85 Å²	85	45.6 Å²	45.6	33%	0.333	24%	0.237	S	C	.	.	H	α-helix	trans	-58.3	-46.9	175.9	176.3	-100.8	0	0	0	111.5	L42 G549 A550 C556 S557	L42-Y553 HydrophobicContact CB-CE2 3.78Å; L42-Y553 HydrophobicContact CD1-CD2 4.15Å; L42-Y553 HydrophobicContact CD1-CE2 3.65Å; L42-Y553 HydrophobicContact CG-CE2 4.23Å; G549-Y553 VanDerWaalsContact O-CB 3.24Å; G549-Y553 WeakPolarHBondContact O-CB 3.19Å; G549-Y553 PolarHBondContact O-N 3.49Å; A550-Y553 PolarHBondContact O-N 3.48Å; Y553-C556 PolarHBondContact O-N 3.19Å; Y553-S557 WeakPolarHBondContact O-CB 3.31Å; Y553-S557 PolarHBondContact O-N 3.49Å
554	R	94.7	Very high	95.1	Very high	61 Å²	61	43.4 Å²	43.4	23%	0.23	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-44.7	177.5	-78	-53.1	-149.4	-168.1	5.8	112.2	D479 L482 A550 V551 L552 C556 S557 I558	D479-R554 IonicContact OD2-CZ 3.18Å; D479-R554 IonicContact OD2-NE 2.87Å; D479-R554 PolarHBondContact OD2-NE 3.27Å; D479-R554 IonicContact OD2-NH2 2.73Å; D479-R554 PolarHBondContact OD2-NH2 2.89Å; L482-R554 HydrophobicContact CD2-CB 4.48Å; A550-R554 WeakPolarHBondContact O-CB 3.15Å; A550-R554 WeakPolarHBondContact O-CG 3.24Å; A550-R554 PolarHBondContact O-N 2.63Å; V551-R554 PolarHBondContact O-N 3.45Å; L552-R554 VanDerWaalsContact C-N 3.34Å; L552-R554 PolarHBondContact O-N 2.87Å; R554-C556 PolarHBondContact O-N 2.97Å; R554-S557 WeakPolarHBondContact CA-OG 3.36Å; R554-S557 PolarHBondContact O-N 3.5Å; R554-S557 VanDerWaalsContact O-N 3.12Å; R554-S557 PolarHBondContact O-OG 3.1Å; R554-I558 PolarHBondContact O-N 3.32Å
555	S	94.6	Very high	95	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-55.8	-49.2	175.9	-57.5	0	0	0	0	111.4	L485 F521 A525 V551 L552 S557 I558 I559	L485-S555 WeakPolarHBondContact CD1-OG 3.19Å; L485-S555 WeakPolarHBondContact CD2-OG 3.43Å; F521-S555 WeakPolarHBondContact CE1-O 3.39Å; A525-S555 WeakPolarHBondContact CB-OG 3.29Å; V551-S555 WeakPolarHBondContact O-CB 3.42Å; V551-S555 PolarHBondContact O-N 2.88Å; V551-S555 PolarHBondContact O-OG 3.36Å; L552-S555 PolarHBondContact O-N 3.25Å; S555-S557 PolarHBondContact O-N 2.99Å; S555-I558 PolarHBondContact O-N 3.38Å; S555-I559 WeakPolarHBondContact O-CG2 3.4Å; S555-I559 PolarHBondContact O-N 2.87Å
556	C	95.9	Very high	95	Very high	29 Å²	29	38 Å²	38	20%	0.196	21%	0.208	C	C	.	.	H	α-helix	trans	-63.1	-40	176.1	-68.3	0	0	0	0	112.5	L552 Y553 R554 I558 I559 F560	L552-C556 PolarHBondContact O-N 3.48Å; L552-C556 PolarHBondContact O-SG 3.45Å; L552-C556 VanDerWaalsContact O-SG 3.37Å; Y553-C556 PolarHBondContact O-N 3.19Å; R554-C556 PolarHBondContact O-N 2.97Å; C556-I558 PolarHBondContact O-N 2.94Å; C556-I559 PolarHBondContact O-N 2.92Å; C556-F560 HydrophobicContact CB-CD2 4.23Å; C556-F560 HydrophobicContact CB-CE2 4.07Å; C556-F560 HydrophobicContact CB-CZ 4.4Å; C556-F560 WeakPolarHBondContact O-CB 3.41Å; C556-F560 PolarHBondContact O-N 2.94Å
557	S	94.7	Very high	94.7	Very high	40 Å²	40	35.4 Å²	35.4	28%	0.28	19%	0.194	S	C	.	.	H	α-helix	trans	-65.2	-25.4	179.5	78.2	0	0	0	0	113.5	Y553 R554 S555 P561	Y553-S557 WeakPolarHBondContact O-CB 3.31Å; Y553-S557 PolarHBondContact O-N 3.49Å; R554-S557 WeakPolarHBondContact CA-OG 3.36Å; R554-S557 PolarHBondContact O-N 3.5Å; R554-S557 VanDerWaalsContact O-N 3.12Å; R554-S557 PolarHBondContact O-OG 3.1Å; S555-S557 PolarHBondContact O-N 2.99Å; S557-P561 VanDerWaalsContact O-CD 3.27Å; S557-P561 WeakPolarHBondContact O-CD 3.28Å; S557-P561 VanDerWaalsContact O-CG 3.3Å; S557-P561 WeakPolarHBondContact O-CG 3.24Å
558	I	93.9	Very high	94.1	Very high	22 Å²	22	39.5 Å²	39.5	11%	0.113	21%	0.208	C	C	.	.	H	α-helix	trans	-81.3	-56.8	172.8	-69.7	166.8	0	0	0	110.2	A470 E473 L482 F521 R554 S555 C556 P561 L562	A470-I558 HydrophobicContact CB-CG2 4.03Å; E473-I558 HydrophobicContact CB-CD1 4.13Å; E473-I558 HydrophobicContact CB-CG1 4.43Å; L482-I558 HydrophobicContact CD2-CD1 3.28Å; L482-I558 HydrophobicContact CD2-CG1 4.5Å; F521-I558 HydrophobicContact CZ-CG2 4.48Å; R554-I558 PolarHBondContact O-N 3.32Å; S555-I558 PolarHBondContact O-N 3.38Å; C556-I558 PolarHBondContact O-N 2.94Å; I558-P561 WeakPolarHBondContact O-CD 3.26Å; I558-L562 HydrophobicContact CG2-CD1 3.98Å; I558-L562 WeakPolarHBondContact O-CD1 3.46Å; I558-L562 VanDerWaalsContact O-CG 3.31Å; I558-L562 WeakPolarHBondContact O-CG 3.45Å
559	I	95	Very high	92.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-77.1	-36.8	-164	-159.7	71.3	0	0	0	113	V466 A470 L517 F521 F522 S555 C556 L562 I563	V466-I559 HydrophobicContact CG1-CD1 3.39Å; V466-I559 HydrophobicContact CG1-CG1 4.43Å; A470-I559 HydrophobicContact CB-CD1 4.15Å; L517-I559 HydrophobicContact CD2-CD1 4.13Å; F521-I559 HydrophobicContact CD1-CB 3.94Å; F521-I559 HydrophobicContact CD1-CD1 4.18Å; F521-I559 HydrophobicContact CD1-CG1 3.94Å; F521-I559 HydrophobicContact CD1-CG2 4.07Å; F521-I559 HydrophobicContact CD2-CD1 3.97Å; F521-I559 HydrophobicContact CE1-CB 3.52Å; F521-I559 HydrophobicContact CE1-CD1 4.35Å; F521-I559 HydrophobicContact CE1-CG1 4.04Å; F521-I559 HydrophobicContact CE1-CG2 3.66Å; F521-I559 HydrophobicContact CE2-CB 4.47Å; F521-I559 HydrophobicContact CE2-CD1 4.15Å; F521-I559 HydrophobicContact CG-CD1 3.99Å; F521-I559 HydrophobicContact CG-CG1 4.24Å; F521-I559 HydrophobicContact CZ-CB 3.82Å; F521-I559 HydrophobicContact CZ-CD1 4.34Å; F521-I559 HydrophobicContact CZ-CG1 4.42Å; F521-I559 HydrophobicContact CZ-CG2 4.38Å; F522-I559 HydrophobicContact CE2-CG2 4.13Å; F522-I559 HydrophobicContact CZ-CG2 3.84Å; S555-I559 WeakPolarHBondContact O-CG2 3.4Å; S555-I559 PolarHBondContact O-N 2.87Å; C556-I559 PolarHBondContact O-N 2.92Å; I559-L562 PolarHBondContact O-N 2.91Å; I559-I563 HydrophobicContact CG1-CD1 3.83Å; I559-I563 HydrophobicContact CG1-CG1 4.21Å; I559-I563 VanDerWaalsContact O-CG1 3.27Å; I559-I563 WeakPolarHBondContact O-CG1 3.38Å; I559-I563 PolarHBondContact O-N 3.1Å
560	F	96.3	Very high	90.4	Very high	28 Å²	28	43.1 Å²	43.1	12%	0.123	21%	0.213	C	C	.	.	H	α-helix	trans	-66.1	-44.7	-175.9	-69.3	-6.9	0	0	0	113.5	F36 F522 C556 L562 I563 Y564	F36-F560 HydrophobicContact CD2-CB 4.43Å; F36-F560 HydrophobicContact CD2-CD1 4.26Å; F36-F560 AromaticContact CD2-CD2 3.97Å; F36-F560 HydrophobicContact CD2-CD2 3.97Å; F36-F560 HydrophobicContact CD2-CE2 4.26Å; F36-F560 AromaticContact CD2-CG 3.98Å; F36-F560 HydrophobicContact CD2-CG 3.98Å; F36-F560 HydrophobicContact CE2-CB 4.22Å; F36-F560 HydrophobicContact CE2-CD1 4.49Å; F36-F560 HydrophobicContact CE2-CG 4.21Å; F522-F560 HydrophobicContact CE2-CE1 4.34Å; F522-F560 AromaticContact CZ-CE1 3.83Å; F522-F560 HydrophobicContact CZ-CE1 3.83Å; F522-F560 HydrophobicContact CZ-CZ 4.32Å; C556-F560 HydrophobicContact CB-CD2 4.23Å; C556-F560 HydrophobicContact CB-CE2 4.07Å; C556-F560 HydrophobicContact CB-CZ 4.4Å; C556-F560 WeakPolarHBondContact O-CB 3.41Å; C556-F560 PolarHBondContact O-N 2.94Å; F560-L562 VanDerWaalsContact C-N 3.28Å; F560-L562 PolarHBondContact O-N 3.01Å; F560-I563 PolarHBondContact O-N 2.78Å; F560-Y564 WeakPolarHBondContact O-CB 3.48Å; F560-Y564 PolarHBondContact O-N 2.6Å
561	P	95.2	Very high	87.9	Confident	39 Å²	39	47.5 Å²	47.5	25%	0.253	24%	0.236	S	C	.	.	H	α-helix	trans	-61.3	-36.5	174.1	-25.9	36.9	0	0	0	113.1	S557 I558 Y564 S565	S557-P561 VanDerWaalsContact O-CD 3.27Å; S557-P561 WeakPolarHBondContact O-CD 3.28Å; S557-P561 VanDerWaalsContact O-CG 3.3Å; S557-P561 WeakPolarHBondContact O-CG 3.24Å; I558-P561 WeakPolarHBondContact O-CD 3.26Å; P561-Y564 PolarHBondContact O-N 3.09Å; P561-S565 WeakPolarHBondContact O-CB 3.16Å; P561-S565 PolarHBondContact O-N 3.34Å
562	L	94.9	Very high	85.2	Confident	20 Å²	20	55.3 Å²	55.3	11%	0.105	27%	0.266	C	S	.	.	H	α-helix	trans	-67.5	-47	178.2	-66.8	174	0	0	0	111.5	F390 V466 Q469 A470 I558 I559 F560 Y564 S565 E566	F390-L562 HydrophobicContact CZ-CD2 4.14Å; V466-L562 HydrophobicContact CG1-CB 4.07Å; V466-L562 HydrophobicContact CG2-CB 4.25Å; Q469-L562 HydrophobicContact CB-CD1 3.67Å; Q469-L562 HydrophobicContact CB-CD2 3.55Å; Q469-L562 HydrophobicContact CB-CG 4.27Å; Q469-L562 HydrophobicContact CG-CD2 3.91Å; A470-L562 HydrophobicContact CB-CD1 4.04Å; I558-L562 HydrophobicContact CG2-CD1 3.98Å; I558-L562 WeakPolarHBondContact O-CD1 3.46Å; I558-L562 VanDerWaalsContact O-CG 3.31Å; I558-L562 WeakPolarHBondContact O-CG 3.45Å; I559-L562 PolarHBondContact O-N 2.91Å; F560-L562 VanDerWaalsContact C-N 3.28Å; F560-L562 PolarHBondContact O-N 3.01Å; L562-Y564 VanDerWaalsContact C-N 3.32Å; L562-Y564 PolarHBondContact O-N 3.2Å; L562-S565 WeakPolarHBondContact O-CB 3.22Å; L562-S565 PolarHBondContact O-N 3.02Å; L562-S565 VanDerWaalsContact O-N 3.12Å; L562-S565 PolarHBondContact O-OG 3.04Å; L562-E566 PolarHBondContact O-N 3.38Å
563	I	95.1	Very high	84.7	Confident	17 Å²	17	54.9 Å²	54.9	9%	0.087	26%	0.263	C	S	.	.	H	α-helix	trans	-56.7	-48.2	174	-69.5	172.4	0	0	0	110.3	F462 I518 I559 F560 S565 E566 M567	F462-I563 HydrophobicContact CE2-CB 4.48Å; F462-I563 HydrophobicContact CE2-CG1 4.34Å; F462-I563 HydrophobicContact CE2-CG2 4.11Å; F462-I563 HydrophobicContact CZ-CB 4.45Å; F462-I563 HydrophobicContact CZ-CG1 3.84Å; F462-I563 HydrophobicContact CZ-CG2 4.28Å; I518-I563 HydrophobicContact CD1-CD1 4.03Å; I518-I563 HydrophobicContact CG1-CD1 4.1Å; I559-I563 HydrophobicContact CG1-CD1 3.83Å; I559-I563 HydrophobicContact CG1-CG1 4.21Å; I559-I563 VanDerWaalsContact O-CG1 3.27Å; I559-I563 WeakPolarHBondContact O-CG1 3.38Å; I559-I563 PolarHBondContact O-N 3.1Å; F560-I563 PolarHBondContact O-N 2.78Å; I563-S565 VanDerWaalsContact C-N 3.26Å; I563-S565 PolarHBondContact O-N 2.85Å; I563-E566 PolarHBondContact O-N 2.8Å; I563-M567 HydrophobicContact CG2-SD 3.72Å; I563-M567 WeakPolarHBondContact O-CG 3.28Å; I563-M567 PolarHBondContact O-N 2.65Å
564	Y	94.3	Very high	84.1	Confident	116 Å²	116	53.3 Å²	53.3	46%	0.455	26%	0.259	S	S	.	.	H	α-helix	trans	-60.8	-36.9	178.7	-178.8	-104.5	0	0	0	112	F560 P561 L562 E566 M567 K568	F560-Y564 WeakPolarHBondContact O-CB 3.48Å; F560-Y564 PolarHBondContact O-N 2.6Å; P561-Y564 PolarHBondContact O-N 3.09Å; L562-Y564 VanDerWaalsContact C-N 3.32Å; L562-Y564 PolarHBondContact O-N 3.2Å; Y564-E566 VanDerWaalsContact C-N 3.29Å; Y564-E566 PolarHBondContact O-N 3Å; Y564-M567 CarbonylContact O-C 3.47Å; Y564-M567 PolarHBondContact O-N 3.04Å; Y564-M567 VanDerWaalsContact O-N 3.09Å; Y564-K568 HydrophobicContact CE1-CG 4.42Å; Y564-K568 PolarHBondContact O-N 3.19Å
565	S	93.2	Very high	83.5	Confident	18 Å²	18	52.9 Å²	52.9	13%	0.126	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-32.7	179.2	79.1	0	0	0	0	113.6	P561 L562 I563	P561-S565 WeakPolarHBondContact O-CB 3.16Å; P561-S565 PolarHBondContact O-N 3.34Å; L562-S565 WeakPolarHBondContact O-CB 3.22Å; L562-S565 PolarHBondContact O-N 3.02Å; L562-S565 VanDerWaalsContact O-N 3.12Å; L562-S565 PolarHBondContact O-OG 3.04Å; I563-S565 VanDerWaalsContact C-N 3.26Å; I563-S565 PolarHBondContact O-N 2.85Å
566	E	93.4	Very high	82.8	Confident	9 Å²	9	56 Å²	56	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-80.9	-19.7	175.1	-68.3	-65.3	130.2	0	0	113	P393 S461 F462 N465 V466 L562 I563 Y564	P393-E566 WeakPolarHBondContact CD-OE1 3.22Å; S461-E566 PolarHBondContact OG-OE2 3.29Å; F462-E566 HydrophobicContact CD2-CB 3.82Å; F462-E566 HydrophobicContact CD2-CG 4.27Å; F462-E566 HydrophobicContact CE2-CB 4.46Å; N465-E566 HydrophobicContact CB-CG 4.5Å; N465-E566 VanDerWaalsContact CB-OE1 3.27Å; N465-E566 WeakPolarHBondContact CB-OE1 3.28Å; N465-E566 PolarHBondContact ND2-OE1 3.24Å; V466-E566 HydrophobicContact CG2-CG 3.91Å; L562-E566 PolarHBondContact O-N 3.38Å; I563-E566 PolarHBondContact O-N 2.8Å; Y564-E566 VanDerWaalsContact C-N 3.29Å; Y564-E566 PolarHBondContact O-N 3Å
567	M	87.9	Confident	82	Confident	82 Å²	82	57.7 Å²	57.7	40%	0.404	28%	0.281	S	S	.	.	H	α-helix	trans	-102.8	-7.2	-176.3	-66.3	-177.8	70.7	0	0	114	I563 Y564 Y569 L570	I563-M567 HydrophobicContact CG2-SD 3.72Å; I563-M567 WeakPolarHBondContact O-CG 3.28Å; I563-M567 PolarHBondContact O-N 2.65Å; Y564-M567 CarbonylContact O-C 3.47Å; Y564-M567 PolarHBondContact O-N 3.04Å; Y564-M567 VanDerWaalsContact O-N 3.09Å; M567-Y569 PolarHBondContact O-N 3.28Å; M567-L570 HydrophobicContact CB-CD1 3.89Å; M567-L570 HydrophobicContact CE-CD1 3.66Å; M567-L570 WeakPolarHBondContact O-CD1 3.47Å; M567-L570 VanDerWaalsContact O-CG 3.25Å; M567-L570 WeakPolarHBondContact O-CG 3.46Å; M567-L570 PolarHBondContact O-N 3.17Å
568	K	80.1	Confident	81.2	Confident	112 Å²	112	58.9 Å²	58.9	49%	0.487	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-27.2	-171.7	-171.3	176.8	177.8	-172.5	0	114.5	Y564	Y564-K568 HydrophobicContact CE1-CG 4.42Å; Y564-K568 PolarHBondContact O-N 3.19Å
569	Y	65.6	Low	80.2	Confident	53 Å²	53	61.5 Å²	61.5	21%	0.208	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	38.3	-175.9	-59.3	-79.6	0	0	0	113.1	P393 S394 A395 M567 V571 Y572	P393-Y569 WeakPolarHBondContact O-CE2 3.29Å; S394-Y569 WeakPolarHBondContact CB-OH 3.43Å; S394-Y569 PolarHBondContact OG-OH 3.45Å; A395-Y569 HydrophobicContact CB-CD1 3.86Å; A395-Y569 HydrophobicContact CB-CE1 4.28Å; A395-Y569 HydrophobicContact CB-CG 4.33Å; M567-Y569 PolarHBondContact O-N 3.28Å; Y569-V571 VanDerWaalsContact C-N 3.27Å; Y569-V571 PolarHBondContact O-N 3.33Å; Y569-Y572 AromaticContact CD1-CE2 3.96Å; Y569-Y572 HydrophobicContact CD1-CE2 3.96Å
570	L	50.1	Low	79.1	Confident	73 Å²	73	66.2 Å²	66.2	38%	0.382	32%	0.316	S	S	.	.			trans	-71.1	-14.8	177.4	-90.6	162.3	0	0	0	114.8	W454 K457 M567	W454-L570 HydrophobicContact CH2-CD2 3.44Å; W454-L570 VanDerWaalsContact CH2-CD2 3.44Å; W454-L570 HydrophobicContact CZ2-CD2 3.69Å; W454-L570 HydrophobicContact CZ3-CD2 4.26Å; K457-L570 VanDerWaalsContact NZ-CD2 3.33Å; M567-L570 HydrophobicContact CB-CD1 3.89Å; M567-L570 HydrophobicContact CE-CD1 3.66Å; M567-L570 WeakPolarHBondContact O-CD1 3.47Å; M567-L570 VanDerWaalsContact O-CG 3.25Å; M567-L570 WeakPolarHBondContact O-CG 3.46Å; M567-L570 PolarHBondContact O-N 3.17Å
571	V	41.8	Very low	77.7	Confident	130 Å²	130	69.4 Å²	69.4	79%	0.788	33%	0.332	S	S	*	.			trans	-123.8	100.1	-172.9	-172.7	0	0	0	0	109.3	Y569	Y569-V571 VanDerWaalsContact C-N 3.27Å; Y569-V571 PolarHBondContact O-N 3.33Å
572	Y	40.7	Very low	76.1	Confident	164 Å²	164	72.2 Å²	72.2	64%	0.643	34%	0.339	S	S	*	.			trans	-151	0	164.7	-88.8	-64.9	0	0	0	110.6	A395 N397 R450 Y569	A395-Y572 HydrophobicContact CB-CD2 4.06Å; A395-Y572 HydrophobicContact CB-CE2 3.42Å; A395-Y572 VanDerWaalsContact CB-CE2 3.42Å; N397-Y572 PolarHBondContact ND2-OH 3Å; R450-Y572 PolarHBondContact NH2-OXT 2.8Å; Y569-Y572 AromaticContact CD1-CE2 3.96Å; Y569-Y572 HydrophobicContact CD1-CE2 3.96Å

Retrieved 572 of 572 residues in 4435.3 ms (Link to these results)

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