A0A087Y7C8_POEFO 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 A0A087Y7C8, Species POEFO (Poecilia formosa, Amazon molly), 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	43.5	Very low	47	Very low	211 Å²	211	123.2 Å²	123.2	100%	1.039	64%	0.64	S	S	*	*				0	-29.6	0	-95.2	174.7	66.8	0	0	114.5
2	W	41	Very low	47.7	Very low	228 Å²	228	125.3 Å²	125.3	86%	0.864	64%	0.636	S	S	*	*	H	α-helix	trans	-80.9	-16.8	-177.8	-73.4	83.4	0	0	0	116
3	T	45.1	Very low	48.3	Very low	106 Å²	106	123.1 Å²	123.1	65%	0.65	63%	0.625	S	S	*	*	H	α-helix	trans	-77.6	-26.9	176.1	44.2	0	0	0	0	113.4	I7	T3-I7 WeakPolarHBondContact O-CG1 3.2Å
4	F	45	Very low	48.5	Very low	168 Å²	168	125.2 Å²	125.2	74%	0.737	62%	0.623	S	S	*	*	H	α-helix	trans	-76.3	-32.1	178.4	-104.1	-93.2	0	0	0	113.2	A8	F4-A8 PolarHBondContact O-N 2.98Å
5	L	44.9	Very low	48.4	Very low	116 Å²	116	128.3 Å²	128.3	61%	0.607	63%	0.631	S	S	*	*	H	α-helix	trans	-72.5	-33.7	179.9	-156	70.1	0	0	0	111.9	T9	L5-T9 WeakPolarHBondContact O-CB 3.42Å; L5-T9 PolarHBondContact O-N 3.04Å; L5-T9 PolarHBondContact O-OG1 3.44Å
6	G	43.8	Very low	48.3	Very low	45 Å²	45	127.6 Å²	127.6	46%	0.464	62%	0.624	S	S	.	*	H	α-helix	trans	-67.6	-42.3	175	0	0	0	0	0	113.5	T9 F10	G6-T9 PolarHBondContact O-N 3.46Å; G6-F10 WeakPolarHBondContact O-CB 3.31Å; G6-F10 PolarHBondContact O-N 3.32Å
7	I	54	Low	48.2	Very low	115 Å²	115	123.1 Å²	123.1	59%	0.59	61%	0.608	S	S	*	*	H	α-helix	trans	-69.1	-39.8	-178.8	-64.6	169.2	0	0	0	111.2	T3 F10 T11	T3-I7 WeakPolarHBondContact O-CG1 3.2Å; I7-F10 PolarHBondContact O-N 3.35Å; I7-T11 PolarHBondContact O-N 3.02Å; I7-T11 PolarHBondContact O-OG1 3.34Å
8	A	50.9	Low	48	Very low	56 Å²	56	120.9 Å²	120.9	46%	0.463	60%	0.599	S	S	.	*	H	α-helix	trans	-66.4	-37.8	176.4	0	0	0	0	0	112.4	F4 T11 Y12	F4-A8 PolarHBondContact O-N 2.98Å; A8-T11 WeakPolarHBondContact CA-OG1 3.48Å; A8-T11 PolarHBondContact O-OG1 3.38Å; A8-Y12 WeakPolarHBondContact O-CB 3.42Å; A8-Y12 PolarHBondContact O-N 3.1Å
9	T	50.3	Low	48.2	Very low	73 Å²	73	121.3 Å²	121.3	45%	0.448	60%	0.6	S	S	.	*	H	α-helix	trans	-70.8	-37.9	177.5	-48	0	0	0	0	111.3	L5 G6 Y12 I13	L5-T9 WeakPolarHBondContact O-CB 3.42Å; L5-T9 PolarHBondContact O-N 3.04Å; L5-T9 PolarHBondContact O-OG1 3.44Å; G6-T9 PolarHBondContact O-N 3.46Å; T9-Y12 PolarHBondContact O-N 3.08Å; T9-I13 HydrophobicContact CG2-CD1 4.16Å; T9-I13 VanDerWaalsContact O-CG1 3.29Å; T9-I13 WeakPolarHBondContact O-CG1 3.42Å; T9-I13 PolarHBondContact O-N 2.95Å
10	F	46.1	Very low	48.1	Very low	155 Å²	155	121.1 Å²	121.1	68%	0.68	60%	0.601	S	S	*	*	H	α-helix	trans	-70.7	-39.3	176.8	-160.1	-94.1	0	0	0	112.7	G6 I7 I13 Y14	G6-F10 WeakPolarHBondContact O-CB 3.31Å; G6-F10 PolarHBondContact O-N 3.32Å; I7-F10 PolarHBondContact O-N 3.35Å; F10-I13 PolarHBondContact O-N 2.64Å; F10-Y14 WeakPolarHBondContact O-CB 3.23Å; F10-Y14 PolarHBondContact O-N 3.32Å
11	T	52.8	Low	48.1	Very low	82 Å²	82	120 Å²	120	50%	0.503	60%	0.597	S	S	.	*	H	α-helix	trans	-68.2	-35.7	173.2	26.6	0	0	0	0	112.3	I7 A8 K15	I7-T11 PolarHBondContact O-N 3.02Å; I7-T11 PolarHBondContact O-OG1 3.34Å; A8-T11 WeakPolarHBondContact CA-OG1 3.48Å; A8-T11 PolarHBondContact O-OG1 3.38Å; T11-K15 WeakPolarHBondContact O-CB 3.37Å; T11-K15 PolarHBondContact O-N 3.04Å
12	Y	55.3	Low	48.5	Very low	149 Å²	149	114.7 Å²	114.7	58%	0.584	57%	0.573	S	S	*	*	H	α-helix	trans	-64.6	-45.5	173.9	-178.7	-106	0	0	0	111.8	A8 T9 K16	A8-Y12 WeakPolarHBondContact O-CB 3.42Å; A8-Y12 PolarHBondContact O-N 3.1Å; T9-Y12 PolarHBondContact O-N 3.08Å; Y12-K16 HydrophobicContact CE1-CD 4.35Å; Y12-K16 VanDerWaalsContact O-CB 3.29Å; Y12-K16 WeakPolarHBondContact O-CB 3.27Å; Y12-K16 PolarHBondContact O-N 3.03Å
13	I	55.4	Low	49.1	Very low	96 Å²	96	106.9 Å²	106.9	49%	0.492	55%	0.55	S	S	.	*	H	α-helix	trans	-65.5	-44.4	176.1	-67.5	168.9	0	0	0	110.7	T9 F10 K15 K16 S17	T9-I13 HydrophobicContact CG2-CD1 4.16Å; T9-I13 VanDerWaalsContact O-CG1 3.29Å; T9-I13 WeakPolarHBondContact O-CG1 3.42Å; T9-I13 PolarHBondContact O-N 2.95Å; F10-I13 PolarHBondContact O-N 2.64Å; I13-K15 PolarHBondContact O-N 3.22Å; I13-K16 PolarHBondContact O-N 3.44Å; I13-S17 VanDerWaalsContact O-CB 3.28Å; I13-S17 WeakPolarHBondContact O-CB 3.31Å; I13-S17 PolarHBondContact O-N 3.43Å; I13-S17 PolarHBondContact O-OG 3.36Å
14	Y	50.7	Low	49.3	Very low	153 Å²	153	104.3 Å²	104.3	60%	0.6	54%	0.54	S	S	*	.	H	α-helix	trans	-62.9	-42.9	178.1	-174.2	-97.8	0	0	0	112.3	F10 S17 N18	F10-Y14 WeakPolarHBondContact O-CB 3.23Å; F10-Y14 PolarHBondContact O-N 3.32Å; Y14-S17 PolarHBondContact O-N 2.82Å; Y14-N18 WeakPolarHBondContact O-CB 3.34Å; Y14-N18 PolarHBondContact O-N 2.86Å
15	K	46.7	Very low	49.9	Very low	171 Å²	171	101.6 Å²	101.6	74%	0.743	53%	0.529	S	S	*	.	H	α-helix	trans	-67.9	-36.3	178.1	-158.9	174.6	-172.9	-179.8	0	111.8	T11 I13 M19	T11-K15 WeakPolarHBondContact O-CB 3.37Å; T11-K15 PolarHBondContact O-N 3.04Å; I13-K15 PolarHBondContact O-N 3.22Å; K15-M19 PolarHBondContact O-N 3.29Å; K15-M19 VanDerWaalsContact O-N 3.14Å
16	K	47.4	Very low	50.3	Low	118 Å²	118	103.1 Å²	103.1	51%	0.513	53%	0.531	S	S	.	.	H	α-helix	trans	-74.1	-32.4	175	-151.7	174.1	-174.3	177.8	0	112.4	Y12 I13 M19 L20	Y12-K16 HydrophobicContact CE1-CD 4.35Å; Y12-K16 VanDerWaalsContact O-CB 3.29Å; Y12-K16 WeakPolarHBondContact O-CB 3.27Å; Y12-K16 PolarHBondContact O-N 3.03Å; I13-K16 PolarHBondContact O-N 3.44Å; K16-M19 PolarHBondContact O-N 3.15Å; K16-L20 WeakPolarHBondContact O-CB 3.19Å; K16-L20 PolarHBondContact O-N 2.89Å
17	S	45.9	Very low	50.9	Low	51 Å²	51	106.5 Å²	106.5	36%	0.357	54%	0.535	S	S	.	.	H	α-helix	trans	-68.6	-40.7	173.6	-55	0	0	0	0	112	I13 Y14 M19 L20 L21	I13-S17 VanDerWaalsContact O-CB 3.28Å; I13-S17 WeakPolarHBondContact O-CB 3.31Å; I13-S17 PolarHBondContact O-N 3.43Å; I13-S17 PolarHBondContact O-OG 3.36Å; Y14-S17 PolarHBondContact O-N 2.82Å; S17-M19 VanDerWaalsContact C-N 3.31Å; S17-M19 PolarHBondContact O-N 2.66Å; S17-L20 WeakPolarHBondContact O-CB 3.4Å; S17-L20 PolarHBondContact O-N 3.16Å; S17-L21 PolarHBondContact O-N 2.84Å
18	N	45.8	Very low	51	Low	84 Å²	84	105.8 Å²	105.8	45%	0.449	53%	0.532	S	S	.	.	H	α-helix	trans	-69.2	-31.3	175.8	-155.2	9.7	0	0	0	111.8	Y14 N22	Y14-N18 WeakPolarHBondContact O-CB 3.34Å; Y14-N18 PolarHBondContact O-N 2.86Å; N18-N22 WeakPolarHBondContact O-CB 3.21Å; N18-N22 PolarHBondContact O-N 2.97Å
19	M	51.3	Low	51.3	Low	127 Å²	127	109 Å²	109	63%	0.626	54%	0.541	S	S	*	.	H	α-helix	trans	-68.7	-41.2	170	-136.3	-160.7	119.6	0	0	111.9	K15 K16 S17 N22 V23	K15-M19 PolarHBondContact O-N 3.29Å; K15-M19 VanDerWaalsContact O-N 3.14Å; K16-M19 PolarHBondContact O-N 3.15Å; S17-M19 VanDerWaalsContact C-N 3.31Å; S17-M19 PolarHBondContact O-N 2.66Å; M19-N22 PolarHBondContact O-N 2.9Å; M19-V23 HydrophobicContact CE-CG2 4.2Å; M19-V23 WeakPolarHBondContact O-CB 3.26Å; M19-V23 VanDerWaalsContact O-CG2 3.23Å; M19-V23 WeakPolarHBondContact O-CG2 3.39Å; M19-V23 PolarHBondContact O-N 3.45Å
20	L	46.4	Very low	51.9	Low	118 Å²	118	111.2 Å²	111.2	62%	0.618	55%	0.549	S	S	*	.	H	α-helix	trans	-62.9	-39.4	173.6	-97.2	150.3	0	0	0	112.5	K16 S17 A24	K16-L20 WeakPolarHBondContact O-CB 3.19Å; K16-L20 PolarHBondContact O-N 2.89Å; S17-L20 WeakPolarHBondContact O-CB 3.4Å; S17-L20 PolarHBondContact O-N 3.16Å; L20-A24 WeakPolarHBondContact O-CB 3.49Å; L20-A24 PolarHBondContact O-N 3.01Å
21	L	48.3	Very low	52.7	Low	99 Å²	99	107.4 Å²	107.4	52%	0.518	54%	0.535	S	S	.	.	H	α-helix	trans	-65.5	-42.6	174.1	-92.7	146	0	0	0	112.3	S17 A24 H25	S17-L21 PolarHBondContact O-N 2.84Å; L21-A24 PolarHBondContact O-N 3.07Å; L21-H25 PolarHBondContact O-CD2 3.33Å; L21-H25 PolarHBondContact O-N 2.7Å
22	N	52.2	Low	53.2	Low	98 Å²	98	105.8 Å²	105.8	52%	0.524	53%	0.53	S	S	.	.	H	α-helix	trans	-70.1	-36.5	176.7	-97.2	-28.5	0	0	0	113.3	N18 M19 K26	N18-N22 WeakPolarHBondContact O-CB 3.21Å; N18-N22 PolarHBondContact O-N 2.97Å; M19-N22 PolarHBondContact O-N 2.9Å; N22-K26 WeakPolarHBondContact O-CG 3.34Å; N22-K26 PolarHBondContact O-N 3.47Å
23	V	52.5	Low	53.8	Low	64 Å²	64	101.3 Å²	101.3	39%	0.388	52%	0.524	S	S	.	.	H	α-helix	trans	-70.9	-41.9	174	172.8	0	0	0	0	110.1	M19 H25 K26 E27	M19-V23 HydrophobicContact CE-CG2 4.2Å; M19-V23 WeakPolarHBondContact O-CB 3.26Å; M19-V23 VanDerWaalsContact O-CG2 3.23Å; M19-V23 WeakPolarHBondContact O-CG2 3.39Å; M19-V23 PolarHBondContact O-N 3.45Å; V23-H25 VanDerWaalsContact C-N 3.35Å; V23-H25 PolarHBondContact O-N 3.49Å; V23-K26 PolarHBondContact O-N 2.97Å; V23-K26 VanDerWaalsContact O-N 3.15Å; V23-E27 HydrophobicContact CG1-CG 4.05Å; V23-E27 WeakPolarHBondContact O-CB 3.5Å; V23-E27 WeakPolarHBondContact O-CG 3.3Å; V23-E27 PolarHBondContact O-N 3.08Å
24	A	50.8	Low	54.8	Low	53 Å²	53	101.8 Å²	101.8	44%	0.438	53%	0.526	S	S	.	.	H	α-helix	trans	-61.2	-40	175.6	0	0	0	0	0	112.2	L20 L21 L28	L20-A24 WeakPolarHBondContact O-CB 3.49Å; L20-A24 PolarHBondContact O-N 3.01Å; L21-A24 PolarHBondContact O-N 3.07Å; A24-L28 VanDerWaalsContact O-CB 3.3Å; A24-L28 WeakPolarHBondContact O-CB 3.42Å; A24-L28 PolarHBondContact O-N 3.17Å
25	H	55.9	Low	55.7	Low	110 Å²	110	100 Å²	100	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-66.4	-37	174	-80.4	-56.1	0	0	0	113.2	L21 V23 L29	L21-H25 PolarHBondContact O-CD2 3.33Å; L21-H25 PolarHBondContact O-N 2.7Å; V23-H25 VanDerWaalsContact C-N 3.35Å; V23-H25 PolarHBondContact O-N 3.49Å; H25-L29 WeakPolarHBondContact O-CB 3.36Å; H25-L29 WeakPolarHBondContact O-CD1 3.35Å; H25-L29 WeakPolarHBondContact O-CG 3.49Å; H25-L29 PolarHBondContact O-N 3.21Å
26	K	53.6	Low	56.7	Low	148 Å²	148	95.5 Å²	95.5	64%	0.643	51%	0.506	S	S	*	.	H	α-helix	trans	-69.6	-44.2	175.5	-75.9	-178.8	179.9	-176.4	0	111.8	N22 V23 L29 L30	N22-K26 WeakPolarHBondContact O-CG 3.34Å; N22-K26 PolarHBondContact O-N 3.47Å; V23-K26 PolarHBondContact O-N 2.97Å; V23-K26 VanDerWaalsContact O-N 3.15Å; K26-L29 PolarHBondContact O-N 3.25Å; K26-L30 WeakPolarHBondContact O-CB 3.44Å; K26-L30 PolarHBondContact O-N 2.88Å
27	E	56	Low	57.8	Low	117 Å²	117	93 Å²	93	55%	0.547	50%	0.503	S	S	.	.	H	α-helix	trans	-60.1	-45.1	173.7	-70.3	-92.2	149.9	0	0	110.6	V23 L29 L30 I31	V23-E27 HydrophobicContact CG1-CG 4.05Å; V23-E27 WeakPolarHBondContact O-CB 3.5Å; V23-E27 WeakPolarHBondContact O-CG 3.3Å; V23-E27 PolarHBondContact O-N 3.08Å; E27-L29 VanDerWaalsContact C-N 3.35Å; E27-L29 PolarHBondContact O-N 2.96Å; E27-L30 PolarHBondContact O-N 2.99Å; E27-I31 VanDerWaalsContact O-CB 3.25Å; E27-I31 WeakPolarHBondContact O-CB 3.48Å; E27-I31 WeakPolarHBondContact O-CD1 3.27Å; E27-I31 WeakPolarHBondContact O-CG1 3.42Å; E27-I31 PolarHBondContact O-N 2.93Å
28	L	56.8	Low	58.9	Low	100 Å²	100	92.5 Å²	92.5	52%	0.524	50%	0.502	S	S	.	.	H	α-helix	trans	-63.3	-39.9	177.3	-139.5	89.9	0	0	0	112.1	A24 A32	A24-L28 VanDerWaalsContact O-CB 3.3Å; A24-L28 WeakPolarHBondContact O-CB 3.42Å; A24-L28 PolarHBondContact O-N 3.17Å; L28-A32 WeakPolarHBondContact O-CB 3.37Å; L28-A32 PolarHBondContact O-N 3.33Å
29	L	57.5	Low	60	Low	124 Å²	124	89.6 Å²	89.6	65%	0.649	49%	0.492	S	S	*	.	H	α-helix	trans	-67	-39.5	174.7	-82.9	164	0	0	0	111.8	H25 K26 E27 A32 A33	H25-L29 WeakPolarHBondContact O-CB 3.36Å; H25-L29 WeakPolarHBondContact O-CD1 3.35Å; H25-L29 WeakPolarHBondContact O-CG 3.49Å; H25-L29 PolarHBondContact O-N 3.21Å; K26-L29 PolarHBondContact O-N 3.25Å; E27-L29 VanDerWaalsContact C-N 3.35Å; E27-L29 PolarHBondContact O-N 2.96Å; L29-A32 PolarHBondContact O-N 3.41Å; L29-A33 VanDerWaalsContact O-CB 3.28Å; L29-A33 WeakPolarHBondContact O-CB 3.39Å; L29-A33 PolarHBondContact O-N 3.08Å
30	L	62.1	Low	61	Low	119 Å²	119	88.6 Å²	88.6	62%	0.623	49%	0.488	S	S	*	.	H	α-helix	trans	-69.3	-41.9	178.5	-138.6	117	0	0	0	111	K26 E27 A33 L34	K26-L30 WeakPolarHBondContact O-CB 3.44Å; K26-L30 PolarHBondContact O-N 2.88Å; E27-L30 PolarHBondContact O-N 2.99Å; L30-A33 PolarHBondContact O-N 2.9Å; L30-L34 HydrophobicContact CD2-CD1 4.33Å; L30-L34 WeakPolarHBondContact O-CB 3.39Å; L30-L34 PolarHBondContact O-N 3.22Å
31	I	64.3	Low	62	Low	75 Å²	75	87.9 Å²	87.9	39%	0.385	49%	0.485	S	S	.	.	H	α-helix	trans	-64	-45.5	174.1	-71.3	168.3	0	0	0	109.8	E27 A33 L34 F35	E27-I31 VanDerWaalsContact O-CB 3.25Å; E27-I31 WeakPolarHBondContact O-CB 3.48Å; E27-I31 WeakPolarHBondContact O-CD1 3.27Å; E27-I31 WeakPolarHBondContact O-CG1 3.42Å; E27-I31 PolarHBondContact O-N 2.93Å; I31-A33 VanDerWaalsContact C-N 3.33Å; I31-A33 PolarHBondContact O-N 2.97Å; I31-L34 PolarHBondContact O-N 2.66Å; I31-F35 HydrophobicContact CG2-CD2 3.47Å; I31-F35 VanDerWaalsContact CG2-CD2 3.47Å; I31-F35 HydrophobicContact CG2-CE2 3.35Å; I31-F35 WeakPolarHBondContact O-CD2 3.32Å; I31-F35 PolarHBondContact O-N 2.93Å
32	A	61.6	Low	63.1	Low	48 Å²	48	87.3 Å²	87.3	40%	0.397	48%	0.481	S	S	.	.	H	α-helix	trans	-60.7	-41.7	174.7	0	0	0	0	0	111.9	L28 L29 F35 L36	L28-A32 WeakPolarHBondContact O-CB 3.37Å; L28-A32 PolarHBondContact O-N 3.33Å; L29-A32 PolarHBondContact O-N 3.41Å; A32-F35 PolarHBondContact O-N 2.86Å; A32-L36 VanDerWaalsContact O-CB 3.3Å; A32-L36 WeakPolarHBondContact O-CB 3.48Å; A32-L36 PolarHBondContact O-N 3.35Å
33	A	68.4	Low	63.6	Low	55 Å²	55	86.5 Å²	86.5	46%	0.455	48%	0.483	S	S	.	.	H	α-helix	trans	-67.3	-37.1	175.9	0	0	0	0	0	112.8	L29 L30 I31 L36 S37	L29-A33 VanDerWaalsContact O-CB 3.28Å; L29-A33 WeakPolarHBondContact O-CB 3.39Å; L29-A33 PolarHBondContact O-N 3.08Å; L30-A33 PolarHBondContact O-N 2.9Å; I31-A33 VanDerWaalsContact C-N 3.33Å; I31-A33 PolarHBondContact O-N 2.97Å; A33-L36 PolarHBondContact O-N 3.31Å; A33-S37 WeakPolarHBondContact O-CB 3.32Å; A33-S37 PolarHBondContact O-N 2.98Å; A33-S37 PolarHBondContact O-OG 3.35Å; A33-S37 VanDerWaalsContact O-OG 3.04Å
34	L	75.9	Confident	64.7	Low	105 Å²	105	89.9 Å²	89.9	55%	0.55	49%	0.49	S	S	.	.	H	α-helix	trans	-66.1	-42.9	173.5	-102.7	157.3	0	0	0	111.8	L30 I31 S37 A38	L30-L34 HydrophobicContact CD2-CD1 4.33Å; L30-L34 WeakPolarHBondContact O-CB 3.39Å; L30-L34 PolarHBondContact O-N 3.22Å; I31-L34 PolarHBondContact O-N 2.66Å; L34-S37 WeakPolarHBondContact CA-OG 3.43Å; L34-S37 PolarHBondContact O-N 3.24Å; L34-S37 PolarHBondContact O-OG 3.48Å; L34-A38 WeakPolarHBondContact O-CB 3.4Å; L34-A38 PolarHBondContact O-N 3.37Å
35	F	69.8	Low	65.5	Low	115 Å²	115	91.5 Å²	91.5	50%	0.504	49%	0.49	S	S	.	.	H	α-helix	trans	-69.2	-36.1	175.6	-79.8	-63.4	0	0	0	112.2	I31 A32 G39	I31-F35 HydrophobicContact CG2-CD2 3.47Å; I31-F35 VanDerWaalsContact CG2-CD2 3.47Å; I31-F35 HydrophobicContact CG2-CE2 3.35Å; I31-F35 WeakPolarHBondContact O-CD2 3.32Å; I31-F35 PolarHBondContact O-N 2.93Å; A32-F35 PolarHBondContact O-N 2.86Å; F35-G39 PolarHBondContact O-N 3.49Å
36	L	67.9	Low	65.8	Low	78 Å²	78	94.9 Å²	94.9	41%	0.408	50%	0.499	S	S	.	.	H	α-helix	trans	-61.8	-47.9	172.1	-103.2	148.9	0	0	0	111.6	A32 A33 G39 L40 F560	A32-L36 VanDerWaalsContact O-CB 3.3Å; A32-L36 WeakPolarHBondContact O-CB 3.48Å; A32-L36 PolarHBondContact O-N 3.35Å; A33-L36 PolarHBondContact O-N 3.31Å; L36-G39 PolarHBondContact O-N 2.9Å; L36-L40 WeakPolarHBondContact O-CB 3.29Å; L36-L40 VanDerWaalsContact O-CG 3.31Å; L36-L40 WeakPolarHBondContact O-CG 3.37Å; L36-L40 PolarHBondContact O-N 3.45Å; L36-F560 HydrophobicContact CD2-CE1 3.94Å; L36-F560 HydrophobicContact CD2-CE2 3.74Å; L36-F560 HydrophobicContact CD2-CZ 3.2Å; L36-F560 HydrophobicContact CG-CE2 4.39Å; L36-F560 HydrophobicContact CG-CZ 3.79Å
37	S	71.3	Confident	66.3	Low	65 Å²	65	94.6 Å²	94.6	46%	0.455	50%	0.498	S	S	.	.	H	α-helix	trans	-69.4	-40.8	-179.6	61.1	0	0	0	0	112.2	A33 L34 L40 L41	A33-S37 WeakPolarHBondContact O-CB 3.32Å; A33-S37 PolarHBondContact O-N 2.98Å; A33-S37 PolarHBondContact O-OG 3.35Å; A33-S37 VanDerWaalsContact O-OG 3.04Å; L34-S37 WeakPolarHBondContact CA-OG 3.43Å; L34-S37 PolarHBondContact O-N 3.24Å; L34-S37 PolarHBondContact O-OG 3.48Å; S37-L40 PolarHBondContact O-N 3.13Å; S37-L41 WeakPolarHBondContact O-CB 3.45Å; S37-L41 PolarHBondContact O-N 3.01Å
38	A	69.6	Low	66.5	Low	40 Å²	40	92.3 Å²	92.3	33%	0.331	49%	0.492	S	S	.	.	H	α-helix	trans	-63.9	-40.6	173.3	0	0	0	0	0	112.2	L34 L41 I42	L34-A38 WeakPolarHBondContact O-CB 3.4Å; L34-A38 PolarHBondContact O-N 3.37Å; A38-L41 PolarHBondContact O-N 2.88Å; A38-I42 WeakPolarHBondContact O-CB 3.31Å; A38-I42 VanDerWaalsContact O-CG1 3.27Å; A38-I42 WeakPolarHBondContact O-CG1 3.43Å; A38-I42 PolarHBondContact O-N 2.9Å
39	G	67.2	Low	66.3	Low	23 Å²	23	95.7 Å²	95.7	24%	0.237	50%	0.504	C	S	.	.	H	α-helix	trans	-62.8	-42.9	175.5	0	0	0	0	0	112.7	F35 L36 S43	F35-G39 PolarHBondContact O-N 3.49Å; L36-G39 PolarHBondContact O-N 2.9Å; G39-S43 WeakPolarHBondContact O-CB 3.31Å; G39-S43 PolarHBondContact O-N 2.87Å
40	L	72.4	Confident	65.8	Low	106 Å²	106	92.6 Å²	92.6	56%	0.555	50%	0.502	S	S	*	.	H	α-helix	trans	-64	-42.3	174	-73.7	168.6	0	0	0	111.8	L36 S37 S43 Y44	L36-L40 WeakPolarHBondContact O-CB 3.29Å; L36-L40 VanDerWaalsContact O-CG 3.31Å; L36-L40 WeakPolarHBondContact O-CG 3.37Å; L36-L40 PolarHBondContact O-N 3.45Å; S37-L40 PolarHBondContact O-N 3.13Å; L40-S43 PolarHBondContact O-N 2.74Å; L40-Y44 WeakPolarHBondContact O-CB 3.43Å; L40-Y44 PolarHBondContact O-N 3.2Å
41	L	68.7	Low	65	Low	103 Å²	103	92.8 Å²	92.8	54%	0.539	50%	0.5	S	S	.	.	H	α-helix	trans	-65.7	-43.5	179.4	-170.5	71.3	0	0	0	112.1	S37 A38 Y44 I45	S37-L41 WeakPolarHBondContact O-CB 3.45Å; S37-L41 PolarHBondContact O-N 3.01Å; A38-L41 PolarHBondContact O-N 2.88Å; L41-Y44 WeakPolarHBondContact O-CB 3.43Å; L41-Y44 PolarHBondContact O-N 2.82Å; L41-I45 HydrophobicContact CG-CD1 4.11Å; L41-I45 VanDerWaalsContact O-CG1 3.27Å; L41-I45 WeakPolarHBondContact O-CG1 3.13Å; L41-I45 PolarHBondContact O-N 3.27Å
42	I	70.3	Confident	64.1	Low	88 Å²	88	99.8 Å²	99.8	45%	0.451	53%	0.528	S	S	.	.	H	α-helix	trans	-67	-39.5	177.6	-67.9	166.4	0	0	0	110.6	A38 Y44 I45 R46	A38-I42 WeakPolarHBondContact O-CB 3.31Å; A38-I42 VanDerWaalsContact O-CG1 3.27Å; A38-I42 WeakPolarHBondContact O-CG1 3.43Å; A38-I42 PolarHBondContact O-N 2.9Å; I42-Y44 VanDerWaalsContact C-N 3.33Å; I42-I45 PolarHBondContact O-N 3.16Å; I42-R46 WeakPolarHBondContact O-CB 3.31Å; I42-R46 PolarHBondContact O-N 2.93Å
43	S	64	Low	63.3	Low	80 Å²	80	103.4 Å²	103.4	56%	0.559	54%	0.539	S	S	*	.	H	α-helix	trans	-63.4	-40.5	174.7	-168.4	0	0	0	0	111.7	G39 L40 R46 F47	G39-S43 WeakPolarHBondContact O-CB 3.31Å; G39-S43 PolarHBondContact O-N 2.87Å; L40-S43 PolarHBondContact O-N 2.74Å; S43-R46 PolarHBondContact O-N 3.21Å; S43-F47 WeakPolarHBondContact O-CB 3.36Å; S43-F47 PolarHBondContact O-N 2.96Å
44	Y	75.2	Confident	62.1	Low	136 Å²	136	104.5 Å²	104.5	53%	0.533	54%	0.544	S	S	.	.	H	α-helix	trans	-63.2	-47.5	173.7	176.3	-100.1	0	0	0	112.4	L40 L41 I42 R46 F47 V48	L40-Y44 WeakPolarHBondContact O-CB 3.43Å; L40-Y44 PolarHBondContact O-N 3.2Å; L41-Y44 WeakPolarHBondContact O-CB 3.43Å; L41-Y44 PolarHBondContact O-N 2.82Å; I42-Y44 VanDerWaalsContact C-N 3.33Å; Y44-R46 VanDerWaalsContact C-N 3.28Å; Y44-R46 PolarHBondContact O-N 2.84Å; Y44-F47 WeakPolarHBondContact O-CB 3.18Å; Y44-F47 PolarHBondContact O-N 2.8Å; Y44-F47 VanDerWaalsContact O-N 3.14Å; Y44-V48 HydrophobicContact CD1-CG2 4.28Å; Y44-V48 HydrophobicContact CD2-CG2 4.22Å; Y44-V48 HydrophobicContact CE1-CG2 3.91Å; Y44-V48 HydrophobicContact CE2-CG2 3.85Å; Y44-V48 HydrophobicContact CG-CG2 4.43Å; Y44-V48 WeakPolarHBondContact O-CG2 3.43Å; Y44-V48 PolarHBondContact O-N 2.95Å
45	I	68.3	Low	60.3	Low	86 Å²	86	105.2 Å²	105.2	44%	0.441	55%	0.552	S	S	.	*	H	α-helix	trans	-59.9	-40.7	178.3	-69.6	164.8	0	0	0	110.8	L41 I42 V48 H49	L41-I45 HydrophobicContact CG-CD1 4.11Å; L41-I45 VanDerWaalsContact O-CG1 3.27Å; L41-I45 WeakPolarHBondContact O-CG1 3.13Å; L41-I45 PolarHBondContact O-N 3.27Å; I42-I45 PolarHBondContact O-N 3.16Å; I45-V48 PolarHBondContact O-N 3.25Å; I45-H49 WeakPolarHBondContact O-CB 3.29Å; I45-H49 PolarHBondContact O-N 2.98Å
46	R	61.5	Low	59.1	Low	182 Å²	182	104 Å²	104	69%	0.687	56%	0.558	S	S	*	*	H	α-helix	trans	-70	-34.4	177.6	-139.5	180	-168.3	170.7	3.9	112.6	I42 S43 Y44 G50	I42-R46 WeakPolarHBondContact O-CB 3.31Å; I42-R46 PolarHBondContact O-N 2.93Å; S43-R46 PolarHBondContact O-N 3.21Å; Y44-R46 VanDerWaalsContact C-N 3.28Å; Y44-R46 PolarHBondContact O-N 2.84Å; R46-G50 PolarHBondContact O-N 2.86Å
47	F	63.3	Low	58	Low	141 Å²	141	106.6 Å²	106.6	62%	0.618	57%	0.568	S	S	*	*	H	α-helix	trans	-68.4	-41.3	174.8	-177.1	-99.2	0	0	0	111.8	S43 Y44 G50	S43-F47 WeakPolarHBondContact O-CB 3.36Å; S43-F47 PolarHBondContact O-N 2.96Å; Y44-F47 WeakPolarHBondContact O-CB 3.18Å; Y44-F47 PolarHBondContact O-N 2.8Å; Y44-F47 VanDerWaalsContact O-N 3.14Å; F47-G50 PolarHBondContact O-N 2.92Å
48	V	59.8	Low	56.9	Low	70 Å²	70	109.2 Å²	109.2	42%	0.424	58%	0.576	S	S	.	*	H	α-helix	trans	-71.4	-38.9	177.5	173.9	0	0	0	0	111.8	Y44 I45 G50 H51	Y44-V48 HydrophobicContact CD1-CG2 4.28Å; Y44-V48 HydrophobicContact CD2-CG2 4.22Å; Y44-V48 HydrophobicContact CE1-CG2 3.91Å; Y44-V48 HydrophobicContact CE2-CG2 3.85Å; Y44-V48 HydrophobicContact CG-CG2 4.43Å; Y44-V48 WeakPolarHBondContact O-CG2 3.43Å; Y44-V48 PolarHBondContact O-N 2.95Å; I45-V48 PolarHBondContact O-N 3.25Å; V48-G50 PolarHBondContact O-N 3.09Å; V48-H51 PolarHBondContact O-N 2.93Å
49	H	52.7	Low	55.7	Low	170 Å²	170	112.1 Å²	112.1	79%	0.787	59%	0.589	S	S	*	*	H	α-helix	trans	-67.1	-16.6	174.5	-104.1	73.5	0	0	0	113.8	I45	I45-H49 WeakPolarHBondContact O-CB 3.29Å; I45-H49 PolarHBondContact O-N 2.98Å
50	G	48.2	Very low	54.5	Low	59 Å²	59	120.4 Å²	120.4	61%	0.608	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-12.8	177.2	0	0	0	0	0	115.2	R46 F47 V48	R46-G50 PolarHBondContact O-N 2.86Å; F47-G50 PolarHBondContact O-N 2.92Å; V48-G50 PolarHBondContact O-N 3.09Å
51	H	45.5	Very low	53.2	Low	124 Å²	124	121.7 Å²	121.7	57%	0.574	62%	0.616	S	S	*	*	S	Bend	trans	-136	119.2	-176	-83.8	-68.9	0	0	0	112	V48 L53	V48-H51 PolarHBondContact O-N 2.93Å; H51-L53 HydrophobicContact CB-CD1 4.3Å; H51-L53 PolarHBondContact O-N 3Å; H51-L53 VanDerWaalsContact O-N 3.16Å
52	K	45.5	Very low	51.9	Low	222 Å²	222	120.6 Å²	120.6	97%	0.965	62%	0.615	S	S	*	*			trans	-65.7	108.5	164.6	-82.1	-176.4	175.9	179.5	0	109.1
53	L	43.3	Very low	50.4	Low	123 Å²	123	122.5 Å²	122.5	64%	0.644	63%	0.626	S	S	*	*			trans	-130.6	142.2	172.2	-95.8	149.9	0	0	0	110.8	H51	H51-L53 HydrophobicContact CB-CD1 4.3Å; H51-L53 PolarHBondContact O-N 3Å; H51-L53 VanDerWaalsContact O-N 3.16Å
54	S	42.9	Very low	49.5	Very low	79 Å²	79	121.6 Å²	121.6	55%	0.552	62%	0.62	S	S	*	*			trans	-78.1	157.4	-166.3	73.9	0	0	0	0	113.9	S56	S54-S56 PolarHBondContact O-N 3.46Å
55	V	40	Very low	48	Very low	119 Å²	119	120.4 Å²	120.4	72%	0.721	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-61.9	-9.8	-166.7	178.9	0	0	0	0	114.8
56	S	43	Very low	46.6	Very low	91 Å²	91	122.4 Å²	122.4	64%	0.636	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-83.2	-10.7	-177	67.1	0	0	0	0	115.5	S54	S54-S56 PolarHBondContact O-N 3.46Å
57	Q	44.6	Very low	45.6	Very low	131 Å²	131	118.3 Å²	118.3	61%	0.612	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-95.5	-6.2	177.4	-71.2	-178.9	-16.8	0	0	114	V59	Q57-V59 VanDerWaalsContact C-N 3.33Å; Q57-V59 PolarHBondContact O-N 2.83Å
58	I	49.9	Very low	44.7	Very low	121 Å²	121	115.7 Å²	115.7	62%	0.621	64%	0.636	S	S	*	*	S	Bend	trans	-76.4	-21.7	-174.8	-61.1	176.5	0	0	0	112
59	V	44.5	Very low	43.8	Very low	100 Å²	100	118.1 Å²	118.1	61%	0.606	65%	0.646	S	S	*	*	S	Bend	trans	-95.7	-17	-170.6	-176.2	0	0	0	0	113.7	Q57	Q57-V59 VanDerWaalsContact C-N 3.33Å; Q57-V59 PolarHBondContact O-N 2.83Å
60	Y	40.5	Very low	43.1	Very low	197 Å²	197	115.9 Å²	115.9	77%	0.773	65%	0.646	S	S	*	*	S	Bend	trans	-99.7	-4.2	-173.8	-84.5	-77.3	0	0	0	116.2
61	F	44.9	Very low	42.8	Very low	133 Å²	133	120.8 Å²	120.8	58%	0.583	66%	0.658	S	S	*	*	S	Bend	trans	-91.4	-31.2	-177.1	-152.3	-106.2	0	0	0	115.6	L63 S64 I65	F61-L63 PolarHBondContact O-N 3.42Å; F61-S64 PolarHBondContact O-OG 2.84Å; F61-S64 VanDerWaalsContact O-OG 3.13Å; F61-I65 HydrophobicContact CD1-CD1 4.2Å; F61-I65 HydrophobicContact CE1-CD1 3.85Å
62	P	42.4	Very low	42.4	Very low	80 Å²	80	120.9 Å²	120.9	52%	0.519	67%	0.667	S	S	.	*	H	α-helix	trans	-69.2	-23.4	175.4	-15.8	29.5	0	0	0	113
63	L	38.8	Very low	41.8	Very low	128 Å²	128	119.8 Å²	119.8	67%	0.67	66%	0.662	S	S	*	*	H	α-helix	trans	-83.1	-18.9	-179.1	-88.2	103.9	0	0	0	114.6	F61	F61-L63 PolarHBondContact O-N 3.42Å
64	S	43.8	Very low	41.5	Very low	62 Å²	62	122 Å²	122	43%	0.434	67%	0.669	S	S	.	*	H	α-helix	trans	-85.5	-16.9	178.6	60	0	0	0	0	113.5	F61 S67	F61-S64 PolarHBondContact O-OG 2.84Å; F61-S64 VanDerWaalsContact O-OG 3.13Å; S64-S67 PolarHBondContact O-OG 2.88Å
65	I	44.5	Very low	41.1	Very low	111 Å²	111	126.9 Å²	126.9	57%	0.569	68%	0.68	S	S	*	*	H	α-helix	trans	-88.6	-23.7	178.2	-64.6	175.4	0	0	0	111.3	F61	F61-I65 HydrophobicContact CD1-CD1 4.2Å; F61-I65 HydrophobicContact CE1-CD1 3.85Å
66	L	38	Very low	40.7	Very low	127 Å²	127	129.1 Å²	129.1	67%	0.665	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-83.7	-8.7	176.4	-78.7	162.3	0	0	0	114.1	L69	L66-L69 HydrophobicContact CD2-CD1 4.45Å
67	S	41.1	Very low	40.1	Very low	97 Å²	97	130.4 Å²	130.4	68%	0.678	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-90.7	-2.2	178.1	62.2	0	0	0	0	114.5	S64	S64-S67 PolarHBondContact O-OG 2.88Å
68	A	45.7	Very low	39.6	Very low	86 Å²	86	133.3 Å²	133.3	71%	0.711	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-95	5.7	178.2	0	0	0	0	0	114
69	L	40	Very low	38.6	Very low	121 Å²	121	134.4 Å²	134.4	63%	0.634	72%	0.719	S	S	*	*	S	Bend	trans	-94.9	126.9	176.4	-73.1	165.2	0	0	0	110.6	L66 L71	L66-L69 HydrophobicContact CD2-CD1 4.45Å; L69-L71 VanDerWaalsContact C-N 3.28Å; L69-L71 PolarHBondContact O-N 3.2Å
70	P	37.2	Very low	37.9	Very low	122 Å²	122	134.7 Å²	134.7	79%	0.792	73%	0.732	S	S	*	*	S	Bend	trans	-82.4	69.4	-176.7	33.9	-33.5	0	0	0	110.4
71	L	42.7	Very low	37.5	Very low	162 Å²	162	128.7 Å²	128.7	85%	0.848	72%	0.723	S	S	*	*			trans	-170.8	44.8	170.1	-110.1	158.2	0	0	0	115.1	L69	L69-L71 VanDerWaalsContact C-N 3.28Å; L69-L71 PolarHBondContact O-N 3.2Å
72	V	36.2	Very low	36.7	Very low	127 Å²	127	131.3 Å²	131.3	77%	0.77	74%	0.737	S	S	*	*			trans	-145.6	76.3	159.4	-168.7	0	0	0	0	110.2
73	K	33	Very low	36.1	Very low	199 Å²	199	133.1 Å²	133.1	87%	0.865	75%	0.751	S	S	*	*			trans	-100.6	91.9	156.1	-83.2	-176.2	176.6	178.9	0	106.3
74	H	37.5	Very low	35.7	Very low	169 Å²	169	130.4 Å²	130.4	78%	0.782	74%	0.743	S	S	*	*	S	Bend	trans	-177.6	5.8	150.6	-100.9	22.5	0	0	0	117.2
75	F	34.8	Very low	35	Very low	181 Å²	181	134.6 Å²	134.6	79%	0.794	75%	0.753	S	S	*	*			trans	-141.8	101.8	174.7	-72.2	-82.4	0	0	0	110.7
76	I	32.3	Very low	34.3	Very low	166 Å²	166	138.3 Å²	138.3	85%	0.851	77%	0.765	S	S	*	*			trans	171.2	133.5	130.7	-81.2	153	0	0	0	108.9
77	P	29.4	Very low	33.9	Very low	119 Å²	119	135.5 Å²	135.5	77%	0.773	76%	0.761	S	S	*	*			trans	-83.5	153.7	-168.4	-4.3	24.5	0	0	0	114
78	Q	33.5	Very low	33.5	Very low	192 Å²	192	137.4 Å²	137.4	90%	0.897	76%	0.759	S	S	*	*			trans	-72.9	128.3	172.7	-70.1	173.3	-21.5	0	0	111.7
79	T	29.3	Very low	32.6	Very low	144 Å²	144	141.3 Å²	141.3	88%	0.883	76%	0.76	S	S	*	*			trans	-157.1	150.9	145.4	34.5	0	0	0	0	111.1
80	A	29.6	Very low	32	Very low	106 Å²	106	144 Å²	144	88%	0.876	77%	0.766	S	S	*	*			trans	84.1	66.2	178.4	0	0	0	0	0	117.5
81	A	31.7	Very low	31.6	Very low	70 Å²	70	146.5 Å²	146.5	58%	0.579	77%	0.765	S	S	*	*			trans	-138.7	55.9	165.8	0	0	0	0	0	112.7
82	E	29	Very low	31	Very low	189 Å²	189	143.3 Å²	143.3	88%	0.883	75%	0.752	S	S	*	*	S	Bend	trans	-133.5	-6.2	174	-74.9	-166.1	151.5	0	0	116.9
83	S	28.9	Very low	30.5	Very low	117 Å²	117	145.4 Å²	145.4	82%	0.818	75%	0.753	S	S	*	*	S	Bend	trans	-97.9	-13	177.8	76.4	0	0	0	0	115.6
84	S	31.1	Very low	30.4	Very low	71 Å²	71	145.5 Å²	145.5	50%	0.497	75%	0.754	S	S	.	*	S	Bend	trans	-88.3	-21.6	-176.5	55.4	0	0	0	0	114.9	K86 A87	S84-K86 VanDerWaalsContact C-N 3.35Å; S84-K86 PolarHBondContact O-N 2.88Å; S84-A87 PolarHBondContact O-N 2.87Å
85	K	29.8	Very low	30.4	Very low	150 Å²	150	142.3 Å²	142.3	65%	0.652	75%	0.751	S	S	*	*	H	α-helix	trans	-73.7	-16.9	-173.9	-72.4	-178.5	178.5	172.2	0	115.1
86	K	28.9	Very low	30.4	Very low	189 Å²	189	142.6 Å²	142.6	82%	0.822	75%	0.752	S	S	*	*	H	α-helix	trans	-85.9	-22.9	175.8	-86	-177.7	176.7	175.8	0	113.5	S84	S84-K86 VanDerWaalsContact C-N 3.35Å; S84-K86 PolarHBondContact O-N 2.88Å
87	A	30.5	Very low	30.8	Very low	69 Å²	69	145.6 Å²	145.6	57%	0.57	75%	0.752	S	S	*	*	H	α-helix	trans	-82.7	-32.1	179	0	0	0	0	0	112.8	S84	S84-A87 PolarHBondContact O-N 2.87Å
88	E	31.5	Very low	31.6	Very low	137 Å²	137	145.2 Å²	145.2	64%	0.64	75%	0.748	S	S	*	*	H	α-helix	trans	-73.6	-34.5	176	-88.9	-179.7	147.2	0	0	113.4	K90 K91 T92	E88-K90 VanDerWaalsContact C-N 3.33Å; E88-K90 PolarHBondContact O-N 3Å; E88-K91 PolarHBondContact O-N 3.49Å; E88-T92 PolarHBondContact O-N 2.74Å; E88-T92 PolarHBondContact O-OG1 3.07Å
89	K	27.7	Very low	32.8	Very low	167 Å²	167	138 Å²	138	73%	0.726	71%	0.712	S	S	*	*	H	α-helix	trans	-63.1	-35.8	177.6	-101.5	-177.2	174.1	-176.6	0	113
90	K	26.9	Very low	34	Very low	177 Å²	177	141.9 Å²	141.9	77%	0.77	71%	0.711	S	S	*	*	H	α-helix	trans	-75.5	-21	178.4	-98.4	-176	175.5	-179	0	114.8	E88	E88-K90 VanDerWaalsContact C-N 3.33Å; E88-K90 PolarHBondContact O-N 3Å
91	K	30.1	Very low	35.1	Very low	176 Å²	176	142.9 Å²	142.9	77%	0.765	69%	0.692	S	S	*	*	H	α-helix	trans	-87.6	-22.8	174.1	-83.8	-175.3	174.9	-179.6	0	113.1	E88	E88-K91 PolarHBondContact O-N 3.49Å
92	T	28.3	Very low	35.9	Very low	95 Å²	95	142.7 Å²	142.7	58%	0.583	69%	0.69	S	S	*	*	H	α-helix	trans	-82.5	-18.7	-175	-44.4	0	0	0	0	113.3	E88	E88-T92 PolarHBondContact O-N 2.74Å; E88-T92 PolarHBondContact O-OG1 3.07Å
93	E	27.5	Very low	36.4	Very low	170 Å²	170	141.6 Å²	141.6	79%	0.794	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-82.4	-18.2	177.3	-82.2	-180	160.8	0	0	114.6
94	K	30.5	Very low	36.7	Very low	202 Å²	202	141 Å²	141	88%	0.878	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-88.6	-0.2	-179.4	-82.3	-172	174.2	-173.9	0	115.1
95	S	36.5	Very low	36.8	Very low	102 Å²	102	146.7 Å²	146.7	71%	0.713	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-116.5	22	-172.3	-169.9	0	0	0	0	115.1
96	K	34.7	Very low	36.9	Very low	187 Å²	187	144.8 Å²	144.8	81%	0.813	70%	0.703	S	S	*	*			trans	-116.5	71.2	173.2	-76.3	-174.1	178	-179.1	0	110
97	R	42.1	Very low	36.9	Very low	228 Å²	228	140.9 Å²	140.9	86%	0.86	70%	0.699	S	S	*	*			trans	-106.2	109	159.6	-90	-178.1	167.3	178.9	-4.9	107.3	R99	R97-R99 PolarHBondContact O-N 3.26Å
98	T	46.4	Very low	36.9	Very low	112 Å²	112	144.6 Å²	144.6	69%	0.687	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-63	127.1	168.1	-46.2	0	0	0	0	107.7	R100	T98-R100 PolarHBondContact O-N 2.97Å
99	R	58.1	Low	36.9	Very low	40 Å²	40	143.1 Å²	143.1	15%	0.151	72%	0.72	C	S	.	*	P	Polyproline II helix	trans	-59.8	123.3	178.6	-171.9	-170.4	165.7	-164.4	-6.3	108.3	R97 T259 A276 G277 Y440	R97-R99 PolarHBondContact O-N 3.26Å; R99-T259 PolarHBondContact NH2-O 2.93Å; R99-A276 VanDerWaalsContact CZ-O 3.3Å; R99-A276 PolarHBondContact NH1-O 3.14Å; R99-A276 PolarHBondContact NH2-O 3.05Å; R99-G277 VanDerWaalsContact NH1-C 3.34Å; R99-G277 PolarHBondContact NH1-O 3.31Å; R99-Y440 HydrophobicContact CB-CD1 3.7Å; R99-Y440 HydrophobicContact CB-CG 4.46Å; R99-Y440 HydrophobicContact CG-CD1 3.42Å; R99-Y440 VanDerWaalsContact CG-CD1 3.42Å; R99-Y440 HydrophobicContact CG-CE1 3.91Å
100	R	53.5	Low	37.1	Very low	226 Å²	226	144.5 Å²	144.5	85%	0.853	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-85	143.3	174.6	-77.9	-174.2	176.2	-177.3	-2.1	109.1	T98 A102	T98-R100 PolarHBondContact O-N 2.97Å; R100-A102 PolarHBondContact O-N 2.77Å
101	R	52.6	Low	37.1	Very low	127 Å²	127	142.1 Å²	142.1	48%	0.479	73%	0.733	S	S	.	*	P	Polyproline II helix	trans	-59.5	123.9	169.2	-169	176.6	-168.1	173.7	5.6	107.7	E103	R101-E103 PolarHBondContact O-N 2.82Å
102	A	50.2	Low	37.1	Very low	65 Å²	65	138.1 Å²	138.1	54%	0.537	73%	0.733	S	S	.	*	P	Polyproline II helix	trans	-67.3	118.9	172.1	0	0	0	0	0	107.9	R100	R100-A102 PolarHBondContact O-N 2.77Å
103	E	37.6	Very low	37.3	Very low	167 Å²	167	140 Å²	140	78%	0.78	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-85.7	138.5	162	-69.9	-178.6	172	0	0	107	R101 E105	R101-E103 PolarHBondContact O-N 2.82Å; E103-E105 PolarHBondContact O-N 3.34Å; E103-E105 VanDerWaalsContact O-N 3.16Å
104	P	36.7	Very low	37.3	Very low	103 Å²	103	138.7 Å²	138.7	67%	0.669	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-60	121.7	174.5	23.3	-29.4	0	0	0	108.7	S106	P104-S106 PolarHBondContact O-N 3.37Å
105	E	33.1	Very low	37.2	Very low	191 Å²	191	135.4 Å²	135.4	89%	0.893	75%	0.751	S	S	*	*			trans	-64.3	107.5	175.2	-73.8	-172.9	163.1	0	0	108.9	E103 S107	E103-E105 PolarHBondContact O-N 3.34Å; E103-E105 VanDerWaalsContact O-N 3.16Å; E105-S107 VanDerWaalsContact C-N 3.31Å; E105-S107 PolarHBondContact O-N 2.75Å
106	S	31.1	Very low	36.9	Very low	111 Å²	111	134.1 Å²	134.1	78%	0.776	75%	0.754	S	S	*	*			trans	-69.6	92.2	164.3	62.1	0	0	0	0	108.1	P104 T108	P104-S106 PolarHBondContact O-N 3.37Å; S106-T108 PolarHBondContact O-N 2.93Å; S106-T108 VanDerWaalsContact O-N 3.15Å
107	S	30.2	Very low	36.9	Very low	106 Å²	106	130.5 Å²	130.5	74%	0.741	75%	0.752	S	S	*	*			trans	-66.8	110.2	166.7	50.6	0	0	0	0	108.4	E105 S109	E105-S107 VanDerWaalsContact C-N 3.31Å; E105-S107 PolarHBondContact O-N 2.75Å; S107-S109 PolarHBondContact O-N 3.03Å
108	T	29.6	Very low	36.6	Very low	147 Å²	147	125.4 Å²	125.4	90%	0.902	75%	0.751	S	S	*	*			trans	-64.8	95.5	169.1	32.3	0	0	0	0	109.5	S106	S106-T108 PolarHBondContact O-N 2.93Å; S106-T108 VanDerWaalsContact O-N 3.15Å
109	S	30.8	Very low	36.5	Very low	106 Å²	106	128 Å²	128	74%	0.741	76%	0.756	S	S	*	*			trans	-122.9	121.6	149.6	68.3	0	0	0	0	108.1	S107 C111	S107-S109 PolarHBondContact O-N 3.03Å; S109-C111 PolarHBondContact O-N 3.36Å
110	Q	32.8	Very low	36.3	Very low	196 Å²	196	128.6 Å²	128.6	92%	0.916	77%	0.774	S	S	*	*			trans	-69.3	118	178.7	-71.3	175.8	-18.4	0	0	109.5
111	C	25.9	Very low	37.2	Very low	128 Å²	128	121.9 Å²	121.9	87%	0.865	76%	0.76	S	S	*	*			trans	-173.1	116	143.5	-106.3	0	0	0	0	111.8	S109	S109-C111 PolarHBondContact O-N 3.36Å
112	A	30.6	Very low	38.8	Very low	92 Å²	92	117.7 Å²	117.7	76%	0.76	76%	0.756	S	S	*	*			trans	42.4	138.8	159.8	0	0	0	0	0	122.2	V114	A112-V114 PolarHBondContact O-N 3.29Å
113	P	32.1	Very low	41.1	Very low	134 Å²	134	115.7 Å²	115.7	87%	0.87	74%	0.738	S	S	*	*			trans	-83.9	119.4	-173.8	34.3	-30.5	0	0	0	111.4
114	V	29.4	Very low	43.9	Very low	142 Å²	142	109.3 Å²	109.3	86%	0.861	71%	0.709	S	S	*	*			trans	-103.4	128.5	157	-179.7	0	0	0	0	106.7	A112 G116	A112-V114 PolarHBondContact O-N 3.29Å; V114-G116 PolarHBondContact O-N 3.21Å
115	C	28.1	Very low	46.9	Very low	134 Å²	134	104.5 Å²	104.5	91%	0.905	68%	0.678	S	S	*	*			trans	-40.8	107.8	-171.6	-71.8	0	0	0	0	113.2	S117	C115-S117 PolarHBondContact O-N 3.22Å
116	G	28.7	Very low	50	Low	75 Å²	75	95.4 Å²	95.4	77%	0.773	64%	0.635	S	S	*	*			trans	-71.2	121.6	175.3	0	0	0	0	0	111.1	V114 S118	V114-G116 PolarHBondContact O-N 3.21Å; G116-S118 PolarHBondContact O-N 2.75Å
117	S	35.7	Very low	53.2	Low	111 Å²	111	90.1 Å²	90.1	78%	0.776	60%	0.598	S	S	*	*			trans	-63.2	119.8	153.6	52.8	0	0	0	0	107.8	C115 E119	C115-S117 PolarHBondContact O-N 3.22Å; S117-E119 PolarHBondContact O-N 3.28Å
118	S	34.7	Very low	56.5	Low	120 Å²	120	85.3 Å²	85.3	84%	0.839	57%	0.565	S	S	*	*			trans	-50.2	108	177.7	54.7	0	0	0	0	111.8	G116 G120	G116-S118 PolarHBondContact O-N 2.75Å; S118-G120 PolarHBondContact O-N 2.79Å
119	E	45.1	Very low	59.8	Low	168 Å²	168	78.7 Å²	78.7	79%	0.785	53%	0.526	S	S	*	.			trans	-70.4	95.4	168.9	-74.7	-167	158	0	0	108.7	S117	S117-E119 PolarHBondContact O-N 3.28Å
120	G	54.7	Low	63	Low	52 Å²	52	73.7 Å²	73.7	54%	0.536	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-59.6	161.6	167	0	0	0	0	0	111.2	S118 G122	S118-G120 PolarHBondContact O-N 2.79Å; G120-G122 PolarHBondContact O-N 3.45Å
121	P	70.9	Confident	66.1	Low	84 Å²	84	65.6 Å²	65.6	55%	0.545	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-54.1	130.3	177.5	19.7	-30.8	0	0	0	111.5	R147	P121-R147 VanDerWaalsContact CG-NH1 3.3Å
122	G	87.3	Confident	69.6	Low	40 Å²	40	60.4 Å²	60.4	41%	0.412	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-55.4	162.5	-178.7	0	0	0	0	0	114.7	G120 R147	G120-G122 PolarHBondContact O-N 3.45Å; G122-R147 PolarHBondContact O-NE 3.26Å
123	P	97.4	Very high	72.8	Confident	22 Å²	22	56.4 Å²	56.4	14%	0.143	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-65.8	150.6	-173.9	29.5	-35.5	0	0	0	112.2	T149 I274 A276	P123-T149 WeakPolarHBondContact CB-OG1 3.27Å; P123-I274 HydrophobicContact CG-CG2 3.67Å; P123-A276 HydrophobicContact CG-CB 4.38Å; P123-A276 WeakPolarHBondContact O-CA 3.45Å
124	D	97.8	Very high	76	Confident	34 Å²	34	50 Å²	50	18%	0.182	35%	0.348	C	S	.	.	S	Bend	trans	-78.7	-34.8	173	-51.6	-41.6	0	0	0	110.2	R147 G277 L278 L439	D124-R147 PolarHBondContact N-O 2.96Å; D124-R147 IonicContact OD1-CZ 2.7Å; D124-R147 IonicContact OD1-NE 3.54Å; D124-R147 IonicContact OD1-NH2 3.93Å; D124-R147 PolarHBondContact OD1-NH2 3.05Å; D124-R147 PolarHBondContact OD2-N 2.79Å; D124-R147 IonicContact OD2-NE 3.62Å; D124-G277 PolarHBondContact O-N 3.42Å; D124-L278 PolarHBondContact O-N 3.15Å; D124-L278 VanDerWaalsContact O-N 3.11Å; D124-L439 HydrophobicContact CB-CD1 4.26Å
125	V	98.7	Very high	79.3	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	133	-179.3	-173.6	0	0	0	0	110.5	V127 L141 R147 V148 T149 L278 V280 L439	V125-V127 HydrophobicContact CG1-CG2 4.13Å; V125-L141 HydrophobicContact CG1-CD1 4.22Å; V125-L141 HydrophobicContact CG2-CD1 4.26Å; V125-R147 PolarHBondContact N-O 2.71Å; V125-R147 VanDerWaalsContact N-O 3.13Å; V125-V148 WeakPolarHBondContact O-CA 3.41Å; V125-T149 PolarHBondContact O-N 3.08Å; V125-L278 CarbonylContact C-O 3.11Å; V125-L278 VanDerWaalsContact CA-O 3.27Å; V125-L278 WeakPolarHBondContact CA-O 3.41Å; V125-L278 HydrophobicContact CG2-CB 4.36Å; V125-V280 HydrophobicContact CG1-CG2 3.85Å; V125-L439 HydrophobicContact CG2-CD1 3.52Å
126	V	98.8	Very high	82.7	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.2	166	65.5	0	0	0	0	110.2	T149 V151 V261 I274 A276 L278 T279 V280	V126-T149 CarbonylContact C-O 3.52Å; V126-T149 VanDerWaalsContact CA-O 3.31Å; V126-T149 WeakPolarHBondContact CA-O 3.29Å; V126-V151 HydrophobicContact CG2-CG2 4.37Å; V126-V261 HydrophobicContact CG1-CG1 4.1Å; V126-V261 HydrophobicContact CG1-CG2 4.26Å; V126-V261 HydrophobicContact CG2-CG2 3.72Å; V126-I274 HydrophobicContact CB-CG2 4.21Å; V126-I274 HydrophobicContact CG2-CD1 4.42Å; V126-I274 HydrophobicContact CG2-CG2 4.06Å; V126-A276 HydrophobicContact CB-CB 4.08Å; V126-A276 HydrophobicContact CG1-CB 3.89Å; V126-L278 PolarHBondContact N-O 3.45Å; V126-T279 HydrophobicContact CG1-CG2 3.98Å; V126-T279 VanDerWaalsContact CG1-OG1 3.29Å; V126-T279 WeakPolarHBondContact CG1-OG1 3.19Å; V126-T279 CarbonylContact O-C 3.5Å; V126-T279 WeakPolarHBondContact O-CA 3.29Å; V126-V280 PolarHBondContact O-N 3.48Å
127	V	98.9	Very high	86	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.5	-178.9	-177.4	0	0	0	0	109.2	V125 V148 T149 V150 V151 V280	V125-V127 HydrophobicContact CG1-CG2 4.13Å; V127-V148 HydrophobicContact CG2-CG1 3.73Å; V127-T149 PolarHBondContact N-O 2.99Å; V127-V150 HydrophobicContact CB-CG1 4.48Å; V127-V150 HydrophobicContact CB-CG2 4.09Å; V127-V150 HydrophobicContact CG2-CG2 4.48Å; V127-V150 WeakPolarHBondContact O-CA 3.47Å; V127-V151 PolarHBondContact O-N 3.12Å; V127-V280 CarbonylContact C-O 3.59Å; V127-V280 WeakPolarHBondContact CA-O 3.49Å; V127-V280 HydrophobicContact CG2-CB 4.3Å
128	V	98.8	Very high	89	Confident	6 Å²	6	28 Å²	28	4%	0.036	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	109	178.2	-175.9	0	0	0	0	109.4	V248 V261 T279 V280 A282 D283 F289	V128-V248 HydrophobicContact CB-CG2 4.38Å; V128-V248 HydrophobicContact CG1-CB 3.85Å; V128-V248 HydrophobicContact CG1-CG1 4.25Å; V128-V248 HydrophobicContact CG1-CG2 3.68Å; V128-V248 HydrophobicContact CG2-CG1 4.35Å; V128-V248 HydrophobicContact CG2-CG2 4.1Å; V128-V261 HydrophobicContact CG2-CG1 3.84Å; V128-T279 HydrophobicContact CG2-CG2 4.28Å; V128-V280 PolarHBondContact N-O 3.05Å; V128-A282 CarbonylContact O-C 3.52Å; V128-A282 VanDerWaalsContact O-CA 3.28Å; V128-A282 WeakPolarHBondContact O-CA 3.26Å; V128-A282 WeakPolarHBondContact O-CB 3.23Å; V128-A282 PolarHBondContact O-N 2.6Å; V128-D283 HydrophobicContact CG1-CB 4.36Å; V128-D283 PolarHBondContact O-N 3.49Å; V128-F289 HydrophobicContact CG1-CE2 4.02Å
129	G	98.6	Very high	92	Very high	8 Å²	8	22.3 Å²	22.3	8%	0.082	15%	0.151	C	C	.	.			trans	95.3	128.4	-178.2	0	0	0	0	0	113.1	G134 V151 E152	G129-G134 WeakPolarHBondContact O-CA 3.38Å; G129-V151 PolarHBondContact N-O 3.16Å; G129-E152 WeakPolarHBondContact CA-OE2 3.28Å
130	A	98.5	Very high	94.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	11%	0.113	C	C	.	.			trans	-105.6	51.7	176.4	0	0	0	0	0	111.5	S135 V150 E152 R232 F243	A130-S135 PolarHBondContact O-OG 2.87Å; A130-V150 HydrophobicContact CB-CG1 3.73Å; A130-E152 HydrophobicContact CB-CB 3.61Å; A130-E152 HydrophobicContact CB-CG 3.85Å; A130-E152 PolarHBondContact N-OE2 2.99Å; A130-R232 HydrophobicContact CB-CG 4.34Å; A130-R232 PolarHBondContact O-NE 2.97Å; A130-R232 PolarHBondContact O-NH2 3.49Å; A130-F243 HydrophobicContact CB-CD1 4.48Å; A130-F243 HydrophobicContact CB-CE1 3.76Å
131	G	98.1	Very high	96.7	Very high	27 Å²	27	12 Å²	12	28%	0.278	9%	0.089	S	C	.	.	S	Bend	trans	-86.4	-162.1	166.8	0	0	0	0	0	111.8	L133 G134 S135	G131-L133 VanDerWaalsContact C-N 3.32Å; G131-L133 PolarHBondContact O-N 3.1Å; G131-G134 PolarHBondContact O-N 2.77Å; G131-S135 WeakPolarHBondContact O-CB 3.15Å; G131-S135 PolarHBondContact O-N 3.31Å; G131-S135 PolarHBondContact O-OG 3.32Å
132	V	98.5	Very high	98	Very high	18 Å²	18	8.2 Å²	8.2	11%	0.109	6%	0.064	C	C	.	.	H	α-helix	trans	-50.2	-51.7	-179.6	179.8	0	0	0	0	111.9	A136 F227 I228 L231 M419 L423	V132-A136 VanDerWaalsContact O-CB 3.24Å; V132-A136 WeakPolarHBondContact O-CB 3.15Å; V132-A136 PolarHBondContact O-N 3.22Å; V132-F227 HydrophobicContact CG1-CE1 4.22Å; V132-F227 HydrophobicContact CG2-CD1 4.48Å; V132-F227 HydrophobicContact CG2-CE1 4.11Å; V132-I228 HydrophobicContact CB-CD1 4.44Å; V132-I228 HydrophobicContact CG2-CD1 3.58Å; V132-L231 HydrophobicContact CB-CD1 4.42Å; V132-L231 HydrophobicContact CG1-CD1 4.26Å; V132-M419 HydrophobicContact CG1-CB 4.35Å; V132-M419 HydrophobicContact CG1-CG 4.38Å; V132-M419 HydrophobicContact CG2-CG 4.09Å; V132-M419 HydrophobicContact CG2-SD 3.96Å; V132-L423 HydrophobicContact CG1-CD2 4.33Å; V132-L423 HydrophobicContact CG1-CG 4.36Å
133	L	98.6	Very high	98.5	Very high	8 Å²	8	10.9 Å²	10.9	4%	0.042	6%	0.062	C	C	.	.	H	α-helix	trans	-69.8	-49.1	-177.5	-170.8	143.1	0	0	0	112.5	G131 A136 M137 V280 A282 L404 G405 A422 V426	G131-L133 VanDerWaalsContact C-N 3.32Å; G131-L133 PolarHBondContact O-N 3.1Å; L133-A136 PolarHBondContact O-N 3.38Å; L133-M137 HydrophobicContact CD2-CB 4.41Å; L133-M137 WeakPolarHBondContact O-CB 3.41Å; L133-M137 PolarHBondContact O-N 3.44Å; L133-V280 HydrophobicContact CD2-CG1 4.33Å; L133-A282 HydrophobicContact CB-CB 4.42Å; L133-A282 HydrophobicContact CD2-CB 3.65Å; L133-L404 HydrophobicContact CD1-CB 3.42Å; L133-L404 VanDerWaalsContact CD1-CB 3.42Å; L133-L404 HydrophobicContact CD1-CD1 4.49Å; L133-L404 HydrophobicContact CD2-CB 3.79Å; L133-L404 HydrophobicContact CD2-CD1 4.2Å; L133-L404 HydrophobicContact CG-CB 4.29Å; L133-G405 VanDerWaalsContact CD1-N 3.28Å; L133-A422 HydrophobicContact CB-CB 4.24Å; L133-A422 HydrophobicContact CD1-CB 4.16Å; L133-V426 HydrophobicContact CD1-CG2 4.43Å; L133-V426 HydrophobicContact CG-CG2 3.97Å
134	G	98.6	Very high	98.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65.4	-43.5	-172.4	0	0	0	0	0	112.6	G129 G131 A138	G129-G134 WeakPolarHBondContact O-CA 3.38Å; G131-G134 PolarHBondContact O-N 2.77Å; G134-A138 VanDerWaalsContact O-CB 3.29Å; G134-A138 WeakPolarHBondContact O-CB 3.27Å; G134-A138 PolarHBondContact O-N 3.43Å
135	S	98.8	Very high	98.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-66.5	-44.1	176.6	-61.6	0	0	0	0	112	A130 G131 A138 A139 R232	A130-S135 PolarHBondContact O-OG 2.87Å; G131-S135 WeakPolarHBondContact O-CB 3.15Å; G131-S135 PolarHBondContact O-N 3.31Å; G131-S135 PolarHBondContact O-OG 3.32Å; S135-A138 PolarHBondContact O-N 3.41Å; S135-A139 PolarHBondContact O-N 2.84Å; S135-A139 VanDerWaalsContact O-N 3.12Å; S135-R232 WeakPolarHBondContact OG-CG 3.16Å
136	A	98.8	Very high	98.4	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.008	9%	0.088	C	C	.	.	H	α-helix	trans	-63.4	-45.4	176.8	0	0	0	0	0	111.9	V132 L133 A138 A139 V140 L179 L231 L423	V132-A136 VanDerWaalsContact O-CB 3.24Å; V132-A136 WeakPolarHBondContact O-CB 3.15Å; V132-A136 PolarHBondContact O-N 3.22Å; L133-A136 PolarHBondContact O-N 3.38Å; A136-A138 PolarHBondContact O-N 3.33Å; A136-A139 PolarHBondContact O-N 3.01Å; A136-V140 WeakPolarHBondContact O-CG1 3.44Å; A136-V140 WeakPolarHBondContact O-CG2 3.16Å; A136-V140 PolarHBondContact O-N 2.91Å; A136-V140 VanDerWaalsContact O-N 3.15Å; A136-L179 HydrophobicContact CB-CD1 3.76Å; A136-L231 HydrophobicContact CB-CD2 4.5Å; A136-L423 HydrophobicContact CB-CD2 3.95Å
137	M	98.7	Very high	98.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.4	-45.1	177.1	-174.8	70.2	98.1	0	0	111.3	L133 V140 L141 L404 V426 W429	L133-M137 HydrophobicContact CD2-CB 4.41Å; L133-M137 WeakPolarHBondContact O-CB 3.41Å; L133-M137 PolarHBondContact O-N 3.44Å; M137-V140 WeakPolarHBondContact O-CG2 3.45Å; M137-V140 PolarHBondContact O-N 3.06Å; M137-L141 HydrophobicContact CG-CD1 3.64Å; M137-L141 HydrophobicContact CG-CG 4.1Å; M137-L141 WeakPolarHBondContact O-CB 3.47Å; M137-L141 VanDerWaalsContact O-CG 3.24Å; M137-L141 WeakPolarHBondContact O-CG 3.08Å; M137-L141 PolarHBondContact O-N 3.28Å; M137-L141 HydrophobicContact SD-CD1 3.74Å; M137-L141 HydrophobicContact SD-CD2 4.29Å; M137-L141 HydrophobicContact SD-CG 3.87Å; M137-L404 HydrophobicContact CE-CD1 3.46Å; M137-L404 VanDerWaalsContact CE-CD1 3.46Å; M137-V426 HydrophobicContact CB-CG2 4.28Å; M137-V426 HydrophobicContact CE-CG2 4.47Å; M137-V426 HydrophobicContact SD-CG1 4.31Å; M137-W429 HydrophobicContact CE-CB 3.77Å; M137-W429 HydrophobicContact CE-CG 4.13Å; M137-W429 HydrophobicContact SD-CB 4.48Å
138	A	98.8	Very high	98.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.2	-48.1	-179.6	0	0	0	0	0	112.1	G134 S135 A136 V140 A142 V148 V150 A235 V241	G134-A138 VanDerWaalsContact O-CB 3.29Å; G134-A138 WeakPolarHBondContact O-CB 3.27Å; G134-A138 PolarHBondContact O-N 3.43Å; S135-A138 PolarHBondContact O-N 3.41Å; A136-A138 PolarHBondContact O-N 3.33Å; A138-V140 PolarHBondContact O-N 3.21Å; A138-A142 VanDerWaalsContact O-CB 3.27Å; A138-A142 WeakPolarHBondContact O-CB 3.34Å; A138-A142 PolarHBondContact O-N 2.92Å; A138-V148 HydrophobicContact CB-CG1 4Å; A138-V150 HydrophobicContact CB-CG2 3.42Å; A138-V150 VanDerWaalsContact CB-CG2 3.42Å; A138-A235 HydrophobicContact CB-CB 4.34Å; A138-V241 HydrophobicContact CB-CG1 4.33Å
139	A	98.7	Very high	98.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.4	-48.5	178.2	0	0	0	0	0	111.8	S135 A136 A142 R143 L179 A235	S135-A139 PolarHBondContact O-N 2.84Å; S135-A139 VanDerWaalsContact O-N 3.12Å; A136-A139 PolarHBondContact O-N 3.01Å; A139-A142 PolarHBondContact O-N 3.11Å; A139-R143 VanDerWaalsContact O-CG 3.3Å; A139-R143 WeakPolarHBondContact O-CG 3.42Å; A139-R143 PolarHBondContact O-N 3.06Å; A139-R143 VanDerWaalsContact O-N 3.08Å; A139-L179 HydrophobicContact CB-CD2 3.86Å; A139-A235 HydrophobicContact CB-CB 3.95Å
140	V	98.4	Very high	98.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-75.2	-33.7	-172.8	-56.6	0	0	0	0	112.8	A136 M137 A138 D144 L177 L179 V426 R430	A136-V140 WeakPolarHBondContact O-CG1 3.44Å; A136-V140 WeakPolarHBondContact O-CG2 3.16Å; A136-V140 PolarHBondContact O-N 2.91Å; A136-V140 VanDerWaalsContact O-N 3.15Å; M137-V140 WeakPolarHBondContact O-CG2 3.45Å; M137-V140 PolarHBondContact O-N 3.06Å; A138-V140 PolarHBondContact O-N 3.21Å; V140-D144 PolarHBondContact O-N 3.25Å; V140-L177 HydrophobicContact CG1-CB 3.91Å; V140-L177 HydrophobicContact CG1-CD2 4Å; V140-L177 HydrophobicContact CG1-CG 4.35Å; V140-L179 HydrophobicContact CG1-CD1 4.1Å; V140-V426 HydrophobicContact CG2-CG1 3.67Å; V140-R430 HydrophobicContact CB-CG 4.46Å; V140-R430 HydrophobicContact CG2-CB 4.43Å; V140-R430 HydrophobicContact CG2-CG 4.34Å
141	L	98.4	Very high	98.4	Very high	3 Å²	3	17.9 Å²	17.9	2%	0.016	10%	0.101	C	C	.	.	H	α-helix	trans	-69.8	-36.8	174.5	-68.7	-177.4	0	0	0	111.4	V125 M137 D144 G145 R146 V148 L433	V125-L141 HydrophobicContact CG1-CD1 4.22Å; V125-L141 HydrophobicContact CG2-CD1 4.26Å; M137-L141 HydrophobicContact CG-CD1 3.64Å; M137-L141 HydrophobicContact CG-CG 4.1Å; M137-L141 WeakPolarHBondContact O-CB 3.47Å; M137-L141 VanDerWaalsContact O-CG 3.24Å; M137-L141 WeakPolarHBondContact O-CG 3.08Å; M137-L141 PolarHBondContact O-N 3.28Å; M137-L141 HydrophobicContact SD-CD1 3.74Å; M137-L141 HydrophobicContact SD-CD2 4.29Å; M137-L141 HydrophobicContact SD-CG 3.87Å; L141-D144 CarbonylContact O-C 3.56Å; L141-D144 PolarHBondContact O-N 3.43Å; L141-G145 PolarHBondContact O-N 3.33Å; L141-R146 HydrophobicContact CB-CB 4.18Å; L141-R146 HydrophobicContact CB-CG 4.22Å; L141-R146 VanDerWaalsContact O-CB 3.29Å; L141-R146 WeakPolarHBondContact O-CB 3.37Å; L141-R146 WeakPolarHBondContact O-CG 3.35Å; L141-R146 PolarHBondContact O-N 2.82Å; L141-V148 HydrophobicContact CB-CG2 3.92Å; L141-L433 HydrophobicContact CD1-CD1 4.35Å; L141-L433 HydrophobicContact CD2-CB 4.33Å; L141-L433 HydrophobicContact CD2-CD1 3.78Å
142	A	98.1	Very high	98.4	Very high	4 Å²	4	17.6 Å²	17.6	3%	0.033	9%	0.092	C	C	.	.	H	α-helix	trans	-66.1	-42.5	176.2	0	0	0	0	0	113	A138 A139 D144 G145 R146 V148 E238 N240 V241	A138-A142 VanDerWaalsContact O-CB 3.27Å; A138-A142 WeakPolarHBondContact O-CB 3.34Å; A138-A142 PolarHBondContact O-N 2.92Å; A139-A142 PolarHBondContact O-N 3.11Å; A142-D144 PolarHBondContact O-N 3.03Å; A142-G145 WeakPolarHBondContact O-CA 3.29Å; A142-G145 PolarHBondContact O-N 2.74Å; A142-R146 WeakPolarHBondContact CA-O 3.24Å; A142-V148 HydrophobicContact CB-CG2 4.47Å; A142-E238 HydrophobicContact CB-CB 3.84Å; A142-E238 HydrophobicContact CB-CG 4.23Å; A142-N240 HydrophobicContact CB-CB 4.18Å; A142-V241 HydrophobicContact CB-CG2 3.27Å
143	R	97.8	Very high	98.4	Very high	96 Å²	96	24 Å²	24	36%	0.362	11%	0.114	S	C	.	.	H	α-helix	trans	-59.7	-29.4	171.7	-71.7	171.4	-175.9	-177.8	-2.7	113.2	A139 G145 L177 G178 E238	A139-R143 VanDerWaalsContact O-CG 3.3Å; A139-R143 WeakPolarHBondContact O-CG 3.42Å; A139-R143 PolarHBondContact O-N 3.06Å; A139-R143 VanDerWaalsContact O-N 3.08Å; R143-G145 PolarHBondContact O-N 3.44Å; R143-L177 PolarHBondContact NH1-O 3.32Å; R143-G178 PolarHBondContact NH1-O 3.02Å; R143-E238 HydrophobicContact CG-CG 4.45Å; R143-E238 WeakPolarHBondContact CG-OE1 3.29Å; R143-E238 WeakPolarHBondContact CG-OE2 3.37Å; R143-E238 IonicContact CZ-OE1 2.84Å; R143-E238 IonicContact NE-OE1 3.07Å; R143-E238 PolarHBondContact NE-OE1 3.45Å; R143-E238 IonicContact NH2-OE1 3.34Å; R143-E238 PolarHBondContact NH2-OE1 3.25Å
144	D	97.3	Very high	98.4	Very high	44 Å²	44	26.7 Å²	26.7	24%	0.235	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	10.9	176.2	-64.8	-8.5	0	0	0	112.3	V140 L141 A142 R430 R434	V140-D144 PolarHBondContact O-N 3.25Å; L141-D144 CarbonylContact O-C 3.56Å; L141-D144 PolarHBondContact O-N 3.43Å; A142-D144 PolarHBondContact O-N 3.03Å; D144-R430 IonicContact OD1-CZ 3.49Å; D144-R430 IonicContact OD1-NE 2.77Å; D144-R430 PolarHBondContact OD1-NE 3.24Å; D144-R430 IonicContact OD1-NH2 2.74Å; D144-R430 PolarHBondContact OD1-NH2 3.12Å; D144-R430 WeakPolarHBondContact OD2-CG 3.07Å; D144-R430 IonicContact OD2-NE 2.6Å; D144-R430 PolarHBondContact OD2-NE 3.34Å; D144-R434 HydrophobicContact CB-CG 4.45Å; D144-R434 VanDerWaalsContact CG-NE 3.28Å; D144-R434 IonicContact OD1-CZ 3.82Å; D144-R434 IonicContact OD1-NE 3.86Å; D144-R434 PolarHBondContact OD1-NE 3.3Å; D144-R434 IonicContact OD1-NH2 3.56Å; D144-R434 PolarHBondContact OD1-NH2 3.49Å; D144-R434 WeakPolarHBondContact OD2-CG 3.32Å; D144-R434 IonicContact OD2-CZ 3.29Å; D144-R434 IonicContact OD2-NE 2.68Å; D144-R434 PolarHBondContact OD2-NE 3.31Å; D144-R434 IonicContact OD2-NH2 2.74Å; D144-R434 PolarHBondContact OD2-NH2 2.89Å
145	G	97.1	Very high	98.3	Very high	52 Å²	52	28.4 Å²	28.4	54%	0.536	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	8.4	171.2	0	0	0	0	0	115.8	L141 A142 R143	L141-G145 PolarHBondContact O-N 3.33Å; A142-G145 WeakPolarHBondContact O-CA 3.29Å; A142-G145 PolarHBondContact O-N 2.74Å; R143-G145 PolarHBondContact O-N 3.44Å
146	R	97.9	Very high	98.3	Very high	30 Å²	30	35.6 Å²	35.6	11%	0.113	17%	0.169	C	C	.	.			trans	-82.7	140.7	177.1	-55.8	-57.9	-176	166.6	0.7	111.6	L141 A142 V148 N240 L433 I436 P437	L141-R146 HydrophobicContact CB-CB 4.18Å; L141-R146 HydrophobicContact CB-CG 4.22Å; L141-R146 VanDerWaalsContact O-CB 3.29Å; L141-R146 WeakPolarHBondContact O-CB 3.37Å; L141-R146 WeakPolarHBondContact O-CG 3.35Å; L141-R146 PolarHBondContact O-N 2.82Å; A142-R146 WeakPolarHBondContact CA-O 3.24Å; R146-V148 HydrophobicContact CB-CG2 4.09Å; R146-N240 WeakPolarHBondContact O-CB 3.44Å; R146-L433 PolarHBondContact NH2-O 2.85Å; R146-I436 PolarHBondContact NH2-O 2.91Å; R146-P437 PolarHBondContact NH1-O 3.47Å
147	R	98.3	Very high	98.3	Very high	77 Å²	77	40.7 Å²	40.7	29%	0.291	19%	0.193	S	C	.	.			trans	-78.3	118.8	163.4	-65.2	-179.8	-64.1	-118.4	-14.5	109.2	P121 G122 D124 V125	P121-R147 VanDerWaalsContact CG-NH1 3.3Å; G122-R147 PolarHBondContact O-NE 3.26Å; D124-R147 PolarHBondContact N-O 2.96Å; D124-R147 IonicContact OD1-CZ 2.7Å; D124-R147 IonicContact OD1-NE 3.54Å; D124-R147 IonicContact OD1-NH2 3.93Å; D124-R147 PolarHBondContact OD1-NH2 3.05Å; D124-R147 PolarHBondContact OD2-N 2.79Å; D124-R147 IonicContact OD2-NE 3.62Å; V125-R147 PolarHBondContact N-O 2.71Å; V125-R147 VanDerWaalsContact N-O 3.13Å
148	V	98.7	Very high	98.1	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.7	-175.9	-170.8	0	0	0	0	110.2	V125 V127 A138 L141 A142 R146 V150 N240 V241 R242	V125-V148 WeakPolarHBondContact O-CA 3.41Å; V127-V148 HydrophobicContact CG2-CG1 3.73Å; A138-V148 HydrophobicContact CB-CG1 4Å; L141-V148 HydrophobicContact CB-CG2 3.92Å; A142-V148 HydrophobicContact CB-CG2 4.47Å; R146-V148 HydrophobicContact CB-CG2 4.09Å; V148-V150 HydrophobicContact CG1-CG2 4.21Å; V148-N240 PolarHBondContact N-O 3.4Å; V148-V241 HydrophobicContact CB-CG2 4.42Å; V148-V241 CarbonylContact O-C 3.51Å; V148-V241 WeakPolarHBondContact O-CA 3.5Å; V148-R242 PolarHBondContact O-N 3.4Å
149	T	98.8	Very high	97.9	Very high	11 Å²	11	47.4 Å²	47.4	7%	0.067	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.8	166.7	-61.5	0	0	0	0	109.4	P123 V125 V126 V127 R242 I244 I274	P123-T149 WeakPolarHBondContact CB-OG1 3.27Å; V125-T149 PolarHBondContact O-N 3.08Å; V126-T149 CarbonylContact C-O 3.52Å; V126-T149 VanDerWaalsContact CA-O 3.31Å; V126-T149 WeakPolarHBondContact CA-O 3.29Å; V127-T149 PolarHBondContact N-O 2.99Å; T149-R242 CarbonylContact C-O 3.57Å; T149-R242 VanDerWaalsContact CA-O 3.31Å; T149-R242 WeakPolarHBondContact CA-O 3.46Å; T149-I244 HydrophobicContact CG2-CD1 3.56Å; T149-I244 HydrophobicContact CG2-CG1 4.1Å; T149-I274 HydrophobicContact CG2-CD1 3.95Å
150	V	98.9	Very high	97.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.1	177.5	-177.9	0	0	0	0	108.7	V127 A130 A138 V148 V241 R242 F243 I244	V127-V150 HydrophobicContact CB-CG1 4.48Å; V127-V150 HydrophobicContact CB-CG2 4.09Å; V127-V150 HydrophobicContact CG2-CG2 4.48Å; V127-V150 WeakPolarHBondContact O-CA 3.47Å; A130-V150 HydrophobicContact CB-CG1 3.73Å; A138-V150 HydrophobicContact CB-CG2 3.42Å; A138-V150 VanDerWaalsContact CB-CG2 3.42Å; V148-V150 HydrophobicContact CG1-CG2 4.21Å; V150-V241 HydrophobicContact CG2-CG1 4.2Å; V150-R242 PolarHBondContact N-O 3.14Å; V150-F243 HydrophobicContact CB-CD1 3.96Å; V150-F243 HydrophobicContact CB-CE1 3.92Å; V150-F243 HydrophobicContact CB-CG 4.32Å; V150-F243 HydrophobicContact CB-CZ 4.21Å; V150-F243 HydrophobicContact CG1-CD1 4.02Å; V150-F243 HydrophobicContact CG1-CE1 3.72Å; V150-F243 HydrophobicContact CG1-CZ 4.3Å; V150-F243 HydrophobicContact CG2-CE1 4.32Å; V150-F243 HydrophobicContact CG2-CE2 4.34Å; V150-F243 HydrophobicContact CG2-CZ 4.12Å; V150-I244 PolarHBondContact O-N 3.29Å
151	V	98.8	Very high	97.2	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	118	175.6	-173.1	0	0	0	0	109	V126 V127 G129 I244 G246 V248 Y263 I274	V126-V151 HydrophobicContact CG2-CG2 4.37Å; V127-V151 PolarHBondContact O-N 3.12Å; G129-V151 PolarHBondContact N-O 3.16Å; V151-I244 WeakPolarHBondContact CA-O 3.37Å; V151-I244 HydrophobicContact CG2-CB 4.44Å; V151-G246 WeakPolarHBondContact CG1-O 3.34Å; V151-V248 HydrophobicContact CB-CG2 3.82Å; V151-V248 HydrophobicContact CG1-CG2 3.64Å; V151-V248 HydrophobicContact CG2-CG2 4.47Å; V151-Y263 HydrophobicContact CG1-CD2 4.19Å; V151-Y263 HydrophobicContact CG1-CG 4.19Å; V151-I274 HydrophobicContact CG2-CD1 3.74Å
152	E	98.7	Very high	96.6	Very high	22 Å²	22	53.5 Å²	53.5	10%	0.103	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136.7	-179.9	170.6	55.4	-134	0	0	111	G129 A130 D154 L155 R232 I244 E245 G246	G129-E152 WeakPolarHBondContact CA-OE2 3.28Å; A130-E152 HydrophobicContact CB-CB 3.61Å; A130-E152 HydrophobicContact CB-CG 3.85Å; A130-E152 PolarHBondContact N-OE2 2.99Å; E152-D154 VanDerWaalsContact C-N 3.33Å; E152-D154 VanDerWaalsContact CG-O 3.31Å; E152-D154 WeakPolarHBondContact CG-O 3.1Å; E152-D154 PolarHBondContact O-N 2.84Å; E152-D154 PolarHBondContact OE1-N 3.1Å; E152-D154 VanDerWaalsContact OE1-N 3.16Å; E152-L155 HydrophobicContact CB-CD2 3.79Å; E152-L155 HydrophobicContact CB-CG 4.48Å; E152-L155 HydrophobicContact CG-CD2 3.88Å; E152-L155 HydrophobicContact CG-CG 4.47Å; E152-R232 IonicContact OE1-NH2 3.56Å; E152-I244 PolarHBondContact N-O 3.26Å; E152-E245 CarbonylContact O-C 3.52Å; E152-E245 VanDerWaalsContact O-CA 3.27Å; E152-E245 WeakPolarHBondContact O-CA 3.22Å; E152-G246 CarbonylContact C-O 3.15Å; E152-G246 PolarHBondContact O-N 2.88Å; E152-G246 VanDerWaalsContact O-O 3.13Å
153	R	97.9	Very high	96.3	Very high	152 Å²	152	54.5 Å²	54.5	57%	0.574	27%	0.268	S	S	*	.	S	Bend	trans	-67.2	-33.2	-177.5	59.6	168.1	-166.1	158	11	113.4	G246 K266	R153-G246 VanDerWaalsContact CA-O 3.29Å; R153-G246 WeakPolarHBondContact CA-O 3.39Å; R153-G246 PolarHBondContact N-O 3.48Å; R153-K266 PolarHBondContact O-NZ 3.05Å
154	D	98	Very high	96.3	Very high	64 Å²	64	50.1 Å²	50.1	34%	0.342	25%	0.252	S	S	.	.			trans	-146.4	111	-179.7	-164.4	-5.9	0	0	0	111.1	E152 K156 R232 E245 K266	E152-D154 VanDerWaalsContact C-N 3.33Å; E152-D154 VanDerWaalsContact CG-O 3.31Å; E152-D154 WeakPolarHBondContact CG-O 3.1Å; E152-D154 PolarHBondContact O-N 2.84Å; E152-D154 PolarHBondContact OE1-N 3.1Å; E152-D154 VanDerWaalsContact OE1-N 3.16Å; D154-K156 VanDerWaalsContact C-N 3.29Å; D154-K156 VanDerWaalsContact OD1-CB 3.31Å; D154-K156 WeakPolarHBondContact OD1-CB 3.46Å; D154-K156 WeakPolarHBondContact OD1-CG 3.39Å; D154-K156 PolarHBondContact OD1-N 3.06Å; D154-K156 VanDerWaalsContact OD1-N 3.09Å; D154-R232 PolarHBondContact O-NH1 3.25Å; D154-R232 PolarHBondContact O-NH2 3.42Å; D154-E245 WeakPolarHBondContact CA-OE1 3.38Å; D154-K266 IonicContact OD1-NZ 3.55Å
155	L	97.9	Very high	96.3	Very high	36 Å²	36	48.7 Å²	48.7	19%	0.188	24%	0.244	C	C	.	.			trans	-82.5	-6.6	179.7	-71.3	177.7	0	0	0	113.1	E152 R232 M236 F243 E245	E152-L155 HydrophobicContact CB-CD2 3.79Å; E152-L155 HydrophobicContact CB-CG 4.48Å; E152-L155 HydrophobicContact CG-CD2 3.88Å; E152-L155 HydrophobicContact CG-CG 4.47Å; L155-R232 PolarHBondContact O-NH1 3.13Å; L155-M236 HydrophobicContact CD1-CE 4.18Å; L155-M236 HydrophobicContact CD2-CE 4.05Å; L155-F243 HydrophobicContact CD1-CB 4.48Å; L155-F243 HydrophobicContact CD2-CD1 3.78Å; L155-F243 HydrophobicContact CD2-CE1 4.36Å; L155-E245 HydrophobicContact CB-CG 4.37Å; L155-E245 HydrophobicContact CD1-CB 3.88Å; L155-E245 HydrophobicContact CD1-CG 4.19Å; L155-E245 HydrophobicContact CG-CB 4.18Å; L155-E245 HydrophobicContact CG-CG 3.96Å; L155-E245 PolarHBondContact N-OE1 2.89Å
156	K	98.1	Very high	96.4	Very high	152 Å²	152	46.2 Å²	46.2	66%	0.661	22%	0.218	S	C	*	.	S	Bend	trans	-68.4	163.6	172.7	-61.8	-179.2	-178.8	-177.6	0	111.8	D154 P158 R232	D154-K156 VanDerWaalsContact C-N 3.29Å; D154-K156 VanDerWaalsContact OD1-CB 3.31Å; D154-K156 WeakPolarHBondContact OD1-CB 3.46Å; D154-K156 WeakPolarHBondContact OD1-CG 3.39Å; D154-K156 PolarHBondContact OD1-N 3.06Å; D154-K156 VanDerWaalsContact OD1-N 3.09Å; K156-P158 WeakPolarHBondContact O-CD 3.46Å; K156-R232 PolarHBondContact O-NH1 3.48Å
157	E	98	Very high	96.4	Very high	108 Å²	108	44.8 Å²	44.8	51%	0.505	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-59.6	120.5	178.6	-176.1	169.9	162.2	0	0	110.9	G225 R226 M229	E157-G225 VanDerWaalsContact CG-C 3.49Å; E157-G225 VanDerWaalsContact CG-CA 3.49Å; E157-R226 VanDerWaalsContact OE1-CG 3.32Å; E157-R226 WeakPolarHBondContact OE1-CG 3.49Å; E157-R226 PolarHBondContact OE1-N 2.81Å; E157-M229 HydrophobicContact CB-CG 3.85Å; E157-M229 HydrophobicContact CB-SD 4.37Å; E157-M229 HydrophobicContact CG-CG 4.02Å
158	P	96.3	Very high	96.4	Very high	25 Å²	25	41.3 Å²	41.3	16%	0.162	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-78.3	126.8	-179.9	28.1	-31.2	0	0	0	111.5	K156 G225 I228	K156-P158 WeakPolarHBondContact O-CD 3.46Å; P158-G225 WeakPolarHBondContact O-CA 3.44Å; P158-G225 PolarHBondContact O-N 2.97Å; P158-I228 HydrophobicContact CG-CB 3.83Å; P158-I228 HydrophobicContact CG-CG1 3.9Å; P158-I228 HydrophobicContact CG-CG2 3.88Å
159	D	94.1	Very high	96.3	Very high	116 Å²	116	41.4 Å²	41.4	62%	0.62	20%	0.202	S	C	*	.			trans	-92.2	103.8	172.5	171.3	19.7	0	0	0	110.3	R384	D159-R384 VanDerWaalsContact C-NH1 3.3Å; D159-R384 PolarHBondContact O-NH1 2.81Å; D159-R384 IonicContact OD1-CZ 2.75Å; D159-R384 IonicContact OD1-NH1 3.36Å; D159-R384 PolarHBondContact OD1-NH1 2.77Å; D159-R384 IonicContact OD1-NH2 3.61Å; D159-R384 IonicContact OD2-CZ 2.93Å; D159-R384 IonicContact OD2-NH1 3.03Å; D159-R384 PolarHBondContact OD2-NH1 3.31Å; D159-R384 IonicContact OD2-NH2 3.85Å; D159-R384 PolarHBondContact OD2-NH2 2.82Å
160	R	92.3	Very high	96.3	Very high	89 Å²	89	40.9 Å²	40.9	34%	0.336	20%	0.199	S	C	.	.			trans	-141.9	154.1	-177.6	-60.9	-175.1	-178.5	-133.5	5.4	111.2
161	I	90.7	Very high	96.2	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.026	21%	0.206	C	C	.	.	S	Bend	trans	-96.3	6.2	178.4	64	168.1	0	0	0	114.5	L343 R384 M386	I161-L343 HydrophobicContact CD1-CD2 4.33Å; I161-R384 HydrophobicContact CD1-CB 3.95Å; I161-R384 VanDerWaalsContact CD1-O 3.23Å; I161-R384 WeakPolarHBondContact CD1-O 3.12Å; I161-R384 HydrophobicContact CG2-CB 3.77Å; I161-R384 HydrophobicContact CG2-CG 4.4Å; I161-M386 HydrophobicContact CD1-CB 4.31Å; I161-M386 HydrophobicContact CD1-CG 3.99Å; I161-M386 HydrophobicContact CG1-CB 4.43Å; I161-M386 HydrophobicContact CG1-CG 3.76Å
162	V	84.5	Confident	96.1	Very high	37 Å²	37	45.6 Å²	45.6	22%	0.224	22%	0.217	C	C	.	.	S	Bend	trans	-125	153.1	-177.4	-68	0	0	0	0	110.1	H224 M386	V162-H224 VanDerWaalsContact O-CG 3.31Å; V162-H224 PolarHBondContact O-ND1 3.26Å; V162-M386 HydrophobicContact CG1-CB 4.03Å; V162-M386 HydrophobicContact CG1-CG 4.12Å; V162-M386 HydrophobicContact CG2-CE 4.15Å
163	G	92.6	Very high	96.1	Very high	25 Å²	25	44.6 Å²	44.6	26%	0.258	21%	0.213	S	C	.	.	S	Bend	trans	76.4	34.3	-178.5	0	0	0	0	0	113	H224 M419	G163-H224 PolarHBondContact O-ND1 3.08Å; G163-M419 WeakPolarHBondContact O-CE 3.19Å; G163-M419 VanDerWaalsContact O-SD 3.37Å
164	E	97.6	Very high	96.1	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.019	19%	0.185	C	C	.	.			trans	-103	-6	-178.4	-68.8	-178.3	142.5	0	0	113.1	A221 F222 H224 Y333 I335 R341	E164-A221 CarbonylContact O-C 3.5Å; E164-A221 WeakPolarHBondContact O-CA 3.45Å; E164-F222 VanDerWaalsContact CA-O 3.3Å; E164-F222 WeakPolarHBondContact CA-O 3.24Å; E164-F222 WeakPolarHBondContact CB-O 3.19Å; E164-F222 WeakPolarHBondContact CG-O 3.33Å; E164-F222 PolarHBondContact O-N 3.06Å; E164-H224 HydrophobicContact CG-CB 3.89Å; E164-Y333 HydrophobicContact CB-CE2 3.81Å; E164-I335 HydrophobicContact CB-CG2 4.06Å; E164-R341 IonicContact OE1-CZ 3.81Å; E164-R341 IonicContact OE1-NE 3.97Å; E164-R341 IonicContact OE1-NH2 3.24Å; E164-R341 PolarHBondContact OE1-NH2 2.72Å; E164-R341 WeakPolarHBondContact OE2-CG 3.43Å; E164-R341 IonicContact OE2-CZ 2.95Å; E164-R341 IonicContact OE2-NE 3.17Å; E164-R341 PolarHBondContact OE2-NE 3.32Å; E164-R341 IonicContact OE2-NH2 2.94Å; E164-R341 PolarHBondContact OE2-NH2 2.89Å
165	L	97.7	Very high	96	Very high	13 Å²	13	39.8 Å²	39.8	7%	0.068	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	116.5	176.2	179.5	64.9	0	0	0	110.4	V191 Y194 A221 Y333 M419	L165-V191 HydrophobicContact CD1-CB 4.33Å; L165-V191 HydrophobicContact CD1-CG2 3.75Å; L165-Y194 HydrophobicContact CD2-CE1 4.27Å; L165-Y194 VanDerWaalsContact CD2-OH 3.27Å; L165-Y194 WeakPolarHBondContact CD2-OH 3.41Å; L165-A221 HydrophobicContact CD1-CB 3.86Å; L165-Y333 HydrophobicContact CB-CD2 4.36Å; L165-Y333 HydrophobicContact CB-CE2 4.23Å; L165-Y333 HydrophobicContact CD2-CD1 4.49Å; L165-M419 WeakPolarHBondContact O-CE 3.34Å
166	L	98.1	Very high	96	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	114.3	175.8	-174.6	62.3	0	0	0	110	F171 L174 G219 R220 F222 M419 L423	L166-F171 HydrophobicContact CD2-CB 4.01Å; L166-F171 HydrophobicContact CD2-CD2 4.19Å; L166-F171 HydrophobicContact CG-CB 4.29Å; L166-L174 HydrophobicContact CD2-CD2 4.27Å; L166-G219 VanDerWaalsContact O-CA 3.22Å; L166-G219 WeakPolarHBondContact O-CA 3.24Å; L166-R220 PolarHBondContact N-O 3.49Å; L166-R220 PolarHBondContact O-N 3.47Å; L166-F222 HydrophobicContact CB-CE1 3.95Å; L166-F222 HydrophobicContact CB-CZ 3.96Å; L166-M419 HydrophobicContact CB-CE 4Å; L166-M419 HydrophobicContact CD1-CB 3.82Å; L166-M419 HydrophobicContact CD1-CE 4.22Å; L166-L423 HydrophobicContact CD1-CD1 3.94Å
167	Q	98.1	Very high	96	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.176	C	C	.	.			trans	-61.1	152.7	176.5	-65.4	-67.1	-11.2	0	0	111.4	G169 G170 F171 Y194 Y209 T415 V509	Q167-G169 VanDerWaalsContact C-N 3.29Å; Q167-G169 PolarHBondContact O-N 3.39Å; Q167-G169 VanDerWaalsContact O-N 3.17Å; Q167-G170 WeakPolarHBondContact O-CA 3.29Å; Q167-G170 PolarHBondContact O-N 2.87Å; Q167-F171 PolarHBondContact O-N 3.46Å; Q167-Y194 PolarHBondContact NE2-OH 3.26Å; Q167-Y209 PolarHBondContact OE1-OH 2.74Å; Q167-T415 PolarHBondContact NE2-O 3.25Å; Q167-V509 HydrophobicContact CB-CG2 4.46Å
168	P	97.9	Very high	96	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-51.3	-41.2	-179.8	-28.4	32.7	0	0	0	114.8	G170 F171 R172 Y209 Q217 L510	P168-G170 VanDerWaalsContact C-N 3.31Å; P168-G170 PolarHBondContact O-N 3.18Å; P168-F171 PolarHBondContact O-N 3.01Å; P168-R172 WeakPolarHBondContact O-CB 3.44Å; P168-R172 PolarHBondContact O-N 2.87Å; P168-Y209 HydrophobicContact CG-CD1 3.76Å; P168-Y209 HydrophobicContact CG-CD2 3.88Å; P168-Y209 HydrophobicContact CG-CE1 3.66Å; P168-Y209 HydrophobicContact CG-CE2 3.8Å; P168-Y209 HydrophobicContact CG-CG 3.88Å; P168-Q217 HydrophobicContact CB-CB 4.45Å; P168-Q217 WeakPolarHBondContact CB-O 3.25Å; P168-Q217 WeakPolarHBondContact CG-O 3.42Å; P168-L510 HydrophobicContact CB-CD1 3.76Å; P168-L510 HydrophobicContact CB-CD2 3.86Å; P168-L510 HydrophobicContact CB-CG 3.88Å; P168-L510 HydrophobicContact CG-CD1 4.45Å
169	G	97.4	Very high	96.1	Very high	4 Å²	4	31.7 Å²	31.7	4%	0.041	17%	0.166	C	C	.	.	H	α-helix	trans	-68.5	-27.8	176.7	0	0	0	0	0	113.6	Q167 A173 S508	Q167-G169 VanDerWaalsContact C-N 3.29Å; Q167-G169 PolarHBondContact O-N 3.39Å; Q167-G169 VanDerWaalsContact O-N 3.17Å; G169-A173 PolarHBondContact O-N 3.01Å; G169-A173 VanDerWaalsContact O-N 3.14Å; G169-S508 WeakPolarHBondContact CA-O 3.47Å; G169-S508 PolarHBondContact N-O 3.07Å
170	G	97.9	Very high	96.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-72.7	-40.6	169.7	0	0	0	0	0	112.1	Q167 P168 A173 L174 S420 L423	Q167-G170 WeakPolarHBondContact O-CA 3.29Å; Q167-G170 PolarHBondContact O-N 2.87Å; P168-G170 VanDerWaalsContact C-N 3.31Å; P168-G170 PolarHBondContact O-N 3.18Å; G170-A173 PolarHBondContact O-N 3.41Å; G170-L174 PolarHBondContact O-N 3.39Å; G170-S420 WeakPolarHBondContact CA-OG 3.3Å; G170-L423 WeakPolarHBondContact O-CD1 3.48Å
171	F	97.6	Very high	96.2	Very high	36 Å²	36	28 Å²	28	16%	0.158	16%	0.16	C	C	.	.	H	α-helix	trans	-65.7	-38.6	175.1	-174.5	-122.5	0	0	0	112	L166 Q167 P168 L174 R175 V183 R220	L166-F171 HydrophobicContact CD2-CB 4.01Å; L166-F171 HydrophobicContact CD2-CD2 4.19Å; L166-F171 HydrophobicContact CG-CB 4.29Å; Q167-F171 PolarHBondContact O-N 3.46Å; P168-F171 PolarHBondContact O-N 3.01Å; F171-L174 HydrophobicContact CD2-CD2 4.25Å; F171-L174 HydrophobicContact CE2-CD2 4.49Å; F171-L174 WeakPolarHBondContact O-CB 3.03Å; F171-L174 PolarHBondContact O-N 3.23Å; F171-R175 PolarHBondContact O-N 2.89Å; F171-V183 HydrophobicContact CD2-CG2 4.32Å; F171-V183 HydrophobicContact CE2-CG2 3.54Å; F171-V183 HydrophobicContact CZ-CG2 4.34Å; F171-R220 HydrophobicContact CD2-CG 4.21Å; F171-R220 HydrophobicContact CE2-CG 4.31Å; F171-R220 HydrophobicContact CG-CG 4.44Å
172	R	97.1	Very high	96.4	Very high	66 Å²	66	28 Å²	28	25%	0.249	16%	0.161	C	C	.	.	H	α-helix	trans	-57.4	-49.6	169.8	-179.3	-176.3	-64.5	-167.1	-12.9	111.6	P168 L174 R175 D176 E212 Q217	P168-R172 WeakPolarHBondContact O-CB 3.44Å; P168-R172 PolarHBondContact O-N 2.87Å; R172-L174 VanDerWaalsContact C-N 3.3Å; R172-L174 PolarHBondContact O-N 2.91Å; R172-R175 WeakPolarHBondContact O-CB 3.34Å; R172-R175 PolarHBondContact O-N 3.21Å; R172-D176 PolarHBondContact O-N 3.17Å; R172-E212 IonicContact NH2-OE2 3.76Å; R172-E212 PolarHBondContact NH2-OE2 3.34Å; R172-Q217 VanDerWaalsContact NH2-OE1 3.09Å
173	A	98.2	Very high	96.8	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	15%	0.153	C	C	.	.	H	α-helix	trans	-60.2	-40.2	176.5	0	0	0	0	0	111.9	G169 G170 R175 D176 L177 L423	G169-A173 PolarHBondContact O-N 3.01Å; G169-A173 VanDerWaalsContact O-N 3.14Å; G170-A173 PolarHBondContact O-N 3.41Å; A173-R175 VanDerWaalsContact C-N 3.32Å; A173-R175 PolarHBondContact O-N 3.41Å; A173-D176 PolarHBondContact O-N 3Å; A173-L177 VanDerWaalsContact O-CG 3.25Å; A173-L177 WeakPolarHBondContact O-CG 3.39Å; A173-L177 PolarHBondContact O-N 3.25Å; A173-L423 HydrophobicContact CB-CB 3.91Å
174	L	98	Very high	96.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.8	-43.1	175.4	-168	72.1	0	0	0	112.1	L166 G170 F171 R172 L177 G178 L179 V183 F227 L231 L423	L166-L174 HydrophobicContact CD2-CD2 4.27Å; G170-L174 PolarHBondContact O-N 3.39Å; F171-L174 HydrophobicContact CD2-CD2 4.25Å; F171-L174 HydrophobicContact CE2-CD2 4.49Å; F171-L174 WeakPolarHBondContact O-CB 3.03Å; F171-L174 PolarHBondContact O-N 3.23Å; R172-L174 VanDerWaalsContact C-N 3.3Å; R172-L174 PolarHBondContact O-N 2.91Å; L174-L177 PolarHBondContact O-N 3.41Å; L174-G178 PolarHBondContact O-N 3.16Å; L174-L179 HydrophobicContact CD1-CB 3.6Å; L174-L179 HydrophobicContact CD1-CD1 4.44Å; L174-L179 HydrophobicContact CG-CB 4Å; L174-L179 PolarHBondContact O-N 3.24Å; L174-V183 HydrophobicContact CD2-CG1 3.87Å; L174-F227 HydrophobicContact CD1-CE2 4.45Å; L174-F227 HydrophobicContact CD1-CZ 4.34Å; L174-F227 HydrophobicContact CD2-CE2 4.02Å; L174-F227 HydrophobicContact CD2-CZ 4.39Å; L174-L231 HydrophobicContact CD1-CD2 3.99Å; L174-L423 HydrophobicContact CB-CD1 4.16Å; L174-L423 HydrophobicContact CD1-CD1 4.16Å; L174-L423 HydrophobicContact CD1-CD2 3.88Å
175	R	97	Very high	96.4	Very high	115 Å²	115	36 Å²	36	43%	0.434	21%	0.212	S	C	.	.	H	α-helix	trans	-65.3	-44.3	174	175.4	176.7	71.7	-168.3	0.9	112.4	F171 R172 A173 L177 G178 E180	F171-R175 PolarHBondContact O-N 2.89Å; R172-R175 WeakPolarHBondContact O-CB 3.34Å; R172-R175 PolarHBondContact O-N 3.21Å; A173-R175 VanDerWaalsContact C-N 3.32Å; A173-R175 PolarHBondContact O-N 3.41Å; R175-L177 PolarHBondContact O-N 3.18Å; R175-G178 WeakPolarHBondContact O-CA 3.44Å; R175-G178 PolarHBondContact O-N 3.44Å; R175-E180 HydrophobicContact CB-CB 4.38Å; R175-E180 WeakPolarHBondContact CD-OE2 3.37Å; R175-E180 WeakPolarHBondContact CG-OE2 3.48Å
176	D	97.6	Very high	96.2	Very high	100 Å²	100	35.9 Å²	35.9	54%	0.535	21%	0.212	S	C	.	.	H	α-helix	trans	-63.1	-26.3	178.8	-62.7	-15.5	0	0	0	111.8	R172 A173 G178	R172-D176 PolarHBondContact O-N 3.17Å; A173-D176 PolarHBondContact O-N 3Å; D176-G178 VanDerWaalsContact C-N 3.32Å
177	L	98.3	Very high	96.1	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.021	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.4	171.5	-65.1	176.1	0	0	0	113.7	V140 R143 A173 L174 R175 L179 L423 V426 C427	V140-L177 HydrophobicContact CG1-CB 3.91Å; V140-L177 HydrophobicContact CG1-CD2 4Å; V140-L177 HydrophobicContact CG1-CG 4.35Å; R143-L177 PolarHBondContact NH1-O 3.32Å; A173-L177 VanDerWaalsContact O-CG 3.25Å; A173-L177 WeakPolarHBondContact O-CG 3.39Å; A173-L177 PolarHBondContact O-N 3.25Å; L174-L177 PolarHBondContact O-N 3.41Å; R175-L177 PolarHBondContact O-N 3.18Å; L177-L179 HydrophobicContact CB-CD1 4.08Å; L177-L179 HydrophobicContact CB-CG 4.2Å; L177-L179 HydrophobicContact CD1-CD1 4.49Å; L177-L423 HydrophobicContact CD1-CD2 4.21Å; L177-V426 HydrophobicContact CD1-CB 4.09Å; L177-V426 HydrophobicContact CD1-CG1 3.72Å; L177-V426 HydrophobicContact CD2-CG1 4.04Å; L177-C427 HydrophobicContact CD2-CB 4.4Å; L177-C427 VanDerWaalsContact CD2-SG 3.59Å
178	G	98.1	Very high	96	Very high	43 Å²	43	40.8 Å²	40.8	44%	0.443	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	31.5	-175.5	0	0	0	0	0	113.1	R143 L174 R175 D176	R143-G178 PolarHBondContact NH1-O 3.02Å; L174-G178 PolarHBondContact O-N 3.16Å; R175-G178 WeakPolarHBondContact O-CA 3.44Å; R175-G178 PolarHBondContact O-N 3.44Å; D176-G178 VanDerWaalsContact C-N 3.32Å
179	L	97.9	Very high	96	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	25%	0.247	C	C	.	.			trans	-115.3	12.6	-175.7	-66.1	174.9	0	0	0	113	A136 A139 V140 L174 L177 G181 S182 L231 A234	A136-L179 HydrophobicContact CB-CD1 3.76Å; A139-L179 HydrophobicContact CB-CD2 3.86Å; V140-L179 HydrophobicContact CG1-CD1 4.1Å; L174-L179 HydrophobicContact CD1-CB 3.6Å; L174-L179 HydrophobicContact CD1-CD1 4.44Å; L174-L179 HydrophobicContact CG-CB 4Å; L174-L179 PolarHBondContact O-N 3.24Å; L177-L179 HydrophobicContact CB-CD1 4.08Å; L177-L179 HydrophobicContact CB-CG 4.2Å; L177-L179 HydrophobicContact CD1-CD1 4.49Å; L179-G181 VanDerWaalsContact C-N 3.26Å; L179-G181 PolarHBondContact O-N 3Å; L179-S182 WeakPolarHBondContact O-CB 3.25Å; L179-S182 PolarHBondContact O-N 3.09Å; L179-S182 PolarHBondContact O-OG 2.84Å; L179-L231 HydrophobicContact CD1-CD2 4.26Å; L179-A234 HydrophobicContact CD2-CB 3.93Å
180	E	94.9	Very high	95.9	Very high	86 Å²	86	45.2 Å²	45.2	40%	0.402	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-58.2	-34.2	-177.4	64.6	-168.7	171.9	0	0	113.7	R175 S182 V183	R175-E180 HydrophobicContact CB-CB 4.38Å; R175-E180 WeakPolarHBondContact CD-OE2 3.37Å; R175-E180 WeakPolarHBondContact CG-OE2 3.48Å; E180-S182 PolarHBondContact O-N 3.45Å; E180-V183 WeakPolarHBondContact O-CG2 3.33Å; E180-V183 PolarHBondContact O-N 3.31Å
181	G	93.4	Very high	95.9	Very high	42 Å²	42	45.3 Å²	45.3	43%	0.433	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-58.8	-15.4	173.9	0	0	0	0	0	114.1	L179 V183 E184	L179-G181 VanDerWaalsContact C-N 3.26Å; L179-G181 PolarHBondContact O-N 3Å; G181-V183 PolarHBondContact O-N 3.02Å; G181-E184 PolarHBondContact O-N 2.85Å
182	S	94.4	Very high	95.9	Very high	5 Å²	5	45.1 Å²	45.1	4%	0.035	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-68.8	-14.5	176.2	-48.1	0	0	0	0	113.5	L179 E180 L186	L179-S182 WeakPolarHBondContact O-CB 3.25Å; L179-S182 PolarHBondContact O-N 3.09Å; L179-S182 PolarHBondContact O-OG 2.84Å; E180-S182 PolarHBondContact O-N 3.45Å; S182-L186 WeakPolarHBondContact O-CD1 3.3Å
183	V	92.1	Very high	95.9	Very high	12 Å²	12	42 Å²	42	7%	0.073	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-105.1	1.1	174.2	-60.6	0	0	0	0	113.5	F171 L174 E180 G181 L186 F222 F227	F171-V183 HydrophobicContact CD2-CG2 4.32Å; F171-V183 HydrophobicContact CE2-CG2 3.54Å; F171-V183 HydrophobicContact CZ-CG2 4.34Å; L174-V183 HydrophobicContact CD2-CG1 3.87Å; E180-V183 WeakPolarHBondContact O-CG2 3.33Å; E180-V183 PolarHBondContact O-N 3.31Å; G181-V183 PolarHBondContact O-N 3.02Å; V183-L186 HydrophobicContact CB-CD1 4.47Å; V183-F222 HydrophobicContact CG1-CD1 4.34Å; V183-F222 HydrophobicContact CG1-CE1 3.91Å; V183-F227 HydrophobicContact CG1-CD2 3.61Å; V183-F227 HydrophobicContact CG1-CE2 3.58Å
184	E	90.1	Very high	95.9	Very high	134 Å²	134	42.8 Å²	42.8	63%	0.626	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	146.3	177.4	-65.9	-178.5	177	0	0	111.4	G181 L186	G181-E184 PolarHBondContact O-N 2.85Å; E184-L186 WeakPolarHBondContact O-CD2 3.3Å; E184-L186 PolarHBondContact O-N 2.64Å
185	G	92.2	Very high	95.9	Very high	86 Å²	86	42.9 Å²	42.9	89%	0.887	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	11.9	178.1	0	0	0	0	0	115.2	D187	G185-D187 VanDerWaalsContact C-N 3.34Å
186	L	94.2	Very high	96	Very high	12 Å²	12	38 Å²	38	6%	0.063	24%	0.237	C	C	.	.	S	Bend	trans	-87.8	-1.8	-179.3	-49.1	-170.4	0	0	0	114.1	S182 V183 E184 A188 F222 R226 F227	S182-L186 WeakPolarHBondContact O-CD1 3.3Å; V183-L186 HydrophobicContact CB-CD1 4.47Å; E184-L186 WeakPolarHBondContact O-CD2 3.3Å; E184-L186 PolarHBondContact O-N 2.64Å; L186-A188 HydrophobicContact CB-CB 4.39Å; L186-F222 HydrophobicContact CD1-CB 4.45Å; L186-R226 HydrophobicContact CB-CB 4.18Å; L186-R226 HydrophobicContact CD1-CB 4.24Å; L186-R226 HydrophobicContact CD2-CB 4.01Å; L186-R226 HydrophobicContact CG-CB 4.36Å; L186-R226 WeakPolarHBondContact O-CD 3.4Å; L186-R226 PolarHBondContact O-NH1 3.17Å; L186-F227 HydrophobicContact CD1-CB 3.99Å
187	D	96.6	Very high	96	Very high	70 Å²	70	33.8 Å²	33.8	37%	0.374	21%	0.214	S	C	.	.			trans	55.4	43.5	-159.1	-168.9	22.3	0	0	0	110.8	G185 S336 S337	G185-D187 VanDerWaalsContact C-N 3.34Å; D187-S336 WeakPolarHBondContact O-CA 3.41Å; D187-S336 WeakPolarHBondContact OD2-CB 3.43Å; D187-S337 WeakPolarHBondContact OD1-CB 3.47Å; D187-S337 PolarHBondContact OD1-N 3.28Å; D187-S337 WeakPolarHBondContact OD2-CB 3.36Å; D187-S337 PolarHBondContact OD2-N 3.29Å; D187-S337 PolarHBondContact OD2-OG 2.87Å
188	A	95.5	Very high	95.9	Very high	32 Å²	32	33.9 Å²	33.9	26%	0.264	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-74.3	135.9	-180	0	0	0	0	0	110.8	L186 A221 F222	L186-A188 HydrophobicContact CB-CB 4.39Å; A188-A221 CarbonylContact C-O 3.51Å; A188-A221 VanDerWaalsContact CA-O 3.27Å; A188-A221 WeakPolarHBondContact CA-O 3.45Å; A188-F222 HydrophobicContact CB-CB 4Å; A188-F222 HydrophobicContact CB-CD1 4.29Å
189	H	96.7	Very high	95.6	Very high	25 Å²	25	34.4 Å²	34.4	12%	0.116	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	137.1	176	-171.1	80.1	0	0	0	111.3	R220 A221 Q314 Q334	H189-R220 WeakPolarHBondContact O-CA 3.38Å; H189-A221 HydrophobicContact CB-CB 4.39Å; H189-A221 PolarHBondContact N-O 2.94Å; H189-A221 PolarHBondContact O-N 2.88Å; H189-Q314 PolarHBondContact NE2-NE2 2.77Å; H189-Q334 HydrophobicContact CB-CB 4.48Å; H189-Q334 HydrophobicContact CB-CG 4.42Å; H189-Q334 WeakPolarHBondContact CB-O 3.44Å; H189-Q334 PolarHBondContact CE1-OE1 2.84Å; H189-Q334 VanDerWaalsContact CE1-OE1 3.31Å
190	Q	96.4	Very high	95.1	Very high	76 Å²	76	37.5 Å²	37.5	36%	0.355	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	134.7	175.1	178	172.1	-22.1	0	0	110.3	N192 C218 N318	Q190-N192 PolarHBondContact NE2-OD1 3.26Å; Q190-C218 HydrophobicContact CG-CB 3.76Å; Q190-C218 PolarHBondContact NE2-SG 3.47Å; Q190-C218 VanDerWaalsContact NE2-SG 3.39Å; Q190-N318 WeakPolarHBondContact O-CB 3.29Å; Q190-N318 PolarHBondContact O-OD1 3.39Å
191	V	97.6	Very high	95	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	117.4	177.6	-172.3	0	0	0	0	109.9	L165 G193 Y209 C218 G219 A221 N318 A320	L165-V191 HydrophobicContact CD1-CB 4.33Å; L165-V191 HydrophobicContact CD1-CG2 3.75Å; V191-G193 WeakPolarHBondContact CG1-O 3.37Å; V191-Y209 HydrophobicContact CB-CE2 4.37Å; V191-Y209 HydrophobicContact CG1-CE2 3.99Å; V191-Y209 VanDerWaalsContact O-CD2 3.27Å; V191-Y209 WeakPolarHBondContact O-CD2 3.35Å; V191-Y209 VanDerWaalsContact O-CE2 3.32Å; V191-Y209 WeakPolarHBondContact O-CE2 3.33Å; V191-C218 CarbonylContact O-C 3.41Å; V191-C218 VanDerWaalsContact O-CA 3.25Å; V191-C218 WeakPolarHBondContact O-CA 3.29Å; V191-C218 VanDerWaalsContact O-CB 3.23Å; V191-C218 WeakPolarHBondContact O-CB 3.32Å; V191-G219 PolarHBondContact N-O 3.33Å; V191-G219 VanDerWaalsContact N-O 3.09Å; V191-G219 PolarHBondContact O-N 3.08Å; V191-A221 HydrophobicContact CG2-CB 3.98Å; V191-N318 CarbonylContact C-O 3.43Å; V191-N318 WeakPolarHBondContact CA-O 3.41Å; V191-A320 HydrophobicContact CG1-CB 4.11Å
192	N	97.7	Very high	94.9	Very high	32 Å²	32	42.1 Å²	42.1	17%	0.171	24%	0.239	C	C	.	.			trans	-99	-8.1	-177.4	-68.7	-21.3	0	0	0	113.4	Q190 Y209 V216 C218 N318	Q190-N192 PolarHBondContact NE2-OD1 3.26Å; N192-Y209 WeakPolarHBondContact O-CB 3.26Å; N192-Y209 WeakPolarHBondContact O-CD2 3.35Å; N192-Y209 PolarHBondContact O-N 2.97Å; N192-V216 HydrophobicContact CB-CG1 4.23Å; N192-C218 WeakPolarHBondContact OD1-CB 3.02Å; N192-N318 HydrophobicContact CB-CB 4.19Å; N192-N318 PolarHBondContact N-O 2.86Å; N192-N318 WeakPolarHBondContact ND2-CB 3.34Å
193	G	97.5	Very high	95	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.7	-163.8	176.9	0	0	0	0	0	112.1	V191 I207 H319 A320	V191-G193 WeakPolarHBondContact CG1-O 3.37Å; G193-I207 CarbonylContact C-O 3.56Å; G193-I207 WeakPolarHBondContact CA-O 3.11Å; G193-H319 VanDerWaalsContact C-CD2 3.43Å; G193-H319 WeakPolarHBondContact O-CA 3.41Å; G193-A320 PolarHBondContact O-N 3.1Å
194	Y	98.1	Very high	95.2	Very high	18 Å²	18	46.8 Å²	46.8	7%	0.071	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	154.4	174.8	-64	-93.2	0	0	0	111.8	L165 Q167 I207 Y209 A320 I504 L507	L165-Y194 HydrophobicContact CD2-CE1 4.27Å; L165-Y194 VanDerWaalsContact CD2-OH 3.27Å; L165-Y194 WeakPolarHBondContact CD2-OH 3.41Å; Q167-Y194 PolarHBondContact NE2-OH 3.26Å; Y194-I207 PolarHBondContact N-O 3.45Å; Y194-I207 PolarHBondContact O-N 3Å; Y194-Y209 AromaticContact CE2-CE1 3.97Å; Y194-Y209 HydrophobicContact CE2-CE1 3.97Å; Y194-Y209 AromaticContact CE2-CZ 3.64Å; Y194-Y209 WeakPolarHBondContact CE2-OH 3.5Å; Y194-Y209 PolarHBondContact OH-OH 3.09Å; Y194-A320 CarbonylContact C-O 3.5Å; Y194-A320 WeakPolarHBondContact CA-O 3.32Å; Y194-A320 HydrophobicContact CD1-CB 3.47Å; Y194-A320 VanDerWaalsContact CD1-CB 3.47Å; Y194-A320 HydrophobicContact CE1-CB 3.49Å; Y194-A320 VanDerWaalsContact CE1-CB 3.49Å; Y194-A320 HydrophobicContact CG-CB 4.41Å; Y194-I504 HydrophobicContact CD2-CD1 4.41Å; Y194-L507 HydrophobicContact CD2-CD2 4.04Å; Y194-L507 HydrophobicContact CE2-CD2 3.75Å
195	V	98.3	Very high	95.6	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.3	159.8	-176.6	0	0	0	0	107.4	H197 E204 F315 K316 H319 A320 E321 L322	V195-H197 WeakPolarHBondContact CG1-NE2 3.34Å; V195-E204 HydrophobicContact CG1-CB 4.09Å; V195-F315 HydrophobicContact CB-CD1 4.44Å; V195-F315 HydrophobicContact CG1-CD1 3.88Å; V195-F315 HydrophobicContact CG1-CE1 4.15Å; V195-F315 HydrophobicContact CG1-CG 4.48Å; V195-F315 HydrophobicContact CG2-CD1 4Å; V195-K316 HydrophobicContact CG2-CB 4.07Å; V195-H319 HydrophobicContact CG2-CB 4.02Å; V195-A320 PolarHBondContact N-O 2.99Å; V195-E321 HydrophobicContact CB-CG 4.49Å; V195-E321 CarbonylContact O-C 3.31Å; V195-E321 WeakPolarHBondContact O-CA 3.46Å; V195-L322 PolarHBondContact O-N 2.89Å
196	I	98.3	Very high	95.8	Very high	12 Å²	12	40.7 Å²	40.7	6%	0.062	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	121.2	175.1	-54	178.3	0	0	0	107.7	E204 V205 I207 L322 L324 F490 F493	I196-E204 CarbonylContact O-C 3.54Å; I196-E204 WeakPolarHBondContact O-CA 3.24Å; I196-V205 HydrophobicContact CB-CG1 3.87Å; I196-V205 HydrophobicContact CD1-CG1 4.4Å; I196-V205 HydrophobicContact CG1-CG1 4.41Å; I196-V205 PolarHBondContact N-O 2.87Å; I196-V205 PolarHBondContact O-N 2.83Å; I196-I207 HydrophobicContact CD1-CD1 4.38Å; I196-I207 HydrophobicContact CD1-CG1 3.82Å; I196-I207 HydrophobicContact CG1-CG1 4.08Å; I196-L322 CarbonylContact C-O 3.43Å; I196-L322 WeakPolarHBondContact CA-O 3.33Å; I196-L322 HydrophobicContact CD1-CD2 4.41Å; I196-L322 HydrophobicContact CG1-CB 4.38Å; I196-L322 HydrophobicContact CG1-CD2 4.28Å; I196-L322 HydrophobicContact CG2-CD2 4.28Å; I196-L322 HydrophobicContact CG2-CG 4.46Å; I196-L324 HydrophobicContact CG2-CD1 3.89Å; I196-L324 HydrophobicContact CG2-CD2 4.36Å; I196-L324 HydrophobicContact CG2-CG 3.83Å; I196-F490 HydrophobicContact CB-CE2 4.44Å; I196-F490 HydrophobicContact CG2-CD2 3.96Å; I196-F490 HydrophobicContact CG2-CE2 4.16Å; I196-F493 HydrophobicContact CD1-CD2 3.86Å; I196-F493 HydrophobicContact CD1-CE2 3.79Å
197	H	98.2	Very high	95.9	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.056	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	122.9	176.3	-56.7	-90.9	0	0	0	109.2	V195 F315 E321 L322 V323 L324 P367	V195-H197 WeakPolarHBondContact CG1-NE2 3.34Å; H197-F315 AromaticContact CE1-CD2 3.84Å; H197-F315 AromaticContact CE1-CG 3.91Å; H197-E321 IonicContact CD2-OE2 3.5Å; H197-E321 IonicContact CE1-OE2 2.67Å; H197-E321 IonicContact NE2-OE2 3.52Å; H197-E321 PolarHBondContact NE2-OE2 3.18Å; H197-L322 PolarHBondContact N-O 2.85Å; H197-V323 HydrophobicContact CB-CG1 4.48Å; H197-V323 HydrophobicContact CB-CG2 4.42Å; H197-L324 WeakPolarHBondContact O-CB 3.35Å; H197-L324 PolarHBondContact O-N 3.44Å; H197-P367 HydrophobicContact CB-CG 4.27Å
198	D	96.3	Very high	95.9	Very high	5 Å²	5	40 Å²	40	3%	0.027	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	109.6	172.3	-178.3	49.6	0	0	0	110.3	D200 S201 Q202 S203 L324 F490	D198-D200 VanDerWaalsContact C-N 3.3Å; D198-D200 PolarHBondContact O-N 2.86Å; D198-S201 WeakPolarHBondContact OD2-CB 3.48Å; D198-S201 PolarHBondContact OD2-N 2.83Å; D198-S201 VanDerWaalsContact OD2-N 3.12Å; D198-S201 PolarHBondContact OD2-OG 3.35Å; D198-Q202 WeakPolarHBondContact O-CA 3.46Å; D198-Q202 PolarHBondContact O-N 2.72Å; D198-S203 PolarHBondContact N-O 3.43Å; D198-S203 PolarHBondContact O-N 2.96Å; D198-L324 HydrophobicContact CB-CD1 4.43Å; D198-F490 HydrophobicContact CB-CD1 3.81Å; D198-F490 HydrophobicContact CB-CD2 3.83Å; D198-F490 HydrophobicContact CB-CE1 3.59Å; D198-F490 HydrophobicContact CB-CE2 3.62Å; D198-F490 HydrophobicContact CB-CG 3.92Å; D198-F490 HydrophobicContact CB-CZ 3.51Å
199	M	90.4	Very high	96	Very high	55 Å²	55	38.7 Å²	38.7	27%	0.271	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-23.5	-175.3	-59	-50.7	-62.3	0	0	112.7	V323 Q365	M199-V323 HydrophobicContact CG-CG1 3.82Å; M199-V323 HydrophobicContact SD-CG1 4.08Å; M199-Q365 WeakPolarHBondContact CE-O 3.18Å; M199-Q365 VanDerWaalsContact CG-O 3.31Å; M199-Q365 WeakPolarHBondContact CG-O 3.19Å; M199-Q365 VanDerWaalsContact SD-O 3.34Å
200	D	88.9	Confident	95.8	Very high	68 Å²	68	39.8 Å²	39.8	36%	0.364	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-41.6	178	-69.6	-8.1	0	0	0	111.7	D198 N326 H483	D198-D200 VanDerWaalsContact C-N 3.3Å; D198-D200 PolarHBondContact O-N 2.86Å; D200-N326 PolarHBondContact OD1-ND2 2.9Å; D200-H483 IonicContact OD2-CE1 2.67Å; D200-H483 PolarHBondContact OD2-CE1 2.86Å; D200-H483 IonicContact OD2-NE2 3.56Å
201	S	91.7	Very high	95.6	Very high	51 Å²	51	43.2 Å²	43.2	36%	0.357	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	0	177.8	66.6	0	0	0	0	114.3	D198 S203	D198-S201 WeakPolarHBondContact OD2-CB 3.48Å; D198-S201 PolarHBondContact OD2-N 2.83Å; D198-S201 VanDerWaalsContact OD2-N 3.12Å; D198-S201 PolarHBondContact OD2-OG 3.35Å; S201-S203 VanDerWaalsContact C-N 3.26Å; S201-S203 PolarHBondContact O-N 2.93Å; S201-S203 PolarHBondContact OG-OG 2.8Å
202	Q	91.5	Very high	95	Very high	174 Å²	174	47.1 Å²	47.1	81%	0.813	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.1	49.4	-174.4	-62	-170.3	-44.2	0	0	112.3	D198	D198-Q202 WeakPolarHBondContact O-CA 3.46Å; D198-Q202 PolarHBondContact O-N 2.72Å
203	S	96	Very high	94.2	Very high	23 Å²	23	55.3 Å²	55.3	16%	0.161	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	164.4	-177.3	71.4	0	0	0	0	112.5	D198 S201 F490 K494	D198-S203 PolarHBondContact N-O 3.43Å; D198-S203 PolarHBondContact O-N 2.96Å; S201-S203 VanDerWaalsContact C-N 3.26Å; S201-S203 PolarHBondContact O-N 2.93Å; S201-S203 PolarHBondContact OG-OG 2.8Å; S203-F490 VanDerWaalsContact O-CZ 3.29Å; S203-F490 WeakPolarHBondContact O-CZ 3.38Å; S203-F490 WeakPolarHBondContact OG-CE1 3.2Å; S203-K494 VanDerWaalsContact CB-NZ 3.28Å; S203-K494 PolarHBondContact OG-NZ 3.1Å
204	E	96.8	Very high	93.3	Very high	93 Å²	93	58.9 Å²	58.9	44%	0.435	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	161.3	-174	65.6	-79.6	-174.4	0	0	112.7	V195 I196 F315 K494	V195-E204 HydrophobicContact CG1-CB 4.09Å; I196-E204 CarbonylContact O-C 3.54Å; I196-E204 WeakPolarHBondContact O-CA 3.24Å; E204-F315 HydrophobicContact CG-CE1 4.13Å; E204-F315 HydrophobicContact CG-CZ 3.83Å; E204-K494 WeakPolarHBondContact O-CE 3.22Å
205	V	97.6	Very high	92.7	Very high	15 Å²	15	61.1 Å²	61.1	9%	0.091	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	132.7	169.2	64.9	0	0	0	0	110.2	I196 I207 F490 F493 K494	I196-V205 HydrophobicContact CB-CG1 3.87Å; I196-V205 HydrophobicContact CD1-CG1 4.4Å; I196-V205 HydrophobicContact CG1-CG1 4.41Å; I196-V205 PolarHBondContact N-O 2.87Å; I196-V205 PolarHBondContact O-N 2.83Å; V205-I207 HydrophobicContact CG1-CD1 4.13Å; V205-I207 HydrophobicContact CG2-CD1 4.09Å; V205-F490 HydrophobicContact CB-CE2 4.26Å; V205-F490 HydrophobicContact CG1-CD2 4Å; V205-F490 HydrophobicContact CG1-CE2 3.66Å; V205-F490 HydrophobicContact CG1-CZ 4.44Å; V205-F493 HydrophobicContact CG1-CB 4Å; V205-F493 HydrophobicContact CG1-CD2 4.49Å; V205-F493 HydrophobicContact CG2-CB 4Å; V205-K494 HydrophobicContact CB-CG 4.22Å; V205-K494 HydrophobicContact CG2-CG 4.21Å
206	E	97.2	Very high	92.3	Very high	76 Å²	76	63.1 Å²	63.1	36%	0.355	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	133.3	173.5	-174.7	-172.9	155.8	0	0	110.7	P208 K316 H319	E206-P208 WeakPolarHBondContact O-CD 3.3Å; E206-K316 HydrophobicContact CG-CD 4.27Å; E206-K316 IonicContact OE1-NZ 2.72Å; E206-K316 PolarHBondContact OE1-NZ 2.66Å; E206-K316 IonicContact OE2-NZ 3.96Å; E206-K316 PolarHBondContact OE2-NZ 3.31Å; E206-H319 IonicContact OE1-NE2 2.81Å
207	I	96.6	Very high	92.1	Very high	10 Å²	10	63.9 Å²	63.9	5%	0.051	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	84.9	178.9	-50.7	-62.9	0	0	0	108	G193 Y194 I196 V205 F493 I500 I504	G193-I207 CarbonylContact C-O 3.56Å; G193-I207 WeakPolarHBondContact CA-O 3.11Å; Y194-I207 PolarHBondContact N-O 3.45Å; Y194-I207 PolarHBondContact O-N 3Å; I196-I207 HydrophobicContact CD1-CD1 4.38Å; I196-I207 HydrophobicContact CD1-CG1 3.82Å; I196-I207 HydrophobicContact CG1-CG1 4.08Å; V205-I207 HydrophobicContact CG1-CD1 4.13Å; V205-I207 HydrophobicContact CG2-CD1 4.09Å; I207-F493 HydrophobicContact CD1-CB 3.83Å; I207-F493 HydrophobicContact CD1-CD1 4.19Å; I207-F493 HydrophobicContact CD1-CD2 4.35Å; I207-F493 HydrophobicContact CD1-CG 3.88Å; I207-I500 HydrophobicContact CD1-CD1 4.32Å; I207-I500 HydrophobicContact CD1-CG1 4.21Å; I207-I500 HydrophobicContact CD1-CG2 4.31Å; I207-I500 HydrophobicContact CG2-CG2 4.21Å; I207-I504 HydrophobicContact CG2-CB 3.97Å; I207-I504 HydrophobicContact CG2-CD1 3.62Å; I207-I504 HydrophobicContact CG2-CG1 3.86Å
208	P	96.8	Very high	91.9	Very high	57 Å²	57	64.1 Å²	64.1	37%	0.37	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	142.5	180	29.9	-34.7	0	0	0	110.9	E206	E206-P208 WeakPolarHBondContact O-CD 3.3Å
209	Y	97.1	Very high	91.9	Very high	6 Å²	6	63.9 Å²	63.9	2%	0.024	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-65.2	151.3	167.2	-74.9	-49.4	0	0	0	111	Q167 P168 V191 N192 Y194 Q217 I504	Q167-Y209 PolarHBondContact OE1-OH 2.74Å; P168-Y209 HydrophobicContact CG-CD1 3.76Å; P168-Y209 HydrophobicContact CG-CD2 3.88Å; P168-Y209 HydrophobicContact CG-CE1 3.66Å; P168-Y209 HydrophobicContact CG-CE2 3.8Å; P168-Y209 HydrophobicContact CG-CG 3.88Å; V191-Y209 HydrophobicContact CB-CE2 4.37Å; V191-Y209 HydrophobicContact CG1-CE2 3.99Å; V191-Y209 VanDerWaalsContact O-CD2 3.27Å; V191-Y209 WeakPolarHBondContact O-CD2 3.35Å; V191-Y209 VanDerWaalsContact O-CE2 3.32Å; V191-Y209 WeakPolarHBondContact O-CE2 3.33Å; N192-Y209 WeakPolarHBondContact O-CB 3.26Å; N192-Y209 WeakPolarHBondContact O-CD2 3.35Å; N192-Y209 PolarHBondContact O-N 2.97Å; Y194-Y209 AromaticContact CE2-CE1 3.97Å; Y194-Y209 HydrophobicContact CE2-CE1 3.97Å; Y194-Y209 AromaticContact CE2-CZ 3.64Å; Y194-Y209 WeakPolarHBondContact CE2-OH 3.5Å; Y194-Y209 PolarHBondContact OH-OH 3.09Å; Y209-Q217 WeakPolarHBondContact CB-O 3.36Å; Y209-I504 HydrophobicContact CD1-CD1 3.65Å; Y209-I504 HydrophobicContact CD1-CG1 3.79Å; Y209-I504 HydrophobicContact CE1-CD1 3.7Å; Y209-I504 HydrophobicContact CE1-CG1 4.35Å
210	P	93.3	Very high	92.2	Very high	47 Å²	47	63.6 Å²	63.6	31%	0.305	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-66.4	150.3	-177.1	28.9	-35.9	0	0	0	111.9	Q217 L510	P210-Q217 WeakPolarHBondContact O-CB 3.28Å; P210-Q217 PolarHBondContact O-N 3.21Å; P210-L510 HydrophobicContact CG-CD1 3.37Å
211	Q	91	Very high	92.6	Very high	148 Å²	148	60.3 Å²	60.3	69%	0.692	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	140.2	172.5	-64.9	-178	9.5	0	0	110.4	S215 V216	Q211-S215 CarbonylContact C-O 3.53Å; Q211-S215 WeakPolarHBondContact CA-O 3.47Å; Q211-V216 HydrophobicContact CG-CG2 3.96Å
212	E	84.8	Confident	92.9	Very high	85 Å²	85	57.9 Å²	57.9	40%	0.397	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	127.5	174	-170.4	174.7	174.4	0	0	108.8	R172 G214 S215 Q217	R172-E212 IonicContact NH2-OE2 3.76Å; R172-E212 PolarHBondContact NH2-OE2 3.34Å; E212-G214 PolarHBondContact O-N 3.01Å; E212-G214 VanDerWaalsContact O-N 3.16Å; E212-S215 PolarHBondContact N-O 3.12Å; E212-S215 PolarHBondContact O-N 2.84Å; E212-S215 VanDerWaalsContact O-O 3.14Å; E212-S215 PolarHBondContact O-OG 3.45Å; E212-Q217 HydrophobicContact CB-CG 3.84Å
213	K	81.3	Confident	93.3	Very high	203 Å²	203	51.1 Å²	51.1	88%	0.883	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	39.3	-178.8	-59.6	177.1	-177.8	178.8	0	113.9	S215	K213-S215 VanDerWaalsContact C-N 3.34Å; K213-S215 PolarHBondContact O-N 2.88Å
214	G	79.3	Confident	93.3	Very high	76 Å²	76	51 Å²	51	78%	0.784	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	6.6	178.9	0	0	0	0	0	115.3	E212	E212-G214 PolarHBondContact O-N 3.01Å; E212-G214 VanDerWaalsContact O-N 3.16Å
215	S	85.2	Confident	93.4	Very high	64 Å²	64	46.8 Å²	46.8	45%	0.448	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.6	176.8	64.1	0	0	0	0	111.8	Q211 E212 K213 Q217	Q211-S215 CarbonylContact C-O 3.53Å; Q211-S215 WeakPolarHBondContact CA-O 3.47Å; E212-S215 PolarHBondContact N-O 3.12Å; E212-S215 PolarHBondContact O-N 2.84Å; E212-S215 VanDerWaalsContact O-O 3.14Å; E212-S215 PolarHBondContact O-OG 3.45Å; K213-S215 VanDerWaalsContact C-N 3.34Å; K213-S215 PolarHBondContact O-N 2.88Å; S215-Q217 PolarHBondContact O-N 3.07Å
216	V	90.3	Very high	93.4	Very high	45 Å²	45	50.3 Å²	50.3	27%	0.273	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	127.6	175	-179.2	0	0	0	0	109.3	N192 Q211 C218	N192-V216 HydrophobicContact CB-CG1 4.23Å; Q211-V216 HydrophobicContact CG-CG2 3.96Å; V216-C218 VanDerWaalsContact C-N 3.29Å; V216-C218 HydrophobicContact CG1-CB 4.46Å; V216-C218 PolarHBondContact O-N 2.92Å
217	Q	93.8	Very high	93.5	Very high	29 Å²	29	46.7 Å²	46.7	14%	0.136	25%	0.251	C	S	.	.			trans	-75.4	84.9	170.9	-62.4	-66.9	-69.6	0	0	108.8	P168 R172 Y209 P210 E212 S215 L510	P168-Q217 HydrophobicContact CB-CB 4.45Å; P168-Q217 WeakPolarHBondContact CB-O 3.25Å; P168-Q217 WeakPolarHBondContact CG-O 3.42Å; R172-Q217 VanDerWaalsContact NH2-OE1 3.09Å; Y209-Q217 WeakPolarHBondContact CB-O 3.36Å; P210-Q217 WeakPolarHBondContact O-CB 3.28Å; P210-Q217 PolarHBondContact O-N 3.21Å; E212-Q217 HydrophobicContact CB-CG 3.84Å; S215-Q217 PolarHBondContact O-N 3.07Å; Q217-L510 HydrophobicContact CB-CD1 3.63Å; Q217-L510 HydrophobicContact CB-CD2 4.47Å; Q217-L510 HydrophobicContact CG-CD1 4.24Å
218	C	93.8	Very high	93.6	Very high	17 Å²	17	46.3 Å²	46.3	12%	0.115	25%	0.249	C	C	.	.			trans	-87.7	150.2	-171	46.4	0	0	0	0	113.5	Q190 V191 N192 V216 R220	Q190-C218 HydrophobicContact CG-CB 3.76Å; Q190-C218 PolarHBondContact NE2-SG 3.47Å; Q190-C218 VanDerWaalsContact NE2-SG 3.39Å; V191-C218 CarbonylContact O-C 3.41Å; V191-C218 VanDerWaalsContact O-CA 3.25Å; V191-C218 WeakPolarHBondContact O-CA 3.29Å; V191-C218 VanDerWaalsContact O-CB 3.23Å; V191-C218 WeakPolarHBondContact O-CB 3.32Å; N192-C218 WeakPolarHBondContact OD1-CB 3.02Å; V216-C218 VanDerWaalsContact C-N 3.29Å; V216-C218 HydrophobicContact CG1-CB 4.46Å; V216-C218 PolarHBondContact O-N 2.92Å; C218-R220 PolarHBondContact SG-NH1 3.34Å
219	G	96	Very high	93.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	176.9	168.1	0	0	0	0	0	111.8	L166 V191	L166-G219 VanDerWaalsContact O-CA 3.22Å; L166-G219 WeakPolarHBondContact O-CA 3.24Å; V191-G219 PolarHBondContact N-O 3.33Å; V191-G219 VanDerWaalsContact N-O 3.09Å; V191-G219 PolarHBondContact O-N 3.08Å
220	R	97.6	Very high	93.7	Very high	48 Å²	48	46.1 Å²	46.1	18%	0.181	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.6	174.5	-68.4	-67.4	179.2	-79.8	2.1	109.8	L166 F171 H189 C218 F222	L166-R220 PolarHBondContact N-O 3.49Å; L166-R220 PolarHBondContact O-N 3.47Å; F171-R220 HydrophobicContact CD2-CG 4.21Å; F171-R220 HydrophobicContact CE2-CG 4.31Å; F171-R220 HydrophobicContact CG-CG 4.44Å; H189-R220 WeakPolarHBondContact O-CA 3.38Å; C218-R220 PolarHBondContact SG-NH1 3.34Å; R220-F222 HydrophobicContact CB-CD1 4.01Å; R220-F222 HydrophobicContact CB-CE1 3.92Å
221	A	98.1	Very high	93.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	141.5	170.4	0	0	0	0	0	110	E164 L165 A188 H189 V191 Y333 Q334 I335	E164-A221 CarbonylContact O-C 3.5Å; E164-A221 WeakPolarHBondContact O-CA 3.45Å; L165-A221 HydrophobicContact CD1-CB 3.86Å; A188-A221 CarbonylContact C-O 3.51Å; A188-A221 VanDerWaalsContact CA-O 3.27Å; A188-A221 WeakPolarHBondContact CA-O 3.45Å; H189-A221 HydrophobicContact CB-CB 4.39Å; H189-A221 PolarHBondContact N-O 2.94Å; H189-A221 PolarHBondContact O-N 2.88Å; V191-A221 HydrophobicContact CG2-CB 3.98Å; A221-Y333 HydrophobicContact CB-CD2 4.32Å; A221-Q334 WeakPolarHBondContact CB-O 3.41Å; A221-I335 HydrophobicContact CB-CG2 4.46Å
222	F	98	Very high	94.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.			trans	-162.2	161	-173.2	40.8	-107.3	0	0	0	111.2	E164 L166 V183 L186 A188 R220 H224 F227 I335 M419	E164-F222 VanDerWaalsContact CA-O 3.3Å; E164-F222 WeakPolarHBondContact CA-O 3.24Å; E164-F222 WeakPolarHBondContact CB-O 3.19Å; E164-F222 WeakPolarHBondContact CG-O 3.33Å; E164-F222 PolarHBondContact O-N 3.06Å; L166-F222 HydrophobicContact CB-CE1 3.95Å; L166-F222 HydrophobicContact CB-CZ 3.96Å; V183-F222 HydrophobicContact CG1-CD1 4.34Å; V183-F222 HydrophobicContact CG1-CE1 3.91Å; L186-F222 HydrophobicContact CD1-CB 4.45Å; A188-F222 HydrophobicContact CB-CB 4Å; A188-F222 HydrophobicContact CB-CD1 4.29Å; R220-F222 HydrophobicContact CB-CD1 4.01Å; R220-F222 HydrophobicContact CB-CE1 3.92Å; F222-H224 PolarHBondContact O-N 3.39Å; F222-F227 HydrophobicContact CD2-CB 3.49Å; F222-F227 VanDerWaalsContact CD2-CB 3.49Å; F222-F227 HydrophobicContact CD2-CD1 4.42Å; F222-F227 HydrophobicContact CD2-CG 4.08Å; F222-F227 HydrophobicContact CE1-CD2 4.49Å; F222-F227 HydrophobicContact CE1-CG 4.36Å; F222-F227 HydrophobicContact CE2-CB 3.34Å; F222-F227 AromaticContact CE2-CD1 3.41Å; F222-F227 HydrophobicContact CE2-CD1 3.41Å; F222-F227 VanDerWaalsContact CE2-CD1 3.41Å; F222-F227 HydrophobicContact CE2-CD2 4.31Å; F222-F227 HydrophobicContact CE2-CE1 4.25Å; F222-F227 AromaticContact CE2-CG 3.43Å; F222-F227 HydrophobicContact CE2-CG 3.43Å; F222-F227 VanDerWaalsContact CE2-CG 3.43Å; F222-F227 HydrophobicContact CG-CB 4.24Å; F222-F227 HydrophobicContact CZ-CB 3.97Å; F222-F227 AromaticContact CZ-CD1 3.55Å; F222-F227 HydrophobicContact CZ-CD1 3.55Å; F222-F227 HydrophobicContact CZ-CD2 4.06Å; F222-F227 AromaticContact CZ-CE1 3.97Å; F222-F227 HydrophobicContact CZ-CE1 3.97Å; F222-F227 HydrophobicContact CZ-CE2 4.45Å; F222-F227 AromaticContact CZ-CG 3.58Å; F222-F227 HydrophobicContact CZ-CG 3.58Å; F222-F227 HydrophobicContact CZ-CZ 4.4Å; F222-I335 VanDerWaalsContact CA-O 3.29Å; F222-I335 WeakPolarHBondContact CA-O 3.27Å; F222-M419 HydrophobicContact CE2-CE 4.2Å; F222-M419 HydrophobicContact CZ-CE 4Å
223	H	98.1	Very high	95	Very high	32 Å²	32	41 Å²	41	15%	0.148	21%	0.21	C	C	.	.			trans	-59.3	122.9	162.5	-69.3	-85.7	0	0	0	110	G225 R226 F227 S336	H223-G225 VanDerWaalsContact C-N 3.27Å; H223-G225 PolarHBondContact O-N 3.14Å; H223-R226 HydrophobicContact CB-CB 4.41Å; H223-R226 HydrophobicContact CB-CG 3.94Å; H223-R226 PolarHBondContact O-N 2.99Å; H223-F227 PolarHBondContact O-N 2.95Å; H223-S336 PolarHBondContact NE2-OG 3.17Å
224	H	97.7	Very high	95.8	Very high	21 Å²	21	32.3 Å²	32.3	10%	0.097	18%	0.176	C	C	.	.	H	α-helix	trans	-56.5	-41.8	-175.3	179.1	69.2	0	0	0	112.5	V162 G163 E164 F222 R226 F227 I228	V162-H224 VanDerWaalsContact O-CG 3.31Å; V162-H224 PolarHBondContact O-ND1 3.26Å; G163-H224 PolarHBondContact O-ND1 3.08Å; E164-H224 HydrophobicContact CG-CB 3.89Å; F222-H224 PolarHBondContact O-N 3.39Å; H224-R226 PolarHBondContact O-N 3.16Å; H224-F227 PolarHBondContact O-N 2.94Å; H224-I228 WeakPolarHBondContact NE2-CG1 3.39Å; H224-I228 WeakPolarHBondContact O-CG1 3.36Å; H224-I228 PolarHBondContact O-N 3.34Å
225	G	97.8	Very high	96.7	Very high	4 Å²	4	28.7 Å²	28.7	4%	0.041	14%	0.139	C	C	.	.	H	α-helix	trans	-54.9	-51.5	179.2	0	0	0	0	0	112.9	E157 P158 H223 F227 I228 M229	E157-G225 VanDerWaalsContact CG-C 3.49Å; E157-G225 VanDerWaalsContact CG-CA 3.49Å; P158-G225 WeakPolarHBondContact O-CA 3.44Å; P158-G225 PolarHBondContact O-N 2.97Å; H223-G225 VanDerWaalsContact C-N 3.27Å; H223-G225 PolarHBondContact O-N 3.14Å; G225-F227 VanDerWaalsContact C-N 3.3Å; G225-F227 PolarHBondContact O-N 2.72Å; G225-I228 PolarHBondContact O-N 3.49Å; G225-I228 VanDerWaalsContact O-N 3.16Å; G225-M229 WeakPolarHBondContact O-CG 3.41Å; G225-M229 PolarHBondContact O-N 2.96Å
226	R	98.1	Very high	97.3	Very high	89 Å²	89	29.9 Å²	29.9	34%	0.336	14%	0.138	S	C	.	.	H	α-helix	trans	-56.6	-41.9	178.2	-59	-173.8	-175.1	171.5	-0	112.3	E157 L186 H223 H224 M229 G230	E157-R226 VanDerWaalsContact OE1-CG 3.32Å; E157-R226 WeakPolarHBondContact OE1-CG 3.49Å; E157-R226 PolarHBondContact OE1-N 2.81Å; L186-R226 HydrophobicContact CB-CB 4.18Å; L186-R226 HydrophobicContact CD1-CB 4.24Å; L186-R226 HydrophobicContact CD2-CB 4.01Å; L186-R226 HydrophobicContact CG-CB 4.36Å; L186-R226 WeakPolarHBondContact O-CD 3.4Å; L186-R226 PolarHBondContact O-NH1 3.17Å; H223-R226 HydrophobicContact CB-CB 4.41Å; H223-R226 HydrophobicContact CB-CG 3.94Å; H223-R226 PolarHBondContact O-N 2.99Å; H224-R226 PolarHBondContact O-N 3.16Å; R226-M229 PolarHBondContact O-N 3.44Å; R226-G230 PolarHBondContact O-N 2.94Å
227	F	98.4	Very high	97.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66.8	-42.5	177.1	176.3	-126.4	0	0	0	112.9	V132 L174 V183 L186 F222 H223 H224 G225 M229 G230 L231 M419	V132-F227 HydrophobicContact CG1-CE1 4.22Å; V132-F227 HydrophobicContact CG2-CD1 4.48Å; V132-F227 HydrophobicContact CG2-CE1 4.11Å; L174-F227 HydrophobicContact CD1-CE2 4.45Å; L174-F227 HydrophobicContact CD1-CZ 4.34Å; L174-F227 HydrophobicContact CD2-CE2 4.02Å; L174-F227 HydrophobicContact CD2-CZ 4.39Å; V183-F227 HydrophobicContact CG1-CD2 3.61Å; V183-F227 HydrophobicContact CG1-CE2 3.58Å; L186-F227 HydrophobicContact CD1-CB 3.99Å; F222-F227 HydrophobicContact CD2-CB 3.49Å; F222-F227 VanDerWaalsContact CD2-CB 3.49Å; F222-F227 HydrophobicContact CD2-CD1 4.42Å; F222-F227 HydrophobicContact CD2-CG 4.08Å; F222-F227 HydrophobicContact CE1-CD2 4.49Å; F222-F227 HydrophobicContact CE1-CG 4.36Å; F222-F227 HydrophobicContact CE2-CB 3.34Å; F222-F227 AromaticContact CE2-CD1 3.41Å; F222-F227 HydrophobicContact CE2-CD1 3.41Å; F222-F227 VanDerWaalsContact CE2-CD1 3.41Å; F222-F227 HydrophobicContact CE2-CD2 4.31Å; F222-F227 HydrophobicContact CE2-CE1 4.25Å; F222-F227 AromaticContact CE2-CG 3.43Å; F222-F227 HydrophobicContact CE2-CG 3.43Å; F222-F227 VanDerWaalsContact CE2-CG 3.43Å; F222-F227 HydrophobicContact CG-CB 4.24Å; F222-F227 HydrophobicContact CZ-CB 3.97Å; F222-F227 AromaticContact CZ-CD1 3.55Å; F222-F227 HydrophobicContact CZ-CD1 3.55Å; F222-F227 HydrophobicContact CZ-CD2 4.06Å; F222-F227 AromaticContact CZ-CE1 3.97Å; F222-F227 HydrophobicContact CZ-CE1 3.97Å; F222-F227 HydrophobicContact CZ-CE2 4.45Å; F222-F227 AromaticContact CZ-CG 3.58Å; F222-F227 HydrophobicContact CZ-CG 3.58Å; F222-F227 HydrophobicContact CZ-CZ 4.4Å; H223-F227 PolarHBondContact O-N 2.95Å; H224-F227 PolarHBondContact O-N 2.94Å; G225-F227 VanDerWaalsContact C-N 3.3Å; G225-F227 PolarHBondContact O-N 2.72Å; F227-M229 VanDerWaalsContact C-N 3.3Å; F227-M229 PolarHBondContact O-N 2.82Å; F227-G230 PolarHBondContact O-N 3.25Å; F227-L231 HydrophobicContact CD1-CD1 4.27Å; F227-L231 HydrophobicContact CD2-CD1 4.47Å; F227-L231 HydrophobicContact CD2-CG 4.34Å; F227-L231 HydrophobicContact CE1-CD1 3.76Å; F227-L231 HydrophobicContact CE2-CD1 3.98Å; F227-L231 HydrophobicContact CE2-CD2 4.23Å; F227-L231 HydrophobicContact CE2-CG 3.9Å; F227-L231 HydrophobicContact CZ-CD1 3.6Å; F227-L231 HydrophobicContact CZ-CD2 4.33Å; F227-L231 HydrophobicContact CZ-CG 4.03Å; F227-L231 PolarHBondContact O-N 3.29Å; F227-M419 HydrophobicContact CD1-SD 4.12Å; F227-M419 HydrophobicContact CE1-SD 3.85Å
228	I	98.4	Very high	97.9	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-59.9	-43.2	173.8	-66.3	-59	0	0	0	110.9	V132 P158 H224 G225 G230 L231 R232	V132-I228 HydrophobicContact CB-CD1 4.44Å; V132-I228 HydrophobicContact CG2-CD1 3.58Å; P158-I228 HydrophobicContact CG-CB 3.83Å; P158-I228 HydrophobicContact CG-CG1 3.9Å; P158-I228 HydrophobicContact CG-CG2 3.88Å; H224-I228 WeakPolarHBondContact NE2-CG1 3.39Å; H224-I228 WeakPolarHBondContact O-CG1 3.36Å; H224-I228 PolarHBondContact O-N 3.34Å; G225-I228 PolarHBondContact O-N 3.49Å; G225-I228 VanDerWaalsContact O-N 3.16Å; I228-G230 VanDerWaalsContact C-N 3.34Å; I228-G230 PolarHBondContact O-N 3.45Å; I228-L231 PolarHBondContact O-N 3.36Å; I228-R232 HydrophobicContact CG2-CG 4.29Å; I228-R232 VanDerWaalsContact CG2-NE 3.33Å; I228-R232 WeakPolarHBondContact O-CB 3.23Å; I228-R232 VanDerWaalsContact O-CG 3.29Å; I228-R232 WeakPolarHBondContact O-CG 3.25Å; I228-R232 PolarHBondContact O-N 3.23Å
229	M	98.4	Very high	98	Very high	54 Å²	54	36.9 Å²	36.9	27%	0.266	19%	0.193	S	C	.	.	H	α-helix	trans	-65.5	-37	176.9	-65.4	-50.4	-64.3	0	0	112.3	E157 G225 R226 F227 R232 R233	E157-M229 HydrophobicContact CB-CG 3.85Å; E157-M229 HydrophobicContact CB-SD 4.37Å; E157-M229 HydrophobicContact CG-CG 4.02Å; G225-M229 WeakPolarHBondContact O-CG 3.41Å; G225-M229 PolarHBondContact O-N 2.96Å; R226-M229 PolarHBondContact O-N 3.44Å; F227-M229 VanDerWaalsContact C-N 3.3Å; F227-M229 PolarHBondContact O-N 2.82Å; M229-R232 PolarHBondContact O-N 2.78Å; M229-R233 VanDerWaalsContact O-CB 3.31Å; M229-R233 WeakPolarHBondContact O-CB 3.33Å; M229-R233 PolarHBondContact O-N 3.17Å
230	G	98.1	Very high	98	Very high	4 Å²	4	40.1 Å²	40.1	4%	0.041	21%	0.211	C	C	.	.	H	α-helix	trans	-58.4	-49.2	171.2	0	0	0	0	0	112.4	R226 F227 I228 R233 A234	R226-G230 PolarHBondContact O-N 2.94Å; F227-G230 PolarHBondContact O-N 3.25Å; I228-G230 VanDerWaalsContact C-N 3.34Å; I228-G230 PolarHBondContact O-N 3.45Å; G230-R233 PolarHBondContact O-N 2.84Å; G230-A234 PolarHBondContact O-N 3.14Å
231	L	98.7	Very high	98.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-42.3	177.2	-73	172.7	0	0	0	112.8	V132 A136 L174 L179 F227 I228 A234 A235	V132-L231 HydrophobicContact CB-CD1 4.42Å; V132-L231 HydrophobicContact CG1-CD1 4.26Å; A136-L231 HydrophobicContact CB-CD2 4.5Å; L174-L231 HydrophobicContact CD1-CD2 3.99Å; L179-L231 HydrophobicContact CD1-CD2 4.26Å; F227-L231 HydrophobicContact CD1-CD1 4.27Å; F227-L231 HydrophobicContact CD2-CD1 4.47Å; F227-L231 HydrophobicContact CD2-CG 4.34Å; F227-L231 HydrophobicContact CE1-CD1 3.76Å; F227-L231 HydrophobicContact CE2-CD1 3.98Å; F227-L231 HydrophobicContact CE2-CD2 4.23Å; F227-L231 HydrophobicContact CE2-CG 3.9Å; F227-L231 HydrophobicContact CZ-CD1 3.6Å; F227-L231 HydrophobicContact CZ-CD2 4.33Å; F227-L231 HydrophobicContact CZ-CG 4.03Å; F227-L231 PolarHBondContact O-N 3.29Å; I228-L231 PolarHBondContact O-N 3.36Å; L231-A234 PolarHBondContact O-N 3.06Å; L231-A235 PolarHBondContact O-N 2.93Å
232	R	98.6	Very high	98.1	Very high	7 Å²	7	46.6 Å²	46.6	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-61.9	-44.4	176.2	-74	171.3	178.6	179.1	-5.7	110.8	A130 S135 E152 D154 L155 K156 I228 M229 A234 A235 M236 F243	A130-R232 HydrophobicContact CB-CG 4.34Å; A130-R232 PolarHBondContact O-NE 2.97Å; A130-R232 PolarHBondContact O-NH2 3.49Å; S135-R232 WeakPolarHBondContact OG-CG 3.16Å; E152-R232 IonicContact OE1-NH2 3.56Å; D154-R232 PolarHBondContact O-NH1 3.25Å; D154-R232 PolarHBondContact O-NH2 3.42Å; L155-R232 PolarHBondContact O-NH1 3.13Å; K156-R232 PolarHBondContact O-NH1 3.48Å; I228-R232 HydrophobicContact CG2-CG 4.29Å; I228-R232 VanDerWaalsContact CG2-NE 3.33Å; I228-R232 WeakPolarHBondContact O-CB 3.23Å; I228-R232 VanDerWaalsContact O-CG 3.29Å; I228-R232 WeakPolarHBondContact O-CG 3.25Å; I228-R232 PolarHBondContact O-N 3.23Å; M229-R232 PolarHBondContact O-N 2.78Å; R232-A234 PolarHBondContact O-N 3.37Å; R232-A235 PolarHBondContact O-N 2.97Å; R232-M236 WeakPolarHBondContact O-CB 3.47Å; R232-M236 VanDerWaalsContact O-CG 3.23Å; R232-M236 WeakPolarHBondContact O-CG 3.36Å; R232-M236 PolarHBondContact O-N 2.87Å; R232-F243 HydrophobicContact CG-CE1 4.42Å
233	R	98.3	Very high	98.1	Very high	166 Å²	166	48.3 Å²	48.3	63%	0.626	24%	0.244	S	C	*	.	H	α-helix	trans	-60.2	-45.2	176.1	-170.3	-173.7	-58	127.9	1.7	111.6	M229 G230 A235 M236 A237	M229-R233 VanDerWaalsContact O-CB 3.31Å; M229-R233 WeakPolarHBondContact O-CB 3.33Å; M229-R233 PolarHBondContact O-N 3.17Å; G230-R233 PolarHBondContact O-N 2.84Å; R233-A235 VanDerWaalsContact C-N 3.32Å; R233-A235 PolarHBondContact O-N 3.37Å; R233-M236 PolarHBondContact O-N 3.26Å; R233-A237 WeakPolarHBondContact O-CB 3.43Å; R233-A237 PolarHBondContact O-N 2.8Å
234	A	98.2	Very high	98.1	Very high	20 Å²	20	47.5 Å²	47.5	17%	0.165	24%	0.241	C	C	.	.	H	α-helix	trans	-60.8	-40.6	176.8	0	0	0	0	0	112.1	L179 G230 L231 R232	L179-A234 HydrophobicContact CD2-CB 3.93Å; G230-A234 PolarHBondContact O-N 3.14Å; L231-A234 PolarHBondContact O-N 3.06Å; R232-A234 PolarHBondContact O-N 3.37Å
235	A	98.5	Very high	98.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-71.4	-40.7	176.5	0	0	0	0	0	113.1	A138 A139 L231 R232 R233 A237 E238 V241 F243	A138-A235 HydrophobicContact CB-CB 4.34Å; A139-A235 HydrophobicContact CB-CB 3.95Å; L231-A235 PolarHBondContact O-N 2.93Å; R232-A235 PolarHBondContact O-N 2.97Å; R233-A235 VanDerWaalsContact C-N 3.32Å; R233-A235 PolarHBondContact O-N 3.37Å; A235-A237 PolarHBondContact O-N 2.99Å; A235-E238 WeakPolarHBondContact O-CB 3.35Å; A235-E238 PolarHBondContact O-N 3.41Å; A235-V241 WeakPolarHBondContact O-CB 3.27Å; A235-V241 WeakPolarHBondContact O-CG2 3.32Å; A235-F243 HydrophobicContact CB-CE2 3.76Å; A235-F243 HydrophobicContact CB-CZ 3.76Å
236	M	98.3	Very high	98.2	Very high	89 Å²	89	48.5 Å²	48.5	44%	0.438	25%	0.245	S	C	.	.	H	α-helix	trans	-67.9	-22.5	178.5	-73.3	171.1	173.9	0	0	113.1	L155 R232 R233 E238 F243	L155-M236 HydrophobicContact CD1-CE 4.18Å; L155-M236 HydrophobicContact CD2-CE 4.05Å; R232-M236 WeakPolarHBondContact O-CB 3.47Å; R232-M236 VanDerWaalsContact O-CG 3.23Å; R232-M236 WeakPolarHBondContact O-CG 3.36Å; R232-M236 PolarHBondContact O-N 2.87Å; R233-M236 PolarHBondContact O-N 3.26Å; M236-E238 PolarHBondContact O-N 2.97Å; M236-F243 HydrophobicContact CB-CD2 4.4Å; M236-F243 HydrophobicContact CB-CE2 4.38Å; M236-F243 HydrophobicContact CE-CB 3.8Å; M236-F243 HydrophobicContact CE-CD1 3.54Å; M236-F243 HydrophobicContact CE-CD2 3.94Å; M236-F243 HydrophobicContact CE-CE1 4.03Å; M236-F243 HydrophobicContact CE-CE2 4.4Å; M236-F243 HydrophobicContact CE-CG 3.48Å; M236-F243 VanDerWaalsContact CE-CG 3.48Å; M236-F243 HydrophobicContact CE-CZ 4.44Å; M236-F243 HydrophobicContact CG-CD2 3.33Å; M236-F243 HydrophobicContact CG-CE2 3.46Å; M236-F243 VanDerWaalsContact CG-CE2 3.46Å; M236-F243 HydrophobicContact CG-CG 3.91Å; M236-F243 HydrophobicContact CG-CZ 4.14Å
237	A	98	Very high	98.2	Very high	82 Å²	82	47.4 Å²	47.4	68%	0.678	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-16.1	174.9	0	0	0	0	0	113.1	R233 A235	R233-A237 WeakPolarHBondContact O-CB 3.43Å; R233-A237 PolarHBondContact O-N 2.8Å; A235-A237 PolarHBondContact O-N 2.99Å
238	E	98.3	Very high	98.2	Very high	41 Å²	41	47.9 Å²	47.9	19%	0.192	25%	0.251	C	S	.	.	S	Bend	trans	-81.8	126.1	178.5	-56.3	-62.5	155.4	0	0	110.6	A142 R143 A235 M236 N240 V241	A142-E238 HydrophobicContact CB-CB 3.84Å; A142-E238 HydrophobicContact CB-CG 4.23Å; R143-E238 HydrophobicContact CG-CG 4.45Å; R143-E238 WeakPolarHBondContact CG-OE1 3.29Å; R143-E238 WeakPolarHBondContact CG-OE2 3.37Å; R143-E238 IonicContact CZ-OE1 2.84Å; R143-E238 IonicContact NE-OE1 3.07Å; R143-E238 PolarHBondContact NE-OE1 3.45Å; R143-E238 IonicContact NH2-OE1 3.34Å; R143-E238 PolarHBondContact NH2-OE1 3.25Å; A235-E238 WeakPolarHBondContact O-CB 3.35Å; A235-E238 PolarHBondContact O-N 3.41Å; M236-E238 PolarHBondContact O-N 2.97Å; E238-N240 PolarHBondContact O-N 3.18Å; E238-N240 VanDerWaalsContact O-N 3.08Å; E238-V241 HydrophobicContact CB-CB 4.44Å; E238-V241 HydrophobicContact CB-CG2 3.75Å; E238-V241 HydrophobicContact CG-CG2 4.48Å; E238-V241 PolarHBondContact O-N 3.49Å; E238-V241 VanDerWaalsContact O-N 3.1Å
239	S	96.6	Very high	98.1	Very high	116 Å²	116	50.9 Å²	50.9	81%	0.811	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.7	-175.8	63.1	0	0	0	0	114.6
240	N	96.1	Very high	98.1	Very high	68 Å²	68	50.3 Å²	50.3	36%	0.364	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	7.6	-177.6	-62.9	-28.9	0	0	0	113.2	A142 R146 V148 E238	A142-N240 HydrophobicContact CB-CB 4.18Å; R146-N240 WeakPolarHBondContact O-CB 3.44Å; V148-N240 PolarHBondContact N-O 3.4Å; E238-N240 PolarHBondContact O-N 3.18Å; E238-N240 VanDerWaalsContact O-N 3.08Å
241	V	98.4	Very high	98.1	Very high	19 Å²	19	51 Å²	51	12%	0.115	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.9	178	-174.1	0	0	0	0	110.6	A138 A142 V148 V150 A235 E238 F243	A138-V241 HydrophobicContact CB-CG1 4.33Å; A142-V241 HydrophobicContact CB-CG2 3.27Å; V148-V241 HydrophobicContact CB-CG2 4.42Å; V148-V241 CarbonylContact O-C 3.51Å; V148-V241 WeakPolarHBondContact O-CA 3.5Å; V150-V241 HydrophobicContact CG2-CG1 4.2Å; A235-V241 WeakPolarHBondContact O-CB 3.27Å; A235-V241 WeakPolarHBondContact O-CG2 3.32Å; E238-V241 HydrophobicContact CB-CB 4.44Å; E238-V241 HydrophobicContact CB-CG2 3.75Å; E238-V241 HydrophobicContact CG-CG2 4.48Å; E238-V241 PolarHBondContact O-N 3.49Å; E238-V241 VanDerWaalsContact O-N 3.1Å; V241-F243 HydrophobicContact CG1-CD2 3.65Å; V241-F243 HydrophobicContact CG1-CE2 3.42Å; V241-F243 VanDerWaalsContact CG1-CE2 3.42Å; V241-F243 HydrophobicContact CG1-CZ 4.46Å
242	R	98.3	Very high	98.1	Very high	164 Å²	164	52.1 Å²	52.1	62%	0.619	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.8	169.4	-178	177.2	175.7	172.7	-1.2	109.9	V148 T149 V150 I244	V148-R242 PolarHBondContact O-N 3.4Å; T149-R242 CarbonylContact C-O 3.57Å; T149-R242 VanDerWaalsContact CA-O 3.31Å; T149-R242 WeakPolarHBondContact CA-O 3.46Å; V150-R242 PolarHBondContact N-O 3.14Å; R242-I244 HydrophobicContact CG-CG1 4.29Å
243	F	98.5	Very high	98	Very high	36 Å²	36	55.9 Å²	55.9	16%	0.158	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	139	169.5	-83.8	-101.9	0	0	0	110.6	A130 V150 L155 R232 A235 M236 V241	A130-F243 HydrophobicContact CB-CD1 4.48Å; A130-F243 HydrophobicContact CB-CE1 3.76Å; V150-F243 HydrophobicContact CB-CD1 3.96Å; V150-F243 HydrophobicContact CB-CE1 3.92Å; V150-F243 HydrophobicContact CB-CG 4.32Å; V150-F243 HydrophobicContact CB-CZ 4.21Å; V150-F243 HydrophobicContact CG1-CD1 4.02Å; V150-F243 HydrophobicContact CG1-CE1 3.72Å; V150-F243 HydrophobicContact CG1-CZ 4.3Å; V150-F243 HydrophobicContact CG2-CE1 4.32Å; V150-F243 HydrophobicContact CG2-CE2 4.34Å; V150-F243 HydrophobicContact CG2-CZ 4.12Å; L155-F243 HydrophobicContact CD1-CB 4.48Å; L155-F243 HydrophobicContact CD2-CD1 3.78Å; L155-F243 HydrophobicContact CD2-CE1 4.36Å; R232-F243 HydrophobicContact CG-CE1 4.42Å; A235-F243 HydrophobicContact CB-CE2 3.76Å; A235-F243 HydrophobicContact CB-CZ 3.76Å; M236-F243 HydrophobicContact CB-CD2 4.4Å; M236-F243 HydrophobicContact CB-CE2 4.38Å; M236-F243 HydrophobicContact CE-CB 3.8Å; M236-F243 HydrophobicContact CE-CD1 3.54Å; M236-F243 HydrophobicContact CE-CD2 3.94Å; M236-F243 HydrophobicContact CE-CE1 4.03Å; M236-F243 HydrophobicContact CE-CE2 4.4Å; M236-F243 HydrophobicContact CE-CG 3.48Å; M236-F243 VanDerWaalsContact CE-CG 3.48Å; M236-F243 HydrophobicContact CE-CZ 4.44Å; M236-F243 HydrophobicContact CG-CD2 3.33Å; M236-F243 HydrophobicContact CG-CE2 3.46Å; M236-F243 VanDerWaalsContact CG-CE2 3.46Å; M236-F243 HydrophobicContact CG-CG 3.91Å; M236-F243 HydrophobicContact CG-CZ 4.14Å; V241-F243 HydrophobicContact CG1-CD2 3.65Å; V241-F243 HydrophobicContact CG1-CE2 3.42Å; V241-F243 VanDerWaalsContact CG1-CE2 3.42Å; V241-F243 HydrophobicContact CG1-CZ 4.46Å
244	I	98.5	Very high	97.8	Very high	15 Å²	15	53 Å²	53	8%	0.077	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.9	175	-60.9	177.5	0	0	0	107.4	T149 V150 V151 E152 R242 G246 Y263 I274	T149-I244 HydrophobicContact CG2-CD1 3.56Å; T149-I244 HydrophobicContact CG2-CG1 4.1Å; V150-I244 PolarHBondContact O-N 3.29Å; V151-I244 WeakPolarHBondContact CA-O 3.37Å; V151-I244 HydrophobicContact CG2-CB 4.44Å; E152-I244 PolarHBondContact N-O 3.26Å; R242-I244 HydrophobicContact CG-CG1 4.29Å; I244-G246 PolarHBondContact O-N 3.31Å; I244-Y263 HydrophobicContact CG2-CD2 4.17Å; I244-Y263 HydrophobicContact CG2-CE2 3.45Å; I244-Y263 VanDerWaalsContact CG2-CE2 3.45Å; I244-I274 HydrophobicContact CD1-CD1 3.89Å
245	E	98.6	Very high	97.5	Very high	44 Å²	44	60.3 Å²	60.3	21%	0.206	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	111.2	170.8	-154.5	172.9	-171.6	0	0	109.4	E152 D154 L155 K266	E152-E245 CarbonylContact O-C 3.52Å; E152-E245 VanDerWaalsContact O-CA 3.27Å; E152-E245 WeakPolarHBondContact O-CA 3.22Å; D154-E245 WeakPolarHBondContact CA-OE1 3.38Å; L155-E245 HydrophobicContact CB-CG 4.37Å; L155-E245 HydrophobicContact CD1-CB 3.88Å; L155-E245 HydrophobicContact CD1-CG 4.19Å; L155-E245 HydrophobicContact CG-CB 4.18Å; L155-E245 HydrophobicContact CG-CG 3.96Å; L155-E245 PolarHBondContact N-OE1 2.89Å; E245-K266 HydrophobicContact CB-CB 4.32Å; E245-K266 HydrophobicContact CB-CD 4.37Å; E245-K266 HydrophobicContact CG-CB 4.27Å; E245-K266 HydrophobicContact CG-CD 3.53Å; E245-K266 VanDerWaalsContact O-CB 3.26Å; E245-K266 WeakPolarHBondContact O-CB 3.07Å; E245-K266 PolarHBondContact O-N 3.33Å; E245-K266 IonicContact OE1-NZ 2.66Å; E245-K266 PolarHBondContact OE1-NZ 3.41Å
246	G	98.3	Very high	97.1	Very high	2 Å²	2	62.4 Å²	62.4	2%	0.021	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	161.6	-172.2	0	0	0	0	0	112.7	V151 E152 R153 I244 K264	V151-G246 WeakPolarHBondContact CG1-O 3.34Å; E152-G246 CarbonylContact C-O 3.15Å; E152-G246 PolarHBondContact O-N 2.88Å; E152-G246 VanDerWaalsContact O-O 3.13Å; R153-G246 VanDerWaalsContact CA-O 3.29Å; R153-G246 WeakPolarHBondContact CA-O 3.39Å; R153-G246 PolarHBondContact N-O 3.48Å; I244-G246 PolarHBondContact O-N 3.31Å; G246-K264 CarbonylContact C-O 3.52Å; G246-K264 WeakPolarHBondContact CA-O 3.43Å
247	T	98.4	Very high	96.9	Very high	66 Å²	66	59 Å²	59	41%	0.405	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	113.9	179.2	-60.4	0	0	0	0	110.1	S249 Y263 K264	T247-S249 PolarHBondContact O-N 3.43Å; T247-Y263 WeakPolarHBondContact O-CA 3.31Å; T247-K264 PolarHBondContact N-O 3.04Å; T247-K264 PolarHBondContact O-N 2.99Å
248	V	98.5	Very high	96.9	Very high	10 Å²	10	55.1 Å²	55.1	6%	0.061	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	124.8	172.1	-177	0	0	0	0	109.6	V128 V151 V261 Q262 F289	V128-V248 HydrophobicContact CB-CG2 4.38Å; V128-V248 HydrophobicContact CG1-CB 3.85Å; V128-V248 HydrophobicContact CG1-CG1 4.25Å; V128-V248 HydrophobicContact CG1-CG2 3.68Å; V128-V248 HydrophobicContact CG2-CG1 4.35Å; V128-V248 HydrophobicContact CG2-CG2 4.1Å; V151-V248 HydrophobicContact CB-CG2 3.82Å; V151-V248 HydrophobicContact CG1-CG2 3.64Å; V151-V248 HydrophobicContact CG2-CG2 4.47Å; V248-V261 HydrophobicContact CG1-CB 3.91Å; V248-V261 HydrophobicContact CG1-CG1 4.22Å; V248-Q262 WeakPolarHBondContact CA-O 3.27Å; V248-Q262 WeakPolarHBondContact CG1-O 3.5Å; 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 4.1Å; V248-F289 HydrophobicContact CG1-CZ 3.56Å
249	S	97.1	Very high	96.9	Very high	65 Å²	65	53.5 Å²	53.5	46%	0.455	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-38.3	-177.3	50.9	0	0	0	0	112.1	T247 Q262	T247-S249 PolarHBondContact O-N 3.43Å; S249-Q262 PolarHBondContact N-O 2.84Å; S249-Q262 PolarHBondContact OG-O 3.25Å
250	S	97.9	Very high	96.9	Very high	42 Å²	42	48 Å²	48	29%	0.294	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	159.5	-178.3	65.1	0	0	0	0	112.5	Q262	S250-Q262 PolarHBondContact N-O 3.41Å; S250-Q262 PolarHBondContact O-N 3.49Å; S250-Q262 WeakPolarHBondContact OG-CB 3.47Å
251	L	98.3	Very high	97	Very high	19 Å²	19	44.8 Å²	44.8	10%	0.099	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	130.6	165.1	-58.3	-178.7	0	0	0	107.6	V258 V261 T279 V281 F289 L293	L251-V258 HydrophobicContact CB-CG1 4.34Å; L251-V258 HydrophobicContact CD1-CG2 4.31Å; L251-V261 HydrophobicContact CD2-CG1 3.95Å; L251-T279 HydrophobicContact CD2-CG2 4.15Å; L251-V281 HydrophobicContact CD2-CG2 4.1Å; L251-F289 HydrophobicContact CD1-CB 4.26Å; L251-F289 HydrophobicContact CD1-CD1 4.31Å; L251-F289 HydrophobicContact CD1-CG 4.47Å; L251-F289 HydrophobicContact CD2-CD1 4.14Å; L251-F289 HydrophobicContact CD2-CE1 4.44Å; L251-F289 HydrophobicContact CD2-CG 4.35Å; L251-F289 HydrophobicContact CG-CD1 3.77Å; L251-F289 HydrophobicContact CG-CE1 4.31Å; L251-F289 HydrophobicContact CG-CG 4.27Å; L251-L293 HydrophobicContact CD1-CD1 4.22Å; L251-L293 HydrophobicContact CD1-CD2 4.27Å; L251-L293 HydrophobicContact CD1-CG 4.44Å
252	L	97.9	Very high	97	Very high	24 Å²	24	46.5 Å²	46.5	13%	0.126	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	128.2	173.6	-60.3	174.2	0	0	0	108	V258 T259 G260 Q262 D273 Y275	L252-V258 CarbonylContact O-C 3.57Å; L252-V258 VanDerWaalsContact O-CA 3.32Å; L252-V258 WeakPolarHBondContact O-CA 3.27Å; L252-T259 PolarHBondContact O-N 3.19Å; L252-G260 PolarHBondContact N-O 3.33Å; L252-Q262 HydrophobicContact CD2-CB 4.1Å; L252-D273 HydrophobicContact CD1-CB 3.82Å; L252-Y275 HydrophobicContact CD1-CD1 4.26Å; L252-Y275 HydrophobicContact CD1-CE1 3.8Å
253	E	95.9	Very high	97	Very high	85 Å²	85	39.1 Å²	39.1	40%	0.397	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	131	-175.9	-64.1	-171.3	-163	0	0	111.3	C257 V258 K398	E253-C257 CarbonylContact C-O 3.49Å; E253-C257 VanDerWaalsContact CA-O 3.24Å; E253-C257 WeakPolarHBondContact CA-O 3.45Å; E253-V258 HydrophobicContact CG-CG2 4.05Å; E253-K398 IonicContact OE1-NZ 3.06Å; E253-K398 PolarHBondContact OE1-NZ 2.72Å; E253-K398 IonicContact OE2-NZ 3.61Å; E253-K398 PolarHBondContact OE2-NZ 3.49Å
254	E	94.2	Very high	97	Very high	107 Å²	107	43 Å²	43	50%	0.5	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	127.6	174.4	-72.1	163.7	-134.9	0	0	108.5	G256 C257 T259	E254-G256 PolarHBondContact O-N 3.02Å; E254-C257 PolarHBondContact N-O 3.26Å; E254-C257 WeakPolarHBondContact O-CB 3.29Å; E254-C257 PolarHBondContact O-N 3.05Å; E254-T259 HydrophobicContact CB-CG2 3.91Å; E254-T259 HydrophobicContact CG-CG2 4.18Å; E254-T259 PolarHBondContact OE1-OG1 2.85Å; E254-T259 VanDerWaalsContact OE1-OG1 3.1Å
255	D	91.8	Very high	97	Very high	173 Å²	173	43.1 Å²	43.1	93%	0.925	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	32	-178.5	-64.4	-33.6	0	0	0	114.5	C257	D255-C257 VanDerWaalsContact C-N 3.31Å; D255-C257 PolarHBondContact O-N 3.16Å
256	G	90.6	Very high	96.9	Very high	44 Å²	44	45.8 Å²	45.8	45%	0.454	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	7.2	-178.5	0	0	0	0	0	115.2	E254	E254-G256 PolarHBondContact O-N 3.02Å
257	C	95.1	Very high	96.8	Very high	18 Å²	18	54 Å²	54	12%	0.122	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	137.6	172.7	-178.9	0	0	0	0	110.3	E253 E254 D255 T259 P399	E253-C257 CarbonylContact C-O 3.49Å; E253-C257 VanDerWaalsContact CA-O 3.24Å; E253-C257 WeakPolarHBondContact CA-O 3.45Å; E254-C257 PolarHBondContact N-O 3.26Å; E254-C257 WeakPolarHBondContact O-CB 3.29Å; E254-C257 PolarHBondContact O-N 3.05Å; D255-C257 VanDerWaalsContact C-N 3.31Å; D255-C257 PolarHBondContact O-N 3.16Å; C257-T259 PolarHBondContact O-N 2.94Å; C257-P399 HydrophobicContact CB-CB 4.22Å
258	V	97.9	Very high	96.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	121.3	173.7	176	0	0	0	0	109.4	L251 L252 E253 T279 K398 P399 G400 V401	L251-V258 HydrophobicContact CB-CG1 4.34Å; L251-V258 HydrophobicContact CD1-CG2 4.31Å; L252-V258 CarbonylContact O-C 3.57Å; L252-V258 VanDerWaalsContact O-CA 3.32Å; L252-V258 WeakPolarHBondContact O-CA 3.27Å; E253-V258 HydrophobicContact CG-CG2 4.05Å; V258-T279 HydrophobicContact CG1-CG2 4.37Å; V258-K398 HydrophobicContact CG2-CD 3.58Å; V258-K398 HydrophobicContact CG2-CG 4.11Å; V258-P399 PolarHBondContact N-O 3.33Å; V258-G400 WeakPolarHBondContact O-CA 3.21Å; V258-V401 HydrophobicContact CB-CB 3.86Å; V258-V401 HydrophobicContact CB-CG1 4.23Å; V258-V401 HydrophobicContact CG1-CB 4.18Å; V258-V401 HydrophobicContact CG2-CB 3.76Å; V258-V401 HydrophobicContact CG2-CG1 3.68Å; V258-V401 HydrophobicContact CG2-CG2 4.45Å
259	T	97.3	Very high	96.5	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.043	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-11.8	-178.3	57.7	0	0	0	0	114	R99 L252 E254 C257 Y275 A276	R99-T259 PolarHBondContact NH2-O 2.93Å; L252-T259 PolarHBondContact O-N 3.19Å; E254-T259 HydrophobicContact CB-CG2 3.91Å; E254-T259 HydrophobicContact CG-CG2 4.18Å; E254-T259 PolarHBondContact OE1-OG1 2.85Å; E254-T259 VanDerWaalsContact OE1-OG1 3.1Å; C257-T259 PolarHBondContact O-N 2.94Å; T259-Y275 WeakPolarHBondContact O-CA 3.4Å; T259-A276 PolarHBondContact O-N 3Å; T259-A276 VanDerWaalsContact O-N 3.08Å
260	G	97.7	Very high	96.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.2	-157.6	-176.4	0	0	0	0	0	113.4	L252 I274	L252-G260 PolarHBondContact N-O 3.33Å; G260-I274 CarbonylContact C-O 3.58Å; G260-I274 WeakPolarHBondContact CA-O 3.41Å
261	V	98.6	Very high	96.6	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	147.4	176.7	-60.4	0	0	0	0	110.9	V126 V128 V248 L251 D273 I274 T279	V126-V261 HydrophobicContact CG1-CG1 4.1Å; V126-V261 HydrophobicContact CG1-CG2 4.26Å; V126-V261 HydrophobicContact CG2-CG2 3.72Å; V128-V261 HydrophobicContact CG2-CG1 3.84Å; V248-V261 HydrophobicContact CG1-CB 3.91Å; V248-V261 HydrophobicContact CG1-CG1 4.22Å; L251-V261 HydrophobicContact CD2-CG1 3.95Å; V261-D273 WeakPolarHBondContact O-CA 3.3Å; V261-I274 HydrophobicContact CG2-CB 4.07Å; V261-I274 HydrophobicContact CG2-CD1 4.43Å; V261-I274 PolarHBondContact N-O 2.78Å; V261-I274 PolarHBondContact O-N 3.41Å; V261-T279 HydrophobicContact CG1-CG2 3.64Å
262	Q	98.5	Very high	96.5	Very high	55 Å²	55	62.5 Å²	62.5	26%	0.257	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	137.6	164.5	-177.6	170.1	92.6	0	0	108.9	V248 S249 S250 L252 I271 K272 D273	V248-Q262 WeakPolarHBondContact CA-O 3.27Å; V248-Q262 WeakPolarHBondContact CG1-O 3.5Å; S249-Q262 PolarHBondContact N-O 2.84Å; S249-Q262 PolarHBondContact OG-O 3.25Å; S250-Q262 PolarHBondContact N-O 3.41Å; S250-Q262 PolarHBondContact O-N 3.49Å; S250-Q262 WeakPolarHBondContact OG-CB 3.47Å; L252-Q262 HydrophobicContact CD2-CB 4.1Å; Q262-I271 HydrophobicContact CG-CG2 3.35Å; Q262-K272 WeakPolarHBondContact CA-O 3.43Å; Q262-D273 VanDerWaalsContact CB-OD1 3.29Å; Q262-D273 WeakPolarHBondContact CB-OD1 3.41Å; Q262-D273 WeakPolarHBondContact CG-OD1 3.37Å; Q262-D273 PolarHBondContact NE2-OD1 3.2Å
263	Y	98.5	Very high	96.5	Very high	10 Å²	10	64.8 Å²	64.8	4%	0.039	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	154.7	178.9	75.1	-76.5	0	0	0	111.6	V151 I244 T247 D265 I271 K272 I274	V151-Y263 HydrophobicContact CG1-CD2 4.19Å; V151-Y263 HydrophobicContact CG1-CG 4.19Å; I244-Y263 HydrophobicContact CG2-CD2 4.17Å; I244-Y263 HydrophobicContact CG2-CE2 3.45Å; I244-Y263 VanDerWaalsContact CG2-CE2 3.45Å; T247-Y263 WeakPolarHBondContact O-CA 3.31Å; Y263-D265 HydrophobicContact CE2-CB 4.09Å; Y263-I271 WeakPolarHBondContact O-CA 3.32Å; Y263-K272 HydrophobicContact CD1-CB 4.23Å; Y263-K272 WeakPolarHBondContact CD1-O 3.03Å; Y263-K272 HydrophobicContact CE1-CB 3.52Å; Y263-K272 HydrophobicContact CE2-CB 4.46Å; Y263-K272 PolarHBondContact N-O 3.06Å; Y263-K272 PolarHBondContact O-N 3.09Å; Y263-K272 WeakPolarHBondContact OH-CD 3.47Å; Y263-I274 HydrophobicContact CD1-CD1 3.74Å; Y263-I274 HydrophobicContact CD1-CG1 4Å; Y263-I274 HydrophobicContact CE1-CD1 3.44Å; Y263-I274 VanDerWaalsContact CE1-CD1 3.44Å; Y263-I274 HydrophobicContact CE1-CG1 3.57Å
264	K	98.4	Very high	96.6	Very high	116 Å²	116	61.5 Å²	61.5	50%	0.504	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117.4	167.9	-172.6	177.3	-178.4	177.7	0	109	G246 T247 G269 D270	G246-K264 CarbonylContact C-O 3.52Å; G246-K264 WeakPolarHBondContact CA-O 3.43Å; T247-K264 PolarHBondContact N-O 3.04Å; T247-K264 PolarHBondContact O-N 2.99Å; K264-G269 WeakPolarHBondContact CE-O 3.42Å; K264-D270 WeakPolarHBondContact CA-O 3.25Å
265	D	98.1	Very high	96.8	Very high	19 Å²	19	61.2 Å²	61.2	10%	0.102	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	135.4	174.6	-168.6	-66.5	0	0	0	110.2	Y263 E267 T268 G269 D270 K272	Y263-D265 HydrophobicContact CE2-CB 4.09Å; D265-E267 PolarHBondContact OD1-N 3Å; D265-T268 PolarHBondContact OD1-N 3.21Å; D265-G269 WeakPolarHBondContact O-CA 3.49Å; D265-G269 PolarHBondContact O-N 2.83Å; D265-G269 VanDerWaalsContact O-N 3.08Å; D265-D270 PolarHBondContact N-O 2.93Å; D265-K272 HydrophobicContact CB-CD 4.42Å; D265-K272 IonicContact OD2-NZ 2.94Å; D265-K272 PolarHBondContact OD2-NZ 3.47Å
266	K	96.7	Very high	97.1	Very high	99 Å²	99	53 Å²	53	43%	0.43	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-33.1	-177.5	-171.7	175.8	-178.6	171.1	0	112.6	R153 D154 E245	R153-K266 PolarHBondContact O-NZ 3.05Å; D154-K266 IonicContact OD1-NZ 3.55Å; E245-K266 HydrophobicContact CB-CB 4.32Å; E245-K266 HydrophobicContact CB-CD 4.37Å; E245-K266 HydrophobicContact CG-CB 4.27Å; E245-K266 HydrophobicContact CG-CD 3.53Å; E245-K266 VanDerWaalsContact O-CB 3.26Å; E245-K266 WeakPolarHBondContact O-CB 3.07Å; E245-K266 PolarHBondContact O-N 3.33Å; E245-K266 IonicContact OE1-NZ 2.66Å; E245-K266 PolarHBondContact OE1-NZ 3.41Å
267	E	95.3	Very high	97.3	Very high	175 Å²	175	50.9 Å²	50.9	82%	0.818	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-49.8	-176.6	-65	-174.1	168.7	0	0	110.9	D265	D265-E267 PolarHBondContact OD1-N 3Å
268	T	96.2	Very high	97.5	Very high	75 Å²	75	50 Å²	50	46%	0.46	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-23.4	-175.9	76.9	0	0	0	0	112.9	D265 D270 K272	D265-T268 PolarHBondContact OD1-N 3.21Å; T268-D270 WeakPolarHBondContact CB-OD2 3.47Å; T268-D270 PolarHBondContact O-N 3.12Å; T268-D270 WeakPolarHBondContact OG1-CB 3.14Å; T268-D270 PolarHBondContact OG1-N 3.02Å; T268-D270 PolarHBondContact OG1-OD2 2.96Å; T268-K272 PolarHBondContact OG1-NZ 2.77Å
269	G	95.7	Very high	97.5	Very high	33 Å²	33	50 Å²	50	34%	0.34	25%	0.249	S	C	.	.			trans	76.4	-2.4	-174.5	0	0	0	0	0	114.2	K264 D265	K264-G269 WeakPolarHBondContact CE-O 3.42Å; D265-G269 WeakPolarHBondContact O-CA 3.49Å; D265-G269 PolarHBondContact O-N 2.83Å; D265-G269 VanDerWaalsContact O-N 3.08Å
270	D	97.1	Very high	97.6	Very high	88 Å²	88	49.7 Å²	49.7	47%	0.471	25%	0.247	S	C	.	.			trans	-71.1	152.2	-179.4	-57.8	-43.4	0	0	0	111.7	K264 D265 T268 K272	K264-D270 WeakPolarHBondContact CA-O 3.25Å; D265-D270 PolarHBondContact N-O 2.93Å; T268-D270 WeakPolarHBondContact CB-OD2 3.47Å; T268-D270 PolarHBondContact O-N 3.12Å; T268-D270 WeakPolarHBondContact OG1-CB 3.14Å; T268-D270 PolarHBondContact OG1-N 3.02Å; T268-D270 PolarHBondContact OG1-OD2 2.96Å; D270-K272 HydrophobicContact CB-CG 4.32Å
271	I	98.1	Very high	97.7	Very high	113 Å²	113	49.7 Å²	49.7	58%	0.579	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	122.3	170	-60.2	177.1	0	0	0	107.6	Q262 Y263	Q262-I271 HydrophobicContact CG-CG2 3.35Å; Y263-I271 WeakPolarHBondContact O-CA 3.32Å
272	K	97.7	Very high	97.7	Very high	71 Å²	71	50.2 Å²	50.2	31%	0.309	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	152.4	-176.7	-64.1	173.9	-172	164.7	0	110	Q262 Y263 D265 T268 D270	Q262-K272 WeakPolarHBondContact CA-O 3.43Å; Y263-K272 HydrophobicContact CD1-CB 4.23Å; Y263-K272 WeakPolarHBondContact CD1-O 3.03Å; Y263-K272 HydrophobicContact CE1-CB 3.52Å; Y263-K272 HydrophobicContact CE2-CB 4.46Å; Y263-K272 PolarHBondContact N-O 3.06Å; Y263-K272 PolarHBondContact O-N 3.09Å; Y263-K272 WeakPolarHBondContact OH-CD 3.47Å; D265-K272 HydrophobicContact CB-CD 4.42Å; D265-K272 IonicContact OD2-NZ 2.94Å; D265-K272 PolarHBondContact OD2-NZ 3.47Å; T268-K272 PolarHBondContact OG1-NZ 2.77Å; D270-K272 HydrophobicContact CB-CG 4.32Å
273	D	98.1	Very high	97.6	Very high	72 Å²	72	49.7 Å²	49.7	39%	0.385	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	146	179.4	-67.5	-19.1	0	0	0	110.8	L252 V261 Q262 Y275	L252-D273 HydrophobicContact CD1-CB 3.82Å; V261-D273 WeakPolarHBondContact O-CA 3.3Å; Q262-D273 VanDerWaalsContact CB-OD1 3.29Å; Q262-D273 WeakPolarHBondContact CB-OD1 3.41Å; Q262-D273 WeakPolarHBondContact CG-OD1 3.37Å; Q262-D273 PolarHBondContact NE2-OD1 3.2Å; D273-Y275 HydrophobicContact CB-CE2 4.02Å
274	I	98.1	Very high	97.5	Very high	16 Å²	16	50.4 Å²	50.4	8%	0.082	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	118.4	172.7	-59	168	0	0	0	108	P123 V126 T149 V151 I244 G260 V261 Y263	P123-I274 HydrophobicContact CG-CG2 3.67Å; V126-I274 HydrophobicContact CB-CG2 4.21Å; V126-I274 HydrophobicContact CG2-CD1 4.42Å; V126-I274 HydrophobicContact CG2-CG2 4.06Å; T149-I274 HydrophobicContact CG2-CD1 3.95Å; V151-I274 HydrophobicContact CG2-CD1 3.74Å; I244-I274 HydrophobicContact CD1-CD1 3.89Å; G260-I274 CarbonylContact C-O 3.58Å; G260-I274 WeakPolarHBondContact CA-O 3.41Å; V261-I274 HydrophobicContact CG2-CB 4.07Å; V261-I274 HydrophobicContact CG2-CD1 4.43Å; V261-I274 PolarHBondContact N-O 2.78Å; V261-I274 PolarHBondContact O-N 3.41Å; Y263-I274 HydrophobicContact CD1-CD1 3.74Å; Y263-I274 HydrophobicContact CD1-CG1 4Å; Y263-I274 HydrophobicContact CE1-CD1 3.44Å; Y263-I274 VanDerWaalsContact CE1-CD1 3.44Å; Y263-I274 HydrophobicContact CE1-CG1 3.57Å
275	Y	97.9	Very high	97.3	Very high	101 Å²	101	46.1 Å²	46.1	40%	0.396	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	138.3	174	-60.9	-86.6	0	0	0	110.7	L252 T259 D273	L252-Y275 HydrophobicContact CD1-CD1 4.26Å; L252-Y275 HydrophobicContact CD1-CE1 3.8Å; T259-Y275 WeakPolarHBondContact O-CA 3.4Å; D273-Y275 HydrophobicContact CB-CE2 4.02Å
276	A	97.4	Very high	97.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.268	C	S	.	.			trans	-151.2	152.8	179.9	0	0	0	0	0	111.6	R99 P123 V126 T259 L278	R99-A276 VanDerWaalsContact CZ-O 3.3Å; R99-A276 PolarHBondContact NH1-O 3.14Å; R99-A276 PolarHBondContact NH2-O 3.05Å; P123-A276 HydrophobicContact CG-CB 4.38Å; P123-A276 WeakPolarHBondContact O-CA 3.45Å; V126-A276 HydrophobicContact CB-CB 4.08Å; V126-A276 HydrophobicContact CG1-CB 3.89Å; T259-A276 PolarHBondContact O-N 3Å; T259-A276 VanDerWaalsContact O-N 3.08Å; A276-L278 PolarHBondContact O-N 3.03Å
277	G	95.9	Very high	97.2	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.01	25%	0.252	C	S	.	.	S	Bend	trans	-59.2	-30.5	173.8	0	0	0	0	0	112.7	R99 D124	R99-G277 VanDerWaalsContact NH1-C 3.34Å; R99-G277 PolarHBondContact NH1-O 3.31Å; D124-G277 PolarHBondContact O-N 3.42Å
278	L	98.6	Very high	97.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	132.3	177.9	-173	64.1	0	0	0	112.1	D124 V125 V126 A276 V280 L402 L433 L439 L445	D124-L278 PolarHBondContact O-N 3.15Å; D124-L278 VanDerWaalsContact O-N 3.11Å; V125-L278 CarbonylContact C-O 3.11Å; V125-L278 VanDerWaalsContact CA-O 3.27Å; V125-L278 WeakPolarHBondContact CA-O 3.41Å; V125-L278 HydrophobicContact CG2-CB 4.36Å; V126-L278 PolarHBondContact N-O 3.45Å; A276-L278 PolarHBondContact O-N 3.03Å; L278-V280 HydrophobicContact CD2-CG2 4.39Å; L278-V280 HydrophobicContact CG-CG2 4.42Å; L278-L402 HydrophobicContact CD1-CG 4.06Å; L278-L402 HydrophobicContact CD2-CD1 4.02Å; L278-L402 HydrophobicContact CD2-CG 4.3Å; L278-L402 HydrophobicContact CG-CG 4.45Å; L278-L433 HydrophobicContact CD2-CD1 4.33Å; L278-L433 HydrophobicContact CD2-CD2 4.11Å; L278-L439 HydrophobicContact CB-CB 4.47Å; L278-L439 HydrophobicContact CB-CD1 4.04Å; L278-L445 HydrophobicContact CD1-CD1 4.03Å; L278-L445 HydrophobicContact CD1-CD2 4.36Å; L278-L445 HydrophobicContact CD2-CD2 4.45Å
279	T	98.8	Very high	97.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	126	169.6	-62.7	0	0	0	0	110.2	V126 V128 L251 V258 V261 V281 G400 V401 L402	V126-T279 HydrophobicContact CG1-CG2 3.98Å; V126-T279 VanDerWaalsContact CG1-OG1 3.29Å; V126-T279 WeakPolarHBondContact CG1-OG1 3.19Å; V126-T279 CarbonylContact O-C 3.5Å; V126-T279 WeakPolarHBondContact O-CA 3.29Å; V128-T279 HydrophobicContact CG2-CG2 4.28Å; L251-T279 HydrophobicContact CD2-CG2 4.15Å; V258-T279 HydrophobicContact CG1-CG2 4.37Å; V261-T279 HydrophobicContact CG1-CG2 3.64Å; T279-V281 HydrophobicContact CG2-CG2 4.22Å; T279-G400 PolarHBondContact N-O 3.18Å; T279-V401 HydrophobicContact CG2-CG2 4.42Å; T279-V401 CarbonylContact O-C 3.47Å; T279-V401 VanDerWaalsContact O-CA 3.25Å; T279-V401 WeakPolarHBondContact O-CA 3.22Å; T279-L402 PolarHBondContact O-N 3.12Å
280	V	98.8	Very high	97.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	110.7	174.5	-177.9	0	0	0	0	109.3	V125 V126 V127 V128 L133 L278 L402 L404	V125-V280 HydrophobicContact CG1-CG2 3.85Å; V126-V280 PolarHBondContact O-N 3.48Å; V127-V280 CarbonylContact C-O 3.59Å; V127-V280 WeakPolarHBondContact CA-O 3.49Å; V127-V280 HydrophobicContact CG2-CB 4.3Å; V128-V280 PolarHBondContact N-O 3.05Å; L133-V280 HydrophobicContact CD2-CG1 4.33Å; L278-V280 HydrophobicContact CD2-CG2 4.39Å; L278-V280 HydrophobicContact CG-CG2 4.42Å; V280-L402 HydrophobicContact CG2-CB 4.42Å; V280-L402 HydrophobicContact CG2-CD1 4.28Å; V280-L404 HydrophobicContact CG1-CD1 3.99Å
281	V	98.8	Very high	97	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	116.1	176.3	-178.3	0	0	0	0	110	L251 T279 D283 F289 L293 V401 L402 L403 L404	L251-V281 HydrophobicContact CD2-CG2 4.1Å; T279-V281 HydrophobicContact CG2-CG2 4.22Å; V281-D283 VanDerWaalsContact CG1-OD1 3.3Å; V281-D283 WeakPolarHBondContact CG1-OD1 3.3Å; V281-F289 HydrophobicContact CG1-CB 4.08Å; V281-F289 HydrophobicContact CG1-CD2 3.9Å; V281-F289 HydrophobicContact CG1-CG 4.4Å; V281-L293 HydrophobicContact CG2-CD1 4.17Å; V281-V401 HydrophobicContact CG2-CG2 3.95Å; V281-L402 PolarHBondContact N-O 3.26Å; V281-L403 HydrophobicContact CB-CD1 3.71Å; V281-L403 HydrophobicContact CG1-CD1 3.51Å; V281-L404 PolarHBondContact O-N 3.4Å
282	A	98.5	Very high	96.8	Very high	11 Å²	11	45.5 Å²	45.5	9%	0.091	22%	0.223	C	C	.	.			trans	-136.1	33.2	-176	0	0	0	0	0	112.4	V128 L133 G284	V128-A282 CarbonylContact O-C 3.52Å; V128-A282 VanDerWaalsContact O-CA 3.28Å; V128-A282 WeakPolarHBondContact O-CA 3.26Å; V128-A282 WeakPolarHBondContact O-CB 3.23Å; V128-A282 PolarHBondContact O-N 2.6Å; L133-A282 HydrophobicContact CB-CB 4.42Å; L133-A282 HydrophobicContact CD2-CB 3.65Å; A282-G284 PolarHBondContact O-N 2.88Å; A282-G284 VanDerWaalsContact O-N 3.12Å
283	D	97.6	Very high	96.6	Very high	44 Å²	44	42.8 Å²	42.8	24%	0.235	21%	0.212	C	C	.	.			trans	-79.5	14.7	-172.8	64.2	-25.4	0	0	0	115.1	V128 V281 S287 K288 F289 A407	V128-D283 HydrophobicContact CG1-CB 4.36Å; V128-D283 PolarHBondContact O-N 3.49Å; V281-D283 VanDerWaalsContact CG1-OD1 3.3Å; V281-D283 WeakPolarHBondContact CG1-OD1 3.3Å; D283-S287 VanDerWaalsContact CG-OG 3.24Å; D283-S287 WeakPolarHBondContact OD1-CB 3.47Å; D283-S287 PolarHBondContact OD1-OG 2.88Å; D283-S287 WeakPolarHBondContact OD2-CA 3.35Å; D283-S287 PolarHBondContact OD2-OG 3.03Å; D283-K288 PolarHBondContact OD2-N 2.81Å; D283-F289 WeakPolarHBondContact OD2-CD2 3.48Å; D283-A407 WeakPolarHBondContact OD1-CB 3.46Å
284	G	95.8	Very high	96.3	Very high	24 Å²	24	39.9 Å²	39.9	25%	0.247	20%	0.197	C	C	.	.			trans	78.7	-164.9	167.5	0	0	0	0	0	116	A282 F286 S287 R290 D406 A407	A282-G284 PolarHBondContact O-N 2.88Å; A282-G284 VanDerWaalsContact O-N 3.12Å; G284-F286 PolarHBondContact O-N 3.24Å; G284-S287 WeakPolarHBondContact O-CB 3.42Å; G284-S287 PolarHBondContact O-N 3.36Å; G284-S287 VanDerWaalsContact O-N 3.12Å; G284-R290 PolarHBondContact O-NH2 3.17Å; G284-D406 CarbonylContact O-C 3.54Å; G284-A407 VanDerWaalsContact O-CA 3.25Å; G284-A407 WeakPolarHBondContact O-CA 3.18Å; G284-A407 PolarHBondContact O-N 3.46Å
285	C	94.4	Very high	95.5	Very high	26 Å²	26	44.1 Å²	44.1	18%	0.176	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.4	-169.6	57.9	0	0	0	0	114.4	R290 D406 M410	C285-R290 PolarHBondContact O-NH1 3.09Å; C285-R290 PolarHBondContact O-NH2 2.68Å; C285-D406 HydrophobicContact CB-CB 4.15Å; C285-M410 HydrophobicContact CB-SD 3.49Å; C285-M410 WeakPolarHBondContact CB-SD 3.37Å
286	F	94.9	Very high	94.6	Very high	135 Å²	135	40.6 Å²	40.6	59%	0.592	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	30.2	177.6	-56.8	-60	0	0	0	113.2	G284 K288 M386 P387	G284-F286 PolarHBondContact O-N 3.24Å; F286-K288 PolarHBondContact O-N 2.88Å; F286-M386 HydrophobicContact CE2-CE 4.07Å; F286-M386 HydrophobicContact CZ-CE 4.3Å; F286-P387 HydrophobicContact CE1-CG 3.93Å; F286-P387 HydrophobicContact CZ-CG 3.78Å
287	S	96.8	Very high	94.1	Very high	13 Å²	13	48.8 Å²	48.8	9%	0.091	26%	0.258	C	S	.	.			trans	-48.3	129.3	-177.4	178.4	0	0	0	0	113.7	D283 G284 F289 R290	D283-S287 VanDerWaalsContact CG-OG 3.24Å; D283-S287 WeakPolarHBondContact OD1-CB 3.47Å; D283-S287 PolarHBondContact OD1-OG 2.88Å; D283-S287 WeakPolarHBondContact OD2-CA 3.35Å; D283-S287 PolarHBondContact OD2-OG 3.03Å; G284-S287 WeakPolarHBondContact O-CB 3.42Å; G284-S287 PolarHBondContact O-N 3.36Å; G284-S287 VanDerWaalsContact O-N 3.12Å; S287-F289 PolarHBondContact OG-N 3.16Å; S287-R290 PolarHBondContact OG-N 3.46Å
288	K	95.5	Very high	93.9	Very high	155 Å²	155	50.6 Å²	50.6	67%	0.674	27%	0.272	S	S	*	.	S	Bend	trans	-79.7	-32.8	176.4	-68.4	-176.8	-179.2	178.3	0	111.7	D283 F286	D283-K288 PolarHBondContact OD2-N 2.81Å; F286-K288 PolarHBondContact O-N 2.88Å
289	F	96.5	Very high	93.7	Very high	17 Å²	17	59.7 Å²	59.7	8%	0.075	31%	0.307	C	S	.	.	S	Bend	trans	-89.2	-13.4	-173.7	-49.3	-72.4	0	0	0	113.4	V128 V248 L251 V281 D283 S287 K291 S292 L293	V128-F289 HydrophobicContact CG1-CE2 4.02Å; 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 4.1Å; V248-F289 HydrophobicContact CG1-CZ 3.56Å; L251-F289 HydrophobicContact CD1-CB 4.26Å; L251-F289 HydrophobicContact CD1-CD1 4.31Å; L251-F289 HydrophobicContact CD1-CG 4.47Å; L251-F289 HydrophobicContact CD2-CD1 4.14Å; L251-F289 HydrophobicContact CD2-CE1 4.44Å; L251-F289 HydrophobicContact CD2-CG 4.35Å; L251-F289 HydrophobicContact CG-CD1 3.77Å; L251-F289 HydrophobicContact CG-CE1 4.31Å; L251-F289 HydrophobicContact CG-CG 4.27Å; V281-F289 HydrophobicContact CG1-CB 4.08Å; V281-F289 HydrophobicContact CG1-CD2 3.9Å; V281-F289 HydrophobicContact CG1-CG 4.4Å; D283-F289 WeakPolarHBondContact OD2-CD2 3.48Å; S287-F289 PolarHBondContact OG-N 3.16Å; F289-K291 VanDerWaalsContact C-N 3.26Å; F289-K291 PolarHBondContact O-N 2.69Å; F289-K291 VanDerWaalsContact O-N 3.16Å; F289-S292 PolarHBondContact O-N 2.67Å; F289-S292 VanDerWaalsContact O-N 3.09Å; F289-S292 PolarHBondContact O-OG 3.01Å; F289-L293 PolarHBondContact O-N 2.84Å
290	R	95.7	Very high	93.5	Very high	20 Å²	20	64.4 Å²	64.4	8%	0.075	33%	0.331	C	S	.	.	H	α-helix	trans	-48.7	-46.7	179.2	-179.3	-171.6	-61.5	152.8	0.7	113	G284 C285 S287 S292 L293 V294 L391 L403 D406 A407	G284-R290 PolarHBondContact O-NH2 3.17Å; C285-R290 PolarHBondContact O-NH1 3.09Å; C285-R290 PolarHBondContact O-NH2 2.68Å; S287-R290 PolarHBondContact OG-N 3.46Å; R290-S292 PolarHBondContact O-N 2.6Å; R290-L293 PolarHBondContact O-N 2.94Å; R290-L293 VanDerWaalsContact O-N 3.08Å; R290-V294 HydrophobicContact CG-CG2 3.49Å; R290-V294 VanDerWaalsContact CG-CG2 3.49Å; R290-V294 WeakPolarHBondContact O-CG2 2.76Å; R290-V294 PolarHBondContact O-N 2.85Å; R290-L391 VanDerWaalsContact NE-CD2 3.27Å; R290-L403 HydrophobicContact CB-CD2 4.46Å; R290-L403 HydrophobicContact CG-CD2 4.29Å; R290-D406 PolarHBondContact NH2-O 3.09Å; R290-A407 PolarHBondContact NE-O 3.05Å
291	K	93.5	Very high	93.3	Very high	187 Å²	187	65.7 Å²	65.7	81%	0.813	34%	0.34	S	S	*	.	H	α-helix	trans	-64.4	-25.2	-175	-66.8	-178	-177.6	172.8	0	113.7	F289	F289-K291 VanDerWaalsContact C-N 3.26Å; F289-K291 PolarHBondContact O-N 2.69Å; F289-K291 VanDerWaalsContact O-N 3.16Å
292	S	92.9	Very high	93.2	Very high	62 Å²	62	65.8 Å²	65.8	43%	0.434	34%	0.341	S	S	.	.	H	α-helix	trans	-86.7	-13.5	177.2	64.5	0	0	0	0	113.1	F289 R290	F289-S292 PolarHBondContact O-N 2.67Å; F289-S292 VanDerWaalsContact O-N 3.09Å; F289-S292 PolarHBondContact O-OG 3.01Å; R290-S292 PolarHBondContact O-N 2.6Å
293	L	94.4	Very high	93.1	Very high	14 Å²	14	67.5 Å²	67.5	7%	0.073	35%	0.347	C	S	.	.	H	α-helix	trans	-111.1	-29	-174.3	-63.2	179.1	0	0	0	113.5	L251 V281 F289 R290 V396 K398 V401 L403	L251-L293 HydrophobicContact CD1-CD1 4.22Å; L251-L293 HydrophobicContact CD1-CD2 4.27Å; L251-L293 HydrophobicContact CD1-CG 4.44Å; V281-L293 HydrophobicContact CG2-CD1 4.17Å; F289-L293 PolarHBondContact O-N 2.84Å; R290-L293 PolarHBondContact O-N 2.94Å; R290-L293 VanDerWaalsContact O-N 3.08Å; L293-V396 HydrophobicContact CB-CG1 4.33Å; L293-K398 HydrophobicContact CD2-CB 4.17Å; L293-K398 HydrophobicContact CD2-CD 3.91Å; L293-V401 HydrophobicContact CD1-CG2 3.92Å; L293-V401 HydrophobicContact CD2-CG1 3.69Å; L293-V401 HydrophobicContact CD2-CG2 4.32Å; L293-L403 HydrophobicContact CB-CD2 4.16Å; L293-L403 HydrophobicContact CD1-CB 4.09Å; L293-L403 HydrophobicContact CD1-CD1 4.15Å; L293-L403 HydrophobicContact CD1-CD2 4.47Å; L293-L403 HydrophobicContact CD1-CG 4.47Å
294	V	91.6	Very high	93.2	Very high	12 Å²	12	65.6 Å²	65.6	7%	0.073	34%	0.336	C	S	.	.			trans	-139.2	147	177.7	-63.4	0	0	0	0	111.2	R290 A394 V396 L403	R290-V294 HydrophobicContact CG-CG2 3.49Å; R290-V294 VanDerWaalsContact CG-CG2 3.49Å; R290-V294 WeakPolarHBondContact O-CG2 2.76Å; R290-V294 PolarHBondContact O-N 2.85Å; V294-A394 HydrophobicContact CB-CB 4.28Å; V294-A394 HydrophobicContact CG1-CB 4.1Å; V294-V396 HydrophobicContact CG1-CG2 3.87Å; V294-L403 HydrophobicContact CG1-CD2 4.12Å; V294-L403 HydrophobicContact CG2-CD2 4.02Å
295	S	82.3	Confident	93.3	Very high	105 Å²	105	64.5 Å²	64.5	73%	0.734	33%	0.325	S	S	*	.			trans	-81.3	-13.5	179.5	56.4	0	0	0	0	114.1
296	G	78	Confident	93.4	Very high	26 Å²	26	63.3 Å²	63.3	27%	0.268	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-66.6	137.8	-179.4	0	0	0	0	0	112.7
297	K	86.4	Confident	93.5	Very high	172 Å²	172	57.1 Å²	57.1	75%	0.748	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-103.5	136.5	170.4	-66.3	-176.6	-178.3	179	0	109.6	R299	K297-R299 PolarHBondContact O-N 3.4Å
298	A	91.8	Very high	93.5	Very high	39 Å²	39	58 Å²	58	32%	0.322	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-66.2	132.3	170.4	0	0	0	0	0	109.4	F390 L391 M410	A298-F390 WeakPolarHBondContact CA-O 3.37Å; A298-L391 HydrophobicContact CB-CB 4.46Å; A298-M410 HydrophobicContact CB-CE 3.4Å
299	R	93.8	Very high	93.7	Very high	191 Å²	191	50.6 Å²	50.6	72%	0.721	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.7	173.9	-64.8	-177.7	178.1	-177	-2	108.5	K297 S389 F390	K297-R299 PolarHBondContact O-N 3.4Å; R299-S389 CarbonylContact O-C 3.56Å; R299-S389 WeakPolarHBondContact O-CA 3.37Å; R299-F390 PolarHBondContact N-O 2.93Å; R299-F390 PolarHBondContact O-N 3.48Å
300	I	95.3	Very high	93.7	Very high	100 Å²	100	55.5 Å²	55.5	51%	0.513	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	122.1	176.1	-59.5	174.3	0	0	0	107.4	S302 P387	I300-S302 VanDerWaalsContact CG2-O 3.25Å; I300-S302 WeakPolarHBondContact CG2-O 3.15Å; I300-P387 HydrophobicContact CD1-CB 4.09Å; I300-P387 HydrophobicContact CG1-CB 4.2Å; I300-P387 HydrophobicContact CG2-CB 4.09Å
301	S	94.3	Very high	93.6	Very high	27 Å²	27	60.7 Å²	60.7	19%	0.189	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-39	177.4	-61.5	0	0	0	0	111.7	A388 Y472	S301-A388 PolarHBondContact N-O 2.93Å; S301-Y472 PolarHBondContact O-OH 3.38Å
302	S	97	Very high	93.7	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.014	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167	-171	-178.3	51.5	0	0	0	0	109.8	I300 D345 I346 A388 H412 Y472	I300-S302 VanDerWaalsContact CG2-O 3.25Å; I300-S302 WeakPolarHBondContact CG2-O 3.15Å; S302-D345 VanDerWaalsContact CB-OD1 3.23Å; S302-D345 WeakPolarHBondContact CB-OD1 3.35Å; S302-D345 PolarHBondContact OG-OD1 3.43Å; S302-I346 WeakPolarHBondContact CA-O 3.48Å; S302-I346 VanDerWaalsContact CB-O 3.26Å; S302-I346 WeakPolarHBondContact CB-O 3.48Å; S302-A388 WeakPolarHBondContact O-CB 3.44Å; S302-A388 PolarHBondContact O-N 2.78Å; S302-A388 WeakPolarHBondContact OG-CB 3.32Å; S302-H412 PolarHBondContact OG-NE2 2.65Å; S302-Y472 WeakPolarHBondContact CB-OH 3.42Å; S302-Y472 PolarHBondContact OG-OH 2.65Å
303	H	97.6	Very high	93.8	Very high	46 Å²	46	52.8 Å²	52.8	21%	0.213	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.9	170.2	-57.9	81.9	0	0	0	109.8	I346 M350 M386	H303-I346 PolarHBondContact N-O 2.79Å; H303-I346 PolarHBondContact O-N 3.45Å; H303-M350 HydrophobicContact CB-CE 4.24Å; H303-M350 HydrophobicContact CB-SD 3.61Å; H303-M386 WeakPolarHBondContact CA-O 3.29Å
304	F	97.8	Very high	94	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.8	163.6	-84.3	-4.2	0	0	0	109.5	L331 L343 V344 D345 S385 M386 H412 P413	F304-L331 HydrophobicContact CE2-CD1 3.95Å; F304-L331 HydrophobicContact CZ-CD1 3.8Å; F304-L343 HydrophobicContact CB-CD2 4.37Å; F304-L343 HydrophobicContact CD2-CB 4.11Å; F304-L343 HydrophobicContact CD2-CD1 3.79Å; F304-L343 HydrophobicContact CD2-CD2 4.46Å; F304-L343 HydrophobicContact CD2-CG 4.35Å; F304-L343 HydrophobicContact CE2-CB 4.37Å; F304-L343 HydrophobicContact CE2-CD1 3.98Å; F304-L343 HydrophobicContact CG-CB 4.31Å; F304-V344 WeakPolarHBondContact CA-O 3.47Å; F304-D345 HydrophobicContact CD1-CB 3.88Å; F304-D345 HydrophobicContact CE1-CB 3.67Å; F304-D345 WeakPolarHBondContact CE1-OD1 3.22Å; F304-S385 CarbonylContact O-C 3.59Å; F304-S385 VanDerWaalsContact O-CA 3.22Å; F304-S385 WeakPolarHBondContact O-CA 3.17Å; F304-M386 PolarHBondContact N-O 3.23Å; F304-M386 PolarHBondContact O-N 2.91Å; F304-H412 AromaticContact CE1-CE1 3.81Å; F304-H412 AromaticContact CZ-CE1 3.96Å; F304-P413 HydrophobicContact CD2-CB 4.1Å; F304-P413 HydrophobicContact CD2-CG 3.6Å; F304-P413 HydrophobicContact CE2-CB 3.73Å; F304-P413 HydrophobicContact CE2-CG 3.44Å; F304-P413 VanDerWaalsContact CE2-CG 3.44Å; F304-P413 HydrophobicContact CG-CG 4.31Å; F304-P413 HydrophobicContact CZ-CG 3.99Å
305	V	98.1	Very high	94.2	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.012	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.9	169.4	-174.6	0	0	0	0	108.3	L343 V344 I346 M350 L354 M358 L383 R384	V305-L343 WeakPolarHBondContact O-CA 3.41Å; V305-V344 PolarHBondContact N-O 3.19Å; V305-V344 PolarHBondContact O-N 2.86Å; V305-I346 HydrophobicContact CG2-CD1 3.76Å; V305-I346 HydrophobicContact CG2-CG1 4.37Å; V305-M350 HydrophobicContact CG2-CE 3.48Å; V305-M350 VanDerWaalsContact CG2-CE 3.48Å; V305-L354 HydrophobicContact CG1-CD1 4.48Å; V305-L354 HydrophobicContact CG2-CD2 4.29Å; V305-M358 HydrophobicContact CB-CE 3.48Å; V305-M358 VanDerWaalsContact CB-CE 3.48Å; V305-M358 HydrophobicContact CG1-CE 3.38Å; V305-M358 HydrophobicContact CG2-CE 4.23Å; V305-L383 HydrophobicContact CG1-CB 4.14Å; V305-R384 CarbonylContact C-O 3.6Å; V305-R384 VanDerWaalsContact CA-O 3.26Å; V305-R384 WeakPolarHBondContact CA-O 3.49Å
306	G	97.1	Very high	95	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	147.6	-175.8	0	0	0	0	0	114.4	V342 R384	G306-V342 WeakPolarHBondContact CA-O 3.1Å; G306-R384 PolarHBondContact N-O 3.44Å; G306-R384 PolarHBondContact O-N 2.89Å; G306-R384 VanDerWaalsContact O-N 3.08Å
307	C	96.9	Very high	95.9	Very high	4 Å²	4	59.2 Å²	59.2	3%	0.027	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	172.3	167.7	61.4	0	0	0	0	110	R341 V342 D381 L383	C307-R341 PolarHBondContact O-NH1 3.13Å; C307-V342 PolarHBondContact N-O 2.83Å; C307-V342 PolarHBondContact O-N 3.23Å; C307-V342 VanDerWaalsContact O-N 3.09Å; C307-D381 VanDerWaalsContact CA-OD2 3.24Å; C307-D381 WeakPolarHBondContact CA-OD2 3.4Å; C307-L383 HydrophobicContact CB-CD2 3.78Å
308	L	97.8	Very high	96.4	Very high	31 Å²	31	53.6 Å²	53.6	16%	0.162	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.6	174.3	-66.2	177.6	0	0	0	110.1	I335 H339 T340 R341 A377 D381	L308-I335 HydrophobicContact CD2-CD1 3.59Å; L308-I335 HydrophobicContact CD2-CG1 4.38Å; L308-H339 HydrophobicContact CD2-CB 4.44Å; L308-T340 WeakPolarHBondContact CA-O 3.43Å; L308-R341 HydrophobicContact CD2-CB 4.3Å; L308-R341 VanDerWaalsContact CD2-NH1 3.35Å; L308-A377 VanDerWaalsContact O-CB 3.29Å; L308-A377 WeakPolarHBondContact O-CB 3.2Å; L308-D381 PolarHBondContact N-OD2 3.37Å
309	M	97.9	Very high	96.7	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	144.5	164.8	-59.1	-179.3	-56.4	0	0	109.1	C312 I332 H339 T340 V342 L370 P373 F374 A377	M309-C312 HydrophobicContact CB-CB 4.11Å; M309-C312 HydrophobicContact CE-CB 4.27Å; M309-I332 HydrophobicContact CE-CG2 3.98Å; M309-H339 WeakPolarHBondContact O-CA 3.34Å; M309-T340 HydrophobicContact CE-CG2 3.64Å; M309-T340 PolarHBondContact N-O 2.99Å; M309-T340 PolarHBondContact O-N 2.8Å; M309-V342 HydrophobicContact CE-CG2 3.31Å; M309-V342 HydrophobicContact CG-CG2 3.9Å; M309-V342 HydrophobicContact SD-CG2 3.62Å; M309-L370 HydrophobicContact CE-CD2 4.05Å; M309-P373 HydrophobicContact CB-CB 4.04Å; M309-P373 HydrophobicContact CG-CB 4.29Å; M309-P373 HydrophobicContact SD-CB 4.03Å; M309-F374 HydrophobicContact SD-CB 3.77Å; M309-F374 HydrophobicContact SD-CD2 4.23Å; M309-A377 HydrophobicContact CG-CB 3.93Å
310	K	96.9	Very high	96.9	Very high	119 Å²	119	43.3 Å²	43.3	52%	0.517	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	143.7	176.1	-68.6	-177.7	-179.8	175.8	0	110.4	C312 S338	K310-C312 PolarHBondContact O-N 2.88Å; K310-S338 CarbonylContact C-O 3.55Å; K310-S338 WeakPolarHBondContact CA-O 3.37Å
311	D	94.5	Very high	97.1	Very high	130 Å²	130	38.9 Å²	38.9	70%	0.695	21%	0.207	S	C	*	.	S	Bend	trans	48.4	37.6	172.2	-55.4	-43	0	0	0	113.5	S338	D311-S338 PolarHBondContact N-O 2.8Å
312	C	94.8	Very high	97.3	Very high	10 Å²	10	38.3 Å²	38.3	7%	0.068	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-82.9	129.7	-175	-178.8	0	0	0	0	110.9	M309 K310 L370 P373	M309-C312 HydrophobicContact CB-CB 4.11Å; M309-C312 HydrophobicContact CE-CB 4.27Å; K310-C312 PolarHBondContact O-N 2.88Å; C312-L370 WeakPolarHBondContact SG-CD2 3.04Å; C312-P373 HydrophobicContact CB-CB 4.11Å; C312-P373 HydrophobicContact CB-CG 4.32Å
313	P	95.6	Very high	97.4	Very high	73 Å²	73	38.2 Å²	38.2	47%	0.474	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-66.5	154.5	174	29.6	-35.2	0	0	0	111.3	H369	P313-H369 HydrophobicContact CG-CB 4.2Å
314	Q	97.8	Very high	97.3	Very high	48 Å²	48	36 Å²	36	22%	0.224	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-98.7	140.8	170	-58.4	-177.2	-68.9	0	0	109.4	H189 K316 H319	H189-Q314 PolarHBondContact NE2-NE2 2.77Å; Q314-K316 VanDerWaalsContact C-N 3.25Å; Q314-K316 WeakPolarHBondContact CB-O 3.22Å; Q314-K316 PolarHBondContact O-N 3.29Å; Q314-H319 PolarHBondContact NE2-O 2.79Å
315	F	97.3	Very high	97.2	Very high	99 Å²	99	35.9 Å²	35.9	43%	0.434	19%	0.19	S	C	.	.	S	Bend	trans	-56.9	-43.8	172.1	-177.2	-89.7	0	0	0	111.6	V195 H197 E204 E321	V195-F315 HydrophobicContact CB-CD1 4.44Å; V195-F315 HydrophobicContact CG1-CD1 3.88Å; V195-F315 HydrophobicContact CG1-CE1 4.15Å; V195-F315 HydrophobicContact CG1-CG 4.48Å; V195-F315 HydrophobicContact CG2-CD1 4Å; H197-F315 AromaticContact CE1-CD2 3.84Å; H197-F315 AromaticContact CE1-CG 3.91Å; E204-F315 HydrophobicContact CG-CE1 4.13Å; E204-F315 HydrophobicContact CG-CZ 3.83Å; F315-E321 WeakPolarHBondContact CB-OE1 3.49Å; F315-E321 PolarHBondContact N-OE1 3.01Å
316	K	97.4	Very high	97	Very high	80 Å²	80	38.4 Å²	38.4	35%	0.348	20%	0.204	S	C	.	.	S	Bend	trans	-132.4	131.6	171.7	-173.6	170.1	-168.8	168.7	0	109.2	V195 E206 Q314 N318 H319	V195-K316 HydrophobicContact CG2-CB 4.07Å; E206-K316 HydrophobicContact CG-CD 4.27Å; E206-K316 IonicContact OE1-NZ 2.72Å; E206-K316 PolarHBondContact OE1-NZ 2.66Å; E206-K316 IonicContact OE2-NZ 3.96Å; E206-K316 PolarHBondContact OE2-NZ 3.31Å; Q314-K316 VanDerWaalsContact C-N 3.25Å; Q314-K316 WeakPolarHBondContact CB-O 3.22Å; Q314-K316 PolarHBondContact O-N 3.29Å; K316-N318 PolarHBondContact O-N 2.77Å; K316-H319 HydrophobicContact CB-CB 4.16Å; K316-H319 WeakPolarHBondContact O-CB 3.34Å; K316-H319 PolarHBondContact O-N 3.38Å
317	A	97.3	Very high	96.8	Very high	65 Å²	65	41.9 Å²	41.9	54%	0.537	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	134.9	-179.2	0	0	0	0	0	111.8	H319	A317-H319 PolarHBondContact O-N 3.09Å; A317-H319 PolarHBondContact O-ND1 3.13Å
318	N	97.6	Very high	96.7	Very high	54 Å²	54	42.3 Å²	42.3	29%	0.289	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	26.3	-179.1	-51.6	-72.1	0	0	0	114	Q190 V191 N192 K316	Q190-N318 WeakPolarHBondContact O-CB 3.29Å; Q190-N318 PolarHBondContact O-OD1 3.39Å; V191-N318 CarbonylContact C-O 3.43Å; V191-N318 WeakPolarHBondContact CA-O 3.41Å; N192-N318 HydrophobicContact CB-CB 4.19Å; N192-N318 PolarHBondContact N-O 2.86Å; N192-N318 WeakPolarHBondContact ND2-CB 3.34Å; K316-N318 PolarHBondContact O-N 2.77Å
319	H	98.2	Very high	96.7	Very high	12 Å²	12	40.9 Å²	40.9	6%	0.056	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	137.3	173.1	-71.6	59.8	0	0	0	110.2	G193 V195 E206 Q314 K316 A317	G193-H319 VanDerWaalsContact C-CD2 3.43Å; G193-H319 WeakPolarHBondContact O-CA 3.41Å; V195-H319 HydrophobicContact CG2-CB 4.02Å; E206-H319 IonicContact OE1-NE2 2.81Å; Q314-H319 PolarHBondContact NE2-O 2.79Å; K316-H319 HydrophobicContact CB-CB 4.16Å; K316-H319 WeakPolarHBondContact O-CB 3.34Å; K316-H319 PolarHBondContact O-N 3.38Å; A317-H319 PolarHBondContact O-N 3.09Å; A317-H319 PolarHBondContact O-ND1 3.13Å
320	A	98.3	Very high	96.7	Very high	2 Å²	2	40.9 Å²	40.9	2%	0.017	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	157.6	166.5	0	0	0	0	0	109.5	V191 G193 Y194 V195 I332	V191-A320 HydrophobicContact CG1-CB 4.11Å; G193-A320 PolarHBondContact O-N 3.1Å; Y194-A320 CarbonylContact C-O 3.5Å; Y194-A320 WeakPolarHBondContact CA-O 3.32Å; Y194-A320 HydrophobicContact CD1-CB 3.47Å; Y194-A320 VanDerWaalsContact CD1-CB 3.47Å; Y194-A320 HydrophobicContact CE1-CB 3.49Å; Y194-A320 VanDerWaalsContact CE1-CB 3.49Å; Y194-A320 HydrophobicContact CG-CB 4.41Å; V195-A320 PolarHBondContact N-O 2.99Å; A320-I332 CarbonylContact C-O 3.59Å
321	E	98.6	Very high	96.8	Very high	6 Å²	6	36 Å²	36	3%	0.028	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	135.9	-177.4	-57.2	179.1	-148.4	0	0	110.1	V195 H197 F315 I332 H369 L370	V195-E321 HydrophobicContact CB-CG 4.49Å; V195-E321 CarbonylContact O-C 3.31Å; V195-E321 WeakPolarHBondContact O-CA 3.46Å; H197-E321 IonicContact CD2-OE2 3.5Å; H197-E321 IonicContact CE1-OE2 2.67Å; H197-E321 IonicContact NE2-OE2 3.52Å; H197-E321 PolarHBondContact NE2-OE2 3.18Å; F315-E321 WeakPolarHBondContact CB-OE1 3.49Å; F315-E321 PolarHBondContact N-OE1 3.01Å; E321-I332 HydrophobicContact CB-CB 4.17Å; E321-I332 PolarHBondContact N-O 3.46Å; E321-I332 PolarHBondContact O-N 3.03Å; E321-H369 VanDerWaalsContact CD-NE2 3.33Å; E321-H369 IonicContact OE1-CD2 3.09Å; E321-H369 IonicContact OE1-CE1 2.96Å; E321-H369 IonicContact OE1-NE2 2.72Å; E321-H369 PolarHBondContact OE1-NE2 3.49Å; E321-H369 IonicContact OE2-CE1 3.84Å; E321-H369 PolarHBondContact OE2-CE1 2.85Å; E321-H369 IonicContact OE2-NE2 3.35Å; E321-H369 PolarHBondContact OE2-NE2 2.82Å; E321-L370 WeakPolarHBondContact OE2-CD1 3.47Å
322	L	98.4	Very high	97	Very high	15 Å²	15	30 Å²	30	8%	0.079	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	113.6	170.8	169.9	66.4	0	0	0	107.6	V195 I196 H197 L324 P329 L331 L414 F475	V195-L322 PolarHBondContact O-N 2.89Å; I196-L322 CarbonylContact C-O 3.43Å; I196-L322 WeakPolarHBondContact CA-O 3.33Å; I196-L322 HydrophobicContact CD1-CD2 4.41Å; I196-L322 HydrophobicContact CG1-CB 4.38Å; I196-L322 HydrophobicContact CG1-CD2 4.28Å; I196-L322 HydrophobicContact CG2-CD2 4.28Å; I196-L322 HydrophobicContact CG2-CG 4.46Å; H197-L322 PolarHBondContact N-O 2.85Å; L322-L324 HydrophobicContact CD2-CD2 4.09Å; L322-L324 HydrophobicContact CG-CD2 4.18Å; L322-P329 HydrophobicContact CD1-CB 3.84Å; L322-L331 HydrophobicContact CB-CD2 4.35Å; L322-L331 HydrophobicContact CD1-CD2 3.7Å; L322-L331 HydrophobicContact CD1-CG 4.39Å; L322-L414 HydrophobicContact CD1-CD1 4.15Å; L322-F475 HydrophobicContact CD2-CD2 4.1Å; L322-F475 HydrophobicContact CD2-CE2 3.64Å; L322-F475 HydrophobicContact CD2-CZ 4.46Å
323	V	98.4	Very high	97.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	117.5	174.1	-172.8	0	0	0	0	108.2	H197 M199 A325 P329 V330 I332 Q365 L366 P367	H197-V323 HydrophobicContact CB-CG1 4.48Å; H197-V323 HydrophobicContact CB-CG2 4.42Å; M199-V323 HydrophobicContact CG-CG1 3.82Å; M199-V323 HydrophobicContact SD-CG1 4.08Å; V323-A325 HydrophobicContact CG1-CB 4.29Å; V323-A325 PolarHBondContact O-N 3.21Å; V323-P329 WeakPolarHBondContact O-CA 3.48Å; V323-V330 HydrophobicContact CB-CB 4.23Å; V323-V330 PolarHBondContact N-O 2.98Å; V323-V330 PolarHBondContact O-N 3.39Å; V323-I332 HydrophobicContact CG2-CD1 4.19Å; V323-Q365 WeakPolarHBondContact CG1-O 3.33Å; V323-L366 HydrophobicContact CG2-CD2 4.48Å; V323-P367 HydrophobicContact CG2-CG 4.14Å
324	L	97.2	Very high	97.3	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	73.6	168.7	-57.3	-176.9	0	0	0	108.1	I196 H197 D198 L322 F475 R486 F490	I196-L324 HydrophobicContact CG2-CD1 3.89Å; I196-L324 HydrophobicContact CG2-CD2 4.36Å; I196-L324 HydrophobicContact CG2-CG 3.83Å; H197-L324 WeakPolarHBondContact O-CB 3.35Å; H197-L324 PolarHBondContact O-N 3.44Å; D198-L324 HydrophobicContact CB-CD1 4.43Å; L322-L324 HydrophobicContact CD2-CD2 4.09Å; L322-L324 HydrophobicContact CG-CD2 4.18Å; L324-F475 HydrophobicContact CD2-CB 4.32Å; L324-F475 HydrophobicContact CD2-CD1 3.91Å; L324-F475 HydrophobicContact CD2-CD2 3.87Å; L324-F475 HydrophobicContact CD2-CE1 4.12Å; L324-F475 HydrophobicContact CD2-CE2 4.11Å; L324-F475 HydrophobicContact CD2-CG 3.78Å; L324-F475 HydrophobicContact CD2-CZ 4.22Å; L324-R486 VanDerWaalsContact C-NH2 3.28Å; L324-R486 PolarHBondContact O-NH2 3.3Å; L324-F490 HydrophobicContact CD1-CB 4.28Å; L324-F490 HydrophobicContact CD1-CD2 4.16Å; L324-F490 HydrophobicContact CD1-CG 4.5Å
325	A	96.1	Very high	97.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.			trans	-78.8	169.2	172.7	0	0	0	0	0	110.9	V323 N328 V330 Q365 R486	V323-A325 HydrophobicContact CG1-CB 4.29Å; V323-A325 PolarHBondContact O-N 3.21Å; A325-N328 CarbonylContact C-O 3.45Å; A325-N328 WeakPolarHBondContact CB-O 3.41Å; A325-V330 HydrophobicContact CB-CG2 4.22Å; A325-Q365 HydrophobicContact CB-CB 4.18Å; A325-R486 PolarHBondContact O-NH1 3.06Å; A325-R486 PolarHBondContact O-NH2 2.89Å
326	N	93.1	Very high	97.3	Very high	56 Å²	56	21.1 Å²	21.1	30%	0.299	12%	0.12	S	C	.	.	S	Bend	trans	-111.5	135.5	176.1	-70.2	-53.8	0	0	0	110.4	D200 Q365 R486	D200-N326 PolarHBondContact OD1-ND2 2.9Å; N326-Q365 PolarHBondContact O-NE2 2.79Å; N326-Q365 PolarHBondContact O-OE1 2.89Å; N326-R486 PolarHBondContact OD1-NH1 2.92Å; N326-R486 PolarHBondContact OD1-NH2 2.96Å
327	P	93.1	Very high	97.3	Very high	74 Å²	74	21.2 Å²	21.2	48%	0.481	13%	0.131	S	C	.	.	S	Bend	cis	-83	-8.2	-2.2	26.6	-23.4	0	0	0	114.6
328	N	95.2	Very high	97.2	Very high	13 Å²	13	20 Å²	20	7%	0.07	12%	0.118	C	C	.	.	S	Bend	trans	-130.8	153.7	-167.4	-69.7	94.7	0	0	0	111.9	A325 D345 A476	A325-N328 CarbonylContact C-O 3.45Å; A325-N328 WeakPolarHBondContact CB-O 3.41Å; N328-D345 HydrophobicContact CB-CB 3.98Å; N328-D345 WeakPolarHBondContact CB-O 3.17Å; N328-D345 WeakPolarHBondContact CB-OD2 3.48Å; N328-D345 PolarHBondContact ND2-OD2 2.84Å; N328-A476 WeakPolarHBondContact ND2-CB 3.28Å
329	P	97.2	Very high	97.2	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	11%	0.114	C	C	.	.			trans	-73.8	157.3	-177.9	30.1	-35.5	0	0	0	113.6	L322 V323 D345 L414 F475	L322-P329 HydrophobicContact CD1-CB 3.84Å; V323-P329 WeakPolarHBondContact O-CA 3.48Å; P329-D345 HydrophobicContact CG-CB 4.31Å; P329-D345 WeakPolarHBondContact O-CB 3.29Å; P329-D345 PolarHBondContact O-N 3.28Å; P329-L414 HydrophobicContact CB-CD1 4.3Å; P329-L414 HydrophobicContact CG-CD1 3.95Å; P329-F475 HydrophobicContact CB-CB 4.43Å; P329-F475 HydrophobicContact CG-CB 4.23Å
330	V	98.5	Very high	97.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	129	170.9	-175.7	0	0	0	0	109.6	V323 A325 I332 V342 L343 V344 I362 L366	V323-V330 HydrophobicContact CB-CB 4.23Å; V323-V330 PolarHBondContact N-O 2.98Å; V323-V330 PolarHBondContact O-N 3.39Å; A325-V330 HydrophobicContact CB-CG2 4.22Å; V330-I332 HydrophobicContact CG1-CD1 4.34Å; V330-I332 HydrophobicContact CG1-CG1 4.12Å; V330-V342 HydrophobicContact CG1-CG1 3.63Å; V330-L343 WeakPolarHBondContact CA-O 3.47Å; V330-V344 HydrophobicContact CG1-CG2 3.97Å; V330-V344 HydrophobicContact CG2-CG1 4.37Å; V330-V344 HydrophobicContact CG2-CG2 4.14Å; V330-I362 HydrophobicContact CG2-CG2 4.01Å; V330-L366 HydrophobicContact CG1-CD2 4.33Å
331	L	98.4	Very high	97.2	Very high	16 Å²	16	19.6 Å²	19.6	8%	0.084	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	137.9	175.6	-71.7	172.1	0	0	0	110.8	F304 L322 Y333 V342 L343 L414	F304-L331 HydrophobicContact CE2-CD1 3.95Å; F304-L331 HydrophobicContact CZ-CD1 3.8Å; L322-L331 HydrophobicContact CB-CD2 4.35Å; L322-L331 HydrophobicContact CD1-CD2 3.7Å; L322-L331 HydrophobicContact CD1-CG 4.39Å; L331-Y333 HydrophobicContact CB-CE1 4.39Å; L331-V342 CarbonylContact O-C 3.54Å; L331-V342 WeakPolarHBondContact O-CA 3.42Å; L331-L343 HydrophobicContact CB-CB 4.24Å; L331-L343 PolarHBondContact N-O 3.22Å; L331-L343 PolarHBondContact O-N 3.26Å; L331-L414 HydrophobicContact CD1-CD1 4.21Å; L331-L414 HydrophobicContact CD2-CD1 4.21Å; L331-L414 HydrophobicContact CG-CD1 4.19Å
332	I	98.7	Very high	97.2	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.021	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	129.7	-178.3	-54.7	172.4	0	0	0	108.7	M309 A320 E321 V323 V330 T340 R341 V342 L366 L370	M309-I332 HydrophobicContact CE-CG2 3.98Å; A320-I332 CarbonylContact C-O 3.59Å; E321-I332 HydrophobicContact CB-CB 4.17Å; E321-I332 PolarHBondContact N-O 3.46Å; E321-I332 PolarHBondContact O-N 3.03Å; V323-I332 HydrophobicContact CG2-CD1 4.19Å; V330-I332 HydrophobicContact CG1-CD1 4.34Å; V330-I332 HydrophobicContact CG1-CG1 4.12Å; I332-T340 HydrophobicContact CG2-CG2 3.52Å; I332-R341 VanDerWaalsContact CA-O 3.27Å; I332-R341 WeakPolarHBondContact CA-O 3.49Å; I332-V342 HydrophobicContact CG1-CG1 4.21Å; I332-V342 HydrophobicContact CG1-CG2 4.25Å; I332-V342 HydrophobicContact CG2-CG2 4.48Å; I332-L366 HydrophobicContact CD1-CD2 4.46Å; I332-L370 HydrophobicContact CD1-CD1 3.26Å; I332-L370 HydrophobicContact CD1-CG 4.36Å; I332-L370 HydrophobicContact CG2-CD2 4.41Å
333	Y	98.4	Very high	97.2	Very high	16 Å²	16	19 Å²	19	6%	0.063	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	140.4	176.8	48.1	-90.1	0	0	0	111	E164 L165 A221 L331 I335 R341 L343	E164-Y333 HydrophobicContact CB-CE2 3.81Å; L165-Y333 HydrophobicContact CB-CD2 4.36Å; L165-Y333 HydrophobicContact CB-CE2 4.23Å; L165-Y333 HydrophobicContact CD2-CD1 4.49Å; A221-Y333 HydrophobicContact CB-CD2 4.32Å; L331-Y333 HydrophobicContact CB-CE1 4.39Å; Y333-I335 HydrophobicContact CD2-CG2 3.59Å; Y333-I335 HydrophobicContact CE2-CG2 3.64Å; Y333-R341 HydrophobicContact CD2-CB 4.08Å; Y333-R341 HydrophobicContact CE1-CG 4.21Å; Y333-R341 HydrophobicContact CE2-CB 3.76Å; Y333-R341 HydrophobicContact CE2-CG 3.83Å; Y333-R341 PolarHBondContact N-O 2.8Å; Y333-R341 PolarHBondContact O-N 2.67Å; Y333-L343 HydrophobicContact CE1-CD1 4.06Å; Y333-L343 WeakPolarHBondContact OH-CD1 3.37Å
334	Q	98.4	Very high	97.2	Very high	26 Å²	26	19.1 Å²	19.1	12%	0.121	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	130.9	177.6	-172.1	169.3	-2.3	0	0	110.1	H189 A221 S336 S337	H189-Q334 HydrophobicContact CB-CB 4.48Å; H189-Q334 HydrophobicContact CB-CG 4.42Å; H189-Q334 WeakPolarHBondContact CB-O 3.44Å; H189-Q334 PolarHBondContact CE1-OE1 2.84Å; H189-Q334 VanDerWaalsContact CE1-OE1 3.31Å; A221-Q334 WeakPolarHBondContact CB-O 3.41Å; Q334-S336 WeakPolarHBondContact CG-O 3.4Å; Q334-S336 PolarHBondContact NE2-O 2.94Å; Q334-S337 PolarHBondContact NE2-O 3.24Å
335	I	97.9	Very high	97.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.112	C	C	.	.			trans	-114.8	-10.4	-176.5	62.4	168.2	0	0	0	113.2	E164 A221 F222 L308 Y333 H339 R341	E164-I335 HydrophobicContact CB-CG2 4.06Å; A221-I335 HydrophobicContact CB-CG2 4.46Å; F222-I335 VanDerWaalsContact CA-O 3.29Å; F222-I335 WeakPolarHBondContact CA-O 3.27Å; L308-I335 HydrophobicContact CD2-CD1 3.59Å; L308-I335 HydrophobicContact CD2-CG1 4.38Å; Y333-I335 HydrophobicContact CD2-CG2 3.59Å; Y333-I335 HydrophobicContact CE2-CG2 3.64Å; I335-H339 HydrophobicContact CD1-CB 4.49Å; I335-H339 HydrophobicContact CG1-CB 4.06Å; I335-H339 WeakPolarHBondContact CG1-O 3Å; I335-H339 PolarHBondContact N-O 3.39Å; I335-R341 HydrophobicContact CG2-CB 3.93Å
336	S	97.4	Very high	97.3	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.014	11%	0.113	C	C	.	.	S	Bend	trans	-154.9	175.7	172.8	67.5	0	0	0	0	110.8	D187 H223 Q334 S338 H339	D187-S336 WeakPolarHBondContact O-CA 3.41Å; D187-S336 WeakPolarHBondContact OD2-CB 3.43Å; H223-S336 PolarHBondContact NE2-OG 3.17Å; Q334-S336 WeakPolarHBondContact CG-O 3.4Å; Q334-S336 PolarHBondContact NE2-O 2.94Å; S336-S338 PolarHBondContact O-N 2.87Å; S336-S338 VanDerWaalsContact O-N 3.1Å; S336-H339 PolarHBondContact N-O 2.95Å; S336-H339 VanDerWaalsContact OG-CB 3.28Å; S336-H339 WeakPolarHBondContact OG-CB 3.43Å; S336-H339 PolarHBondContact OG-N 3.14Å; S336-H339 PolarHBondContact OG-ND1 2.93Å
337	S	96.3	Very high	97.4	Very high	83 Å²	83	20.6 Å²	20.6	58%	0.58	11%	0.114	S	C	*	.	S	Bend	trans	-53.6	-28.6	176.3	53.1	0	0	0	0	113.8	D187 Q334	D187-S337 WeakPolarHBondContact OD1-CB 3.47Å; D187-S337 PolarHBondContact OD1-N 3.28Å; D187-S337 WeakPolarHBondContact OD2-CB 3.36Å; D187-S337 PolarHBondContact OD2-N 3.29Å; D187-S337 PolarHBondContact OD2-OG 2.87Å; Q334-S337 PolarHBondContact NE2-O 3.24Å
338	S	96.3	Very high	97.4	Very high	38 Å²	38	19.6 Å²	19.6	27%	0.266	12%	0.117	S	C	.	.	S	Bend	trans	-122.6	-9.5	-176.1	55.7	0	0	0	0	115.8	K310 D311 S336	K310-S338 CarbonylContact C-O 3.55Å; K310-S338 WeakPolarHBondContact CA-O 3.37Å; D311-S338 PolarHBondContact N-O 2.8Å; S336-S338 PolarHBondContact O-N 2.87Å; S336-S338 VanDerWaalsContact O-N 3.1Å
339	H	97.6	Very high	97.3	Very high	46 Å²	46	27 Å²	27	21%	0.213	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.7	-176.1	-61.1	72.9	0	0	0	113.1	L308 M309 I335 S336	L308-H339 HydrophobicContact CD2-CB 4.44Å; M309-H339 WeakPolarHBondContact O-CA 3.34Å; I335-H339 HydrophobicContact CD1-CB 4.49Å; I335-H339 HydrophobicContact CG1-CB 4.06Å; I335-H339 WeakPolarHBondContact CG1-O 3Å; I335-H339 PolarHBondContact N-O 3.39Å; S336-H339 PolarHBondContact N-O 2.95Å; S336-H339 VanDerWaalsContact OG-CB 3.28Å; S336-H339 WeakPolarHBondContact OG-CB 3.43Å; S336-H339 PolarHBondContact OG-N 3.14Å; S336-H339 PolarHBondContact OG-ND1 2.93Å
340	T	98.4	Very high	97.2	Very high	6 Å²	6	29.3 Å²	29.3	4%	0.037	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.3	174.2	-64.6	0	0	0	0	110.5	L308 M309 I332	L308-T340 WeakPolarHBondContact CA-O 3.43Å; M309-T340 HydrophobicContact CE-CG2 3.64Å; M309-T340 PolarHBondContact N-O 2.99Å; M309-T340 PolarHBondContact O-N 2.8Å; I332-T340 HydrophobicContact CG2-CG2 3.52Å
341	R	98.4	Very high	97	Very high	9 Å²	9	31 Å²	31	3%	0.034	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	134	176	172.2	61.2	68.3	-152	-1.6	109.6	E164 C307 L308 I332 Y333 I335 L343	E164-R341 IonicContact OE1-CZ 3.81Å; E164-R341 IonicContact OE1-NE 3.97Å; E164-R341 IonicContact OE1-NH2 3.24Å; E164-R341 PolarHBondContact OE1-NH2 2.72Å; E164-R341 WeakPolarHBondContact OE2-CG 3.43Å; E164-R341 IonicContact OE2-CZ 2.95Å; E164-R341 IonicContact OE2-NE 3.17Å; E164-R341 PolarHBondContact OE2-NE 3.32Å; E164-R341 IonicContact OE2-NH2 2.94Å; E164-R341 PolarHBondContact OE2-NH2 2.89Å; C307-R341 PolarHBondContact O-NH1 3.13Å; L308-R341 HydrophobicContact CD2-CB 4.3Å; L308-R341 VanDerWaalsContact CD2-NH1 3.35Å; I332-R341 VanDerWaalsContact CA-O 3.27Å; I332-R341 WeakPolarHBondContact CA-O 3.49Å; Y333-R341 HydrophobicContact CD2-CB 4.08Å; Y333-R341 HydrophobicContact CE1-CG 4.21Å; Y333-R341 HydrophobicContact CE2-CB 3.76Å; Y333-R341 HydrophobicContact CE2-CG 3.83Å; Y333-R341 PolarHBondContact N-O 2.8Å; Y333-R341 PolarHBondContact O-N 2.67Å; I335-R341 HydrophobicContact CG2-CB 3.93Å; R341-L343 HydrophobicContact CG-CD1 4.42Å; R341-L343 HydrophobicContact CG-CD2 4.33Å; R341-L343 HydrophobicContact CG-CG 3.92Å
342	V	98.3	Very high	96.8	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	137.7	162.3	-175.4	0	0	0	0	108.6	G306 C307 M309 V330 L331 I332 V344 F374	G306-V342 WeakPolarHBondContact CA-O 3.1Å; C307-V342 PolarHBondContact N-O 2.83Å; C307-V342 PolarHBondContact O-N 3.23Å; C307-V342 VanDerWaalsContact O-N 3.09Å; M309-V342 HydrophobicContact CE-CG2 3.31Å; M309-V342 HydrophobicContact CG-CG2 3.9Å; M309-V342 HydrophobicContact SD-CG2 3.62Å; V330-V342 HydrophobicContact CG1-CG1 3.63Å; L331-V342 CarbonylContact O-C 3.54Å; L331-V342 WeakPolarHBondContact O-CA 3.42Å; I332-V342 HydrophobicContact CG1-CG1 4.21Å; I332-V342 HydrophobicContact CG1-CG2 4.25Å; I332-V342 HydrophobicContact CG2-CG2 4.48Å; V342-V344 HydrophobicContact CG1-CG2 4.11Å; V342-F374 HydrophobicContact CB-CE2 4.47Å; V342-F374 HydrophobicContact CG1-CD2 4.3Å; V342-F374 HydrophobicContact CG1-CE2 3.92Å; V342-F374 HydrophobicContact CG2-CD2 4.25Å
343	L	98.4	Very high	96.6	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.031	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	111.3	171.2	-65.3	173	0	0	0	109.1	I161 F304 V305 V330 L331 Y333 R341	I161-L343 HydrophobicContact CD1-CD2 4.33Å; F304-L343 HydrophobicContact CB-CD2 4.37Å; F304-L343 HydrophobicContact CD2-CB 4.11Å; F304-L343 HydrophobicContact CD2-CD1 3.79Å; F304-L343 HydrophobicContact CD2-CD2 4.46Å; F304-L343 HydrophobicContact CD2-CG 4.35Å; F304-L343 HydrophobicContact CE2-CB 4.37Å; F304-L343 HydrophobicContact CE2-CD1 3.98Å; F304-L343 HydrophobicContact CG-CB 4.31Å; V305-L343 WeakPolarHBondContact O-CA 3.41Å; V330-L343 WeakPolarHBondContact CA-O 3.47Å; L331-L343 HydrophobicContact CB-CB 4.24Å; L331-L343 PolarHBondContact N-O 3.22Å; L331-L343 PolarHBondContact O-N 3.26Å; Y333-L343 HydrophobicContact CE1-CD1 4.06Å; Y333-L343 WeakPolarHBondContact OH-CD1 3.37Å; R341-L343 HydrophobicContact CG-CD1 4.42Å; R341-L343 HydrophobicContact CG-CD2 4.33Å; R341-L343 HydrophobicContact CG-CG 3.92Å
344	V	98.4	Very high	96.5	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.8	175.8	178.5	0	0	0	0	108.8	F304 V305 V330 V342 I346 M358 I362	F304-V344 WeakPolarHBondContact CA-O 3.47Å; V305-V344 PolarHBondContact N-O 3.19Å; V305-V344 PolarHBondContact O-N 2.86Å; V330-V344 HydrophobicContact CG1-CG2 3.97Å; V330-V344 HydrophobicContact CG2-CG1 4.37Å; V330-V344 HydrophobicContact CG2-CG2 4.14Å; V342-V344 HydrophobicContact CG1-CG2 4.11Å; V344-I346 HydrophobicContact CG1-CG1 4.28Å; V344-M358 HydrophobicContact CB-CE 3.8Å; V344-M358 HydrophobicContact CB-SD 4.01Å; V344-M358 HydrophobicContact CG1-CE 4.1Å; V344-M358 HydrophobicContact CG1-SD 4.02Å; V344-M358 HydrophobicContact CG2-CE 3.99Å; V344-M358 HydrophobicContact CG2-SD 3.69Å; V344-I362 HydrophobicContact CG1-CD1 3.71Å; V344-I362 HydrophobicContact CG1-CG1 3.81Å; V344-I362 HydrophobicContact CG1-CG2 4.44Å; V344-I362 HydrophobicContact CG2-CG2 3.95Å
345	D	98.1	Very high	96.4	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	133.6	173.1	-174.2	75.5	0	0	0	112	S302 F304 N328 P329 H412 Y472	S302-D345 VanDerWaalsContact CB-OD1 3.23Å; S302-D345 WeakPolarHBondContact CB-OD1 3.35Å; S302-D345 PolarHBondContact OG-OD1 3.43Å; F304-D345 HydrophobicContact CD1-CB 3.88Å; F304-D345 HydrophobicContact CE1-CB 3.67Å; F304-D345 WeakPolarHBondContact CE1-OD1 3.22Å; N328-D345 HydrophobicContact CB-CB 3.98Å; N328-D345 WeakPolarHBondContact CB-O 3.17Å; N328-D345 WeakPolarHBondContact CB-OD2 3.48Å; N328-D345 PolarHBondContact ND2-OD2 2.84Å; P329-D345 HydrophobicContact CG-CB 4.31Å; P329-D345 WeakPolarHBondContact O-CB 3.29Å; P329-D345 PolarHBondContact O-N 3.28Å; D345-H412 IonicContact OD1-CE1 3.15Å; D345-H412 IonicContact OD1-NE2 3.81Å; D345-Y472 WeakPolarHBondContact OD2-CE2 3.44Å
346	I	97.6	Very high	96.3	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	111.3	176.1	-56.3	-175.9	0	0	0	108.7	S302 H303 V305 V344 M350 P351 L354 Y357 M358	S302-I346 WeakPolarHBondContact CA-O 3.48Å; S302-I346 VanDerWaalsContact CB-O 3.26Å; S302-I346 WeakPolarHBondContact CB-O 3.48Å; H303-I346 PolarHBondContact N-O 2.79Å; H303-I346 PolarHBondContact O-N 3.45Å; V305-I346 HydrophobicContact CG2-CD1 3.76Å; V305-I346 HydrophobicContact CG2-CG1 4.37Å; V344-I346 HydrophobicContact CG1-CG1 4.28Å; I346-M350 HydrophobicContact CB-SD 3.98Å; I346-M350 HydrophobicContact CD1-CE 4.24Å; I346-M350 HydrophobicContact CD1-SD 4.43Å; I346-M350 HydrophobicContact CG2-SD 3.88Å; I346-P351 HydrophobicContact CD1-CG 4.3Å; I346-L354 HydrophobicContact CD1-CD2 4.1Å; I346-Y357 HydrophobicContact CD1-CD1 3.92Å; I346-Y357 HydrophobicContact CD1-CE1 3.66Å; I346-Y357 HydrophobicContact CG1-CE1 3.98Å; I346-M358 HydrophobicContact CD1-CE 4.47Å
347	R	95.1	Very high	96.3	Very high	82 Å²	82	51.8 Å²	51.8	31%	0.309	27%	0.271	S	S	.	.			trans	-88.9	138.3	175.7	-171.2	175	-168.6	157.6	8.4	110.6	E473 A476	R347-E473 IonicContact CZ-OE2 3.4Å; R347-E473 IonicContact NH1-OE2 2.86Å; R347-E473 PolarHBondContact NH1-OE2 3.42Å; R347-E473 IonicContact NH2-OE1 3.31Å; R347-E473 PolarHBondContact NH2-OE1 3.12Å; R347-E473 IonicContact NH2-OE2 2.98Å; R347-E473 PolarHBondContact NH2-OE2 3.02Å; R347-A476 PolarHBondContact NH1-O 3.12Å
348	G	92.5	Very high	96.4	Very high	53 Å²	53	48 Å²	48	55%	0.546	25%	0.245	S	C	.	.	S	Bend	trans	88.5	-142.9	176.7	0	0	0	0	0	113.4
349	E	92.2	Very high	96.5	Very high	169 Å²	169	47.7 Å²	47.7	79%	0.79	24%	0.244	S	C	*	.	S	Bend	trans	-72.2	133.7	-179.6	-169.6	177.6	175.9	0	0	110.7
350	M	95	Very high	96.4	Very high	50 Å²	50	52.3 Å²	52.3	25%	0.246	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-72.8	133.6	179.9	-72.9	-63.5	-72.3	0	0	110.9	H303 V305 I346 R352 L354	H303-M350 HydrophobicContact CB-CE 4.24Å; H303-M350 HydrophobicContact CB-SD 3.61Å; V305-M350 HydrophobicContact CG2-CE 3.48Å; V305-M350 VanDerWaalsContact CG2-CE 3.48Å; I346-M350 HydrophobicContact CB-SD 3.98Å; I346-M350 HydrophobicContact CD1-CE 4.24Å; I346-M350 HydrophobicContact CD1-SD 4.43Å; I346-M350 HydrophobicContact CG2-SD 3.88Å; M350-R352 PolarHBondContact O-N 2.86Å; M350-L354 HydrophobicContact CE-CD1 4.39Å; M350-L354 HydrophobicContact CE-CD2 3.78Å
351	P	94.8	Very high	96.3	Very high	35 Å²	35	59.7 Å²	59.7	23%	0.227	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-56.4	138.2	171.6	-22.5	31	0	0	0	111.1	I346 L354 Y357	I346-P351 HydrophobicContact CD1-CG 4.3Å; P351-L354 HydrophobicContact CB-CD2 4.25Å; P351-L354 HydrophobicContact CG-CD2 4.32Å; P351-Y357 HydrophobicContact CB-CD2 4.26Å; P351-Y357 HydrophobicContact CB-CG 4.18Å; P351-Y357 HydrophobicContact CG-CD1 4.18Å; P351-Y357 HydrophobicContact CG-CD2 3.59Å; P351-Y357 HydrophobicContact CG-CE2 4.08Å; P351-Y357 HydrophobicContact CG-CG 3.65Å
352	R	94	Very high	96.3	Very high	244 Å²	244	59.5 Å²	59.5	92%	0.921	29%	0.293	S	S	*	.	S	Bend	trans	-67.6	-41.2	175.1	-64.8	-177.3	-175.7	-179.9	1.4	111.4	M350	M350-R352 PolarHBondContact O-N 2.86Å
353	D	95.6	Very high	96.3	Very high	98 Å²	98	61.6 Å²	61.6	52%	0.524	30%	0.302	S	S	.	.			trans	-99.9	91.3	173.3	-179.4	14.4	0	0	0	109.6	P355 G356 Y357	D353-P355 VanDerWaalsContact OD1-CD 3.3Å; D353-P355 WeakPolarHBondContact OD1-CD 3.43Å; D353-G356 PolarHBondContact OD1-N 2.85Å; D353-G356 WeakPolarHBondContact OD2-CA 3.42Å; D353-Y357 WeakPolarHBondContact O-CB 3.25Å; D353-Y357 PolarHBondContact O-N 3.15Å; D353-Y357 VanDerWaalsContact O-N 3.1Å
354	L	95.7	Very high	96.3	Very high	35 Å²	35	64.7 Å²	64.7	18%	0.183	32%	0.323	C	S	.	.	H	α-helix	trans	-67.8	-46.8	177.6	-70.5	173.6	0	0	0	112.3	V305 I346 M350 P351 G356 Y357 M358 L383	V305-L354 HydrophobicContact CG1-CD1 4.48Å; V305-L354 HydrophobicContact CG2-CD2 4.29Å; I346-L354 HydrophobicContact CD1-CD2 4.1Å; M350-L354 HydrophobicContact CE-CD1 4.39Å; M350-L354 HydrophobicContact CE-CD2 3.78Å; P351-L354 HydrophobicContact CB-CD2 4.25Å; P351-L354 HydrophobicContact CG-CD2 4.32Å; L354-G356 PolarHBondContact O-N 3.18Å; L354-Y357 PolarHBondContact O-N 3.08Å; L354-M358 VanDerWaalsContact O-CG 3.31Å; L354-M358 WeakPolarHBondContact O-CG 3.35Å; L354-M358 PolarHBondContact O-N 2.91Å; L354-L383 HydrophobicContact CB-CD1 3.7Å
355	P	95.9	Very high	96.2	Very high	65 Å²	65	66.4 Å²	66.4	42%	0.422	33%	0.331	S	S	.	.	H	α-helix	trans	-56.2	-46.7	175.7	-27	35.6	0	0	0	113.4	D353 Y357 M358 A359 L383	D353-P355 VanDerWaalsContact OD1-CD 3.3Å; D353-P355 WeakPolarHBondContact OD1-CD 3.43Å; P355-Y357 PolarHBondContact O-N 2.98Å; P355-M358 PolarHBondContact O-N 2.87Å; P355-A359 PolarHBondContact O-N 3.48Å; P355-L383 HydrophobicContact CG-CD1 3.97Å
356	G	96.9	Very high	96.2	Very high	13 Å²	13	66.5 Å²	66.5	13%	0.134	33%	0.331	C	S	.	.	H	α-helix	trans	-61.2	-43.7	176.4	0	0	0	0	0	112.4	D353 L354 M358 A359 E360	D353-G356 PolarHBondContact OD1-N 2.85Å; D353-G356 WeakPolarHBondContact OD2-CA 3.42Å; L354-G356 PolarHBondContact O-N 3.18Å; G356-M358 VanDerWaalsContact C-N 3.33Å; G356-M358 PolarHBondContact O-N 3.16Å; G356-A359 PolarHBondContact O-N 3.14Å; G356-E360 WeakPolarHBondContact O-CB 3.39Å; G356-E360 WeakPolarHBondContact O-CG 3.31Å; G356-E360 PolarHBondContact O-N 3.13Å
357	Y	97.3	Very high	96.2	Very high	46 Å²	46	67 Å²	67	18%	0.18	34%	0.335	C	S	.	.	H	α-helix	trans	-58.1	-43.7	174.2	179.6	-93.2	0	0	0	112.4	I346 P351 D353 L354 P355 R361 I362	I346-Y357 HydrophobicContact CD1-CD1 3.92Å; I346-Y357 HydrophobicContact CD1-CE1 3.66Å; I346-Y357 HydrophobicContact CG1-CE1 3.98Å; P351-Y357 HydrophobicContact CB-CD2 4.26Å; P351-Y357 HydrophobicContact CB-CG 4.18Å; P351-Y357 HydrophobicContact CG-CD1 4.18Å; P351-Y357 HydrophobicContact CG-CD2 3.59Å; P351-Y357 HydrophobicContact CG-CE2 4.08Å; P351-Y357 HydrophobicContact CG-CG 3.65Å; D353-Y357 WeakPolarHBondContact O-CB 3.25Å; D353-Y357 PolarHBondContact O-N 3.15Å; D353-Y357 VanDerWaalsContact O-N 3.1Å; L354-Y357 PolarHBondContact O-N 3.08Å; P355-Y357 PolarHBondContact O-N 2.98Å; Y357-R361 HydrophobicContact CD2-CB 4.17Å; Y357-R361 HydrophobicContact CD2-CG 3.81Å; Y357-R361 HydrophobicContact CE2-CB 4.04Å; Y357-R361 HydrophobicContact CE2-CG 3.91Å; Y357-R361 HydrophobicContact CG-CG 4.49Å; Y357-R361 WeakPolarHBondContact O-CA 3.49Å; Y357-R361 VanDerWaalsContact O-CB 3.25Å; Y357-R361 WeakPolarHBondContact O-CB 3.39Å; Y357-R361 PolarHBondContact O-N 2.95Å; Y357-I362 HydrophobicContact CD1-CG1 4.12Å; Y357-I362 HydrophobicContact CE1-CD1 3.8Å; Y357-I362 HydrophobicContact CE1-CG1 3.76Å; Y357-I362 PolarHBondContact O-N 2.85Å
358	M	97.6	Very high	96.2	Very high	3 Å²	3	70 Å²	70	2%	0.015	35%	0.352	C	S	.	.	I	π-helix	trans	-63.8	-45	177.9	-66	-55	177.7	0	0	112	V305 V344 I346 L354 P355 G356 I362 H363 F374 L378 L383	V305-M358 HydrophobicContact CB-CE 3.48Å; V305-M358 VanDerWaalsContact CB-CE 3.48Å; V305-M358 HydrophobicContact CG1-CE 3.38Å; V305-M358 HydrophobicContact CG2-CE 4.23Å; V344-M358 HydrophobicContact CB-CE 3.8Å; V344-M358 HydrophobicContact CB-SD 4.01Å; V344-M358 HydrophobicContact CG1-CE 4.1Å; V344-M358 HydrophobicContact CG1-SD 4.02Å; V344-M358 HydrophobicContact CG2-CE 3.99Å; V344-M358 HydrophobicContact CG2-SD 3.69Å; I346-M358 HydrophobicContact CD1-CE 4.47Å; L354-M358 VanDerWaalsContact O-CG 3.31Å; L354-M358 WeakPolarHBondContact O-CG 3.35Å; L354-M358 PolarHBondContact O-N 2.91Å; P355-M358 PolarHBondContact O-N 2.87Å; G356-M358 VanDerWaalsContact C-N 3.33Å; G356-M358 PolarHBondContact O-N 3.16Å; M358-I362 WeakPolarHBondContact O-CB 3.39Å; M358-I362 PolarHBondContact O-N 2.95Å; M358-I362 HydrophobicContact SD-CB 4.35Å; M358-I362 HydrophobicContact SD-CG1 3.9Å; M358-H363 WeakPolarHBondContact O-CB 3.39Å; M358-H363 PolarHBondContact O-N 3.29Å; M358-F374 HydrophobicContact CB-CE1 4.12Å; M358-F374 HydrophobicContact CB-CZ 3.93Å; M358-F374 HydrophobicContact CG-CZ 4.35Å; M358-F374 HydrophobicContact SD-CZ 4.22Å; M358-L378 HydrophobicContact CB-CD1 3.6Å; M358-L378 HydrophobicContact CB-CD2 3.53Å; M358-L378 HydrophobicContact CB-CG 4.22Å; M358-L378 HydrophobicContact CG-CD2 3.84Å; M358-L383 HydrophobicContact CG-CD1 4.18Å
359	A	97.6	Very high	96.4	Very high	32 Å²	32	69.7 Å²	69.7	26%	0.264	34%	0.336	S	S	.	.	I	π-helix	trans	-70.7	-39.1	-177.9	0	0	0	0	0	113.2	P355 G356 H363 M375 L378	P355-A359 PolarHBondContact O-N 3.48Å; G356-A359 PolarHBondContact O-N 3.14Å; A359-H363 WeakPolarHBondContact O-CB 3.46Å; A359-M375 HydrophobicContact CB-CE 4.29Å; A359-M375 HydrophobicContact CB-SD 4.25Å; A359-L378 HydrophobicContact CB-CD1 4.13Å
360	E	97.3	Very high	96.7	Very high	143 Å²	143	61.7 Å²	61.7	67%	0.668	30%	0.299	S	S	*	.	I	π-helix	trans	-91.1	-34.7	-173.6	-65.2	179.2	-179.2	0	0	113.4	G356	G356-E360 WeakPolarHBondContact O-CB 3.39Å; G356-E360 WeakPolarHBondContact O-CG 3.31Å; G356-E360 PolarHBondContact O-N 3.13Å
361	R	96.5	Very high	96.8	Very high	161 Å²	161	61.4 Å²	61.4	61%	0.608	30%	0.296	S	S	*	.	I	π-helix	trans	-103.4	-39.7	-174	-57.3	-59.3	-160	174.5	3.3	112.9	Y357 Q365	Y357-R361 HydrophobicContact CD2-CB 4.17Å; Y357-R361 HydrophobicContact CD2-CG 3.81Å; Y357-R361 HydrophobicContact CE2-CB 4.04Å; Y357-R361 HydrophobicContact CE2-CG 3.91Å; Y357-R361 HydrophobicContact CG-CG 4.49Å; Y357-R361 WeakPolarHBondContact O-CA 3.49Å; Y357-R361 VanDerWaalsContact O-CB 3.25Å; Y357-R361 WeakPolarHBondContact O-CB 3.39Å; Y357-R361 PolarHBondContact O-N 2.95Å; R361-Q365 PolarHBondContact O-NE2 3.2Å
362	I	97.9	Very high	96.9	Very high	4 Å²	4	67.4 Å²	67.4	2%	0.021	32%	0.322	C	S	.	.	I	π-helix	trans	-93	-51.5	-171.7	-55.6	-59.2	0	0	0	111.6	V330 V344 Y357 M358 P364 Q365 L366 F374	V330-I362 HydrophobicContact CG2-CG2 4.01Å; V344-I362 HydrophobicContact CG1-CD1 3.71Å; V344-I362 HydrophobicContact CG1-CG1 3.81Å; V344-I362 HydrophobicContact CG1-CG2 4.44Å; V344-I362 HydrophobicContact CG2-CG2 3.95Å; Y357-I362 HydrophobicContact CD1-CG1 4.12Å; Y357-I362 HydrophobicContact CE1-CD1 3.8Å; Y357-I362 HydrophobicContact CE1-CG1 3.76Å; Y357-I362 PolarHBondContact O-N 2.85Å; M358-I362 WeakPolarHBondContact O-CB 3.39Å; M358-I362 PolarHBondContact O-N 2.95Å; M358-I362 HydrophobicContact SD-CB 4.35Å; M358-I362 HydrophobicContact SD-CG1 3.9Å; I362-P364 VanDerWaalsContact C-CD 3.46Å; I362-Q365 WeakPolarHBondContact O-CA 3.45Å; I362-Q365 WeakPolarHBondContact O-CB 3.21Å; I362-Q365 PolarHBondContact O-N 2.81Å; I362-L366 HydrophobicContact CG2-CD2 4.26Å; I362-L366 HydrophobicContact CG2-CG 4.44Å; I362-L366 PolarHBondContact O-N 2.85Å; I362-F374 HydrophobicContact CB-CZ 4.49Å; I362-F374 HydrophobicContact CG2-CE1 4.45Å; I362-F374 HydrophobicContact CG2-CZ 4.12Å
363	H	97.9	Very high	97.1	Very high	45 Å²	45	56.7 Å²	56.7	21%	0.208	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-50.2	-43.8	-177.3	164.7	-100.7	0	0	0	114.3	M358 A359 Q365 L366 F374 M375	M358-H363 WeakPolarHBondContact O-CB 3.39Å; M358-H363 PolarHBondContact O-N 3.29Å; A359-H363 WeakPolarHBondContact O-CB 3.46Å; H363-Q365 PolarHBondContact O-N 2.76Å; H363-Q365 VanDerWaalsContact O-N 3.13Å; H363-L366 PolarHBondContact O-N 3.42Å; H363-L366 VanDerWaalsContact O-N 3.14Å; H363-F374 HydrophobicContact CB-CD1 3.92Å; H363-F374 HydrophobicContact CB-CE1 3.95Å; H363-M375 HydrophobicContact CB-SD 4.1Å; H363-M375 WeakPolarHBondContact CD2-CG 3.34Å; H363-M375 WeakPolarHBondContact NE2-CG 3.48Å
364	P	97.4	Very high	97.2	Very high	72 Å²	72	52 Å²	52	47%	0.468	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-63	-21.4	178.3	-23.9	35.4	0	0	0	114.4	I362	I362-P364 VanDerWaalsContact C-CD 3.46Å
365	Q	97.5	Very high	97.3	Very high	39 Å²	39	53.2 Å²	53.2	18%	0.182	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-96.9	1.8	-178.4	-57.2	-174.8	74.5	0	0	112.9	M199 V323 A325 N326 R361 I362 H363	M199-Q365 WeakPolarHBondContact CE-O 3.18Å; M199-Q365 VanDerWaalsContact CG-O 3.31Å; M199-Q365 WeakPolarHBondContact CG-O 3.19Å; M199-Q365 VanDerWaalsContact SD-O 3.34Å; V323-Q365 WeakPolarHBondContact CG1-O 3.33Å; A325-Q365 HydrophobicContact CB-CB 4.18Å; N326-Q365 PolarHBondContact O-NE2 2.79Å; N326-Q365 PolarHBondContact O-OE1 2.89Å; R361-Q365 PolarHBondContact O-NE2 3.2Å; I362-Q365 WeakPolarHBondContact O-CA 3.45Å; I362-Q365 WeakPolarHBondContact O-CB 3.21Å; I362-Q365 PolarHBondContact O-N 2.81Å; H363-Q365 PolarHBondContact O-N 2.76Å; H363-Q365 VanDerWaalsContact O-N 3.13Å
366	L	97.8	Very high	97.3	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	27%	0.265	C	S	.	.	S	Bend	trans	-83.5	148.7	175.5	-62.9	-179.5	0	0	0	111	V323 V330 I332 I362 H363 L370 K371 F374	V323-L366 HydrophobicContact CG2-CD2 4.48Å; V330-L366 HydrophobicContact CG1-CD2 4.33Å; I332-L366 HydrophobicContact CD1-CD2 4.46Å; I362-L366 HydrophobicContact CG2-CD2 4.26Å; I362-L366 HydrophobicContact CG2-CG 4.44Å; I362-L366 PolarHBondContact O-N 2.85Å; H363-L366 PolarHBondContact O-N 3.42Å; H363-L366 VanDerWaalsContact O-N 3.14Å; L366-L370 HydrophobicContact CB-CB 4.43Å; L366-K371 HydrophobicContact CB-CG 4.27Å; L366-K371 WeakPolarHBondContact O-CE 3.21Å; L366-F374 HydrophobicContact CD1-CB 3.76Å; L366-F374 HydrophobicContact CD1-CD1 3.5Å; L366-F374 VanDerWaalsContact CD1-CD1 3.5Å; L366-F374 HydrophobicContact CD1-CD2 3.81Å; L366-F374 HydrophobicContact CD1-CE1 3.94Å; L366-F374 HydrophobicContact CD1-CE2 4.24Å; L366-F374 HydrophobicContact CD1-CG 3.4Å; L366-F374 VanDerWaalsContact CD1-CG 3.4Å; L366-F374 HydrophobicContact CD1-CZ 4.29Å
367	P	97.1	Very high	97.3	Very high	15 Å²	15	54.2 Å²	54.2	10%	0.097	26%	0.26	C	S	.	.			trans	-53.7	148	166.4	-26.9	35.5	0	0	0	112.6	H197 V323 H369 L370 K371	H197-P367 HydrophobicContact CB-CG 4.27Å; V323-P367 HydrophobicContact CG2-CG 4.14Å; P367-H369 VanDerWaalsContact C-N 3.28Å; P367-H369 VanDerWaalsContact CB-CE1 3.46Å; P367-H369 WeakPolarHBondContact CB-CE1 3.44Å; P367-H369 WeakPolarHBondContact CB-ND1 3.43Å; P367-H369 PolarHBondContact O-N 2.88Å; P367-L370 HydrophobicContact CB-CD1 4.15Å; P367-L370 HydrophobicContact CG-CD1 3.95Å; P367-L370 PolarHBondContact O-N 3.24Å; P367-K371 PolarHBondContact O-N 3.24Å
368	E	96.1	Very high	97.2	Very high	145 Å²	145	53.2 Å²	53.2	68%	0.678	26%	0.258	S	S	*	.	H	α-helix	trans	-55.4	-39.2	-173.5	-65.9	-56.8	141	0	0	113.4	L370 K371	E368-L370 PolarHBondContact O-N 3.08Å; E368-L370 VanDerWaalsContact O-N 3.12Å; E368-K371 PolarHBondContact O-N 2.86Å; E368-K371 WeakPolarHBondContact OE1-CE 3.24Å; E368-K371 IonicContact OE1-NZ 2.69Å; E368-K371 PolarHBondContact OE1-NZ 3.28Å; E368-K371 IonicContact OE2-NZ 3.59Å
369	H	96.6	Very high	97	Very high	47 Å²	47	60.3 Å²	60.3	22%	0.218	29%	0.291	C	S	.	.	H	α-helix	trans	-67.5	-12.2	-179	69.8	-77.4	0	0	0	114.1	P313 E321 P367	P313-H369 HydrophobicContact CG-CB 4.2Å; E321-H369 VanDerWaalsContact CD-NE2 3.33Å; E321-H369 IonicContact OE1-CD2 3.09Å; E321-H369 IonicContact OE1-CE1 2.96Å; E321-H369 IonicContact OE1-NE2 2.72Å; E321-H369 PolarHBondContact OE1-NE2 3.49Å; E321-H369 IonicContact OE2-CE1 3.84Å; E321-H369 PolarHBondContact OE2-CE1 2.85Å; E321-H369 IonicContact OE2-NE2 3.35Å; E321-H369 PolarHBondContact OE2-NE2 2.82Å; P367-H369 VanDerWaalsContact C-N 3.28Å; P367-H369 VanDerWaalsContact CB-CE1 3.46Å; P367-H369 WeakPolarHBondContact CB-CE1 3.44Å; P367-H369 WeakPolarHBondContact CB-ND1 3.43Å; P367-H369 PolarHBondContact O-N 2.88Å
370	L	97.8	Very high	96.6	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-105.2	-16.6	-178.9	-59.1	171.1	0	0	0	112.8	M309 C312 E321 I332 L366 P367 E368 F374	M309-L370 HydrophobicContact CE-CD2 4.05Å; C312-L370 WeakPolarHBondContact SG-CD2 3.04Å; E321-L370 WeakPolarHBondContact OE2-CD1 3.47Å; I332-L370 HydrophobicContact CD1-CD1 3.26Å; I332-L370 HydrophobicContact CD1-CG 4.36Å; I332-L370 HydrophobicContact CG2-CD2 4.41Å; L366-L370 HydrophobicContact CB-CB 4.43Å; P367-L370 HydrophobicContact CB-CD1 4.15Å; P367-L370 HydrophobicContact CG-CD1 3.95Å; P367-L370 PolarHBondContact O-N 3.24Å; E368-L370 PolarHBondContact O-N 3.08Å; E368-L370 VanDerWaalsContact O-N 3.12Å; L370-F374 WeakPolarHBondContact O-CB 3.35Å; L370-F374 PolarHBondContact O-N 2.95Å
371	K	97.2	Very high	96.2	Very high	44 Å²	44	60.1 Å²	60.1	19%	0.191	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-51.6	-170.3	-78.8	-174.2	-179.5	172.8	0	113.2	L366 P367 E368 F374 M375	L366-K371 HydrophobicContact CB-CG 4.27Å; L366-K371 WeakPolarHBondContact O-CE 3.21Å; P367-K371 PolarHBondContact O-N 3.24Å; E368-K371 PolarHBondContact O-N 2.86Å; E368-K371 WeakPolarHBondContact OE1-CE 3.24Å; E368-K371 IonicContact OE1-NZ 2.69Å; E368-K371 PolarHBondContact OE1-NZ 3.28Å; E368-K371 IonicContact OE2-NZ 3.59Å; K371-F374 PolarHBondContact O-N 2.95Å; K371-M375 WeakPolarHBondContact O-CG 3.38Å; K371-M375 PolarHBondContact O-N 2.9Å
372	E	97.5	Very high	96	Very high	162 Å²	162	61.4 Å²	61.4	76%	0.757	30%	0.295	S	S	*	.	H	α-helix	trans	-65	-52.6	-179	172.3	177.8	-154.9	0	0	112.2	F374 M375 E376	E372-F374 PolarHBondContact O-N 3.48Å; E372-M375 PolarHBondContact O-N 2.98Å; E372-M375 VanDerWaalsContact O-N 3.14Å; E372-E376 PolarHBondContact O-N 3.38Å
373	P	97.8	Very high	95.9	Very high	18 Å²	18	62.8 Å²	62.8	12%	0.117	30%	0.302	C	S	.	.	H	α-helix	trans	-58.5	-33.3	175.7	-24.9	33.3	0	0	0	113.5	M309 C312 A377	M309-P373 HydrophobicContact CB-CB 4.04Å; M309-P373 HydrophobicContact CG-CB 4.29Å; M309-P373 HydrophobicContact SD-CB 4.03Å; C312-P373 HydrophobicContact CB-CB 4.11Å; C312-P373 HydrophobicContact CB-CG 4.32Å; P373-A377 WeakPolarHBondContact O-CB 3.22Å; P373-A377 PolarHBondContact O-N 3.22Å
374	F	98.1	Very high	95.8	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-67.2	-46.1	176.7	-176.1	-105	0	0	0	111.7	M309 V342 M358 I362 H363 L366 L370 K371 E372 E376 A377 L378	M309-F374 HydrophobicContact SD-CB 3.77Å; M309-F374 HydrophobicContact SD-CD2 4.23Å; V342-F374 HydrophobicContact CB-CE2 4.47Å; V342-F374 HydrophobicContact CG1-CD2 4.3Å; V342-F374 HydrophobicContact CG1-CE2 3.92Å; V342-F374 HydrophobicContact CG2-CD2 4.25Å; M358-F374 HydrophobicContact CB-CE1 4.12Å; M358-F374 HydrophobicContact CB-CZ 3.93Å; M358-F374 HydrophobicContact CG-CZ 4.35Å; M358-F374 HydrophobicContact SD-CZ 4.22Å; I362-F374 HydrophobicContact CB-CZ 4.49Å; I362-F374 HydrophobicContact CG2-CE1 4.45Å; I362-F374 HydrophobicContact CG2-CZ 4.12Å; H363-F374 HydrophobicContact CB-CD1 3.92Å; H363-F374 HydrophobicContact CB-CE1 3.95Å; L366-F374 HydrophobicContact CD1-CB 3.76Å; L366-F374 HydrophobicContact CD1-CD1 3.5Å; L366-F374 VanDerWaalsContact CD1-CD1 3.5Å; L366-F374 HydrophobicContact CD1-CD2 3.81Å; L366-F374 HydrophobicContact CD1-CE1 3.94Å; L366-F374 HydrophobicContact CD1-CE2 4.24Å; L366-F374 HydrophobicContact CD1-CG 3.4Å; L366-F374 VanDerWaalsContact CD1-CG 3.4Å; L366-F374 HydrophobicContact CD1-CZ 4.29Å; L370-F374 WeakPolarHBondContact O-CB 3.35Å; L370-F374 PolarHBondContact O-N 2.95Å; K371-F374 PolarHBondContact O-N 2.95Å; E372-F374 PolarHBondContact O-N 3.48Å; F374-E376 VanDerWaalsContact C-N 3.33Å; F374-E376 PolarHBondContact O-N 3.45Å; F374-A377 WeakPolarHBondContact O-CB 3.32Å; F374-A377 PolarHBondContact O-N 3.37Å; F374-L378 HydrophobicContact CD1-CD1 4.19Å; F374-L378 HydrophobicContact CD1-CG 4.45Å; F374-L378 HydrophobicContact CE1-CD1 3.81Å; F374-L378 HydrophobicContact CE1-CD2 4.39Å; F374-L378 HydrophobicContact CE1-CG 4.23Å; F374-L378 HydrophobicContact CZ-CD1 4.41Å; F374-L378 HydrophobicContact CZ-CD2 4.18Å; F374-L378 HydrophobicContact CZ-CG 4.49Å; F374-L378 WeakPolarHBondContact O-CG 3.25Å; F374-L378 PolarHBondContact O-N 2.97Å
375	M	97.4	Very high	95.7	Very high	60 Å²	60	63.9 Å²	63.9	30%	0.296	31%	0.305	S	S	.	.	H	α-helix	trans	-63.4	-39.3	177.5	-74.2	-60.5	-62.9	0	0	112.4	A359 H363 K371 E372 L378 Q379	A359-M375 HydrophobicContact CB-CE 4.29Å; A359-M375 HydrophobicContact CB-SD 4.25Å; H363-M375 HydrophobicContact CB-SD 4.1Å; H363-M375 WeakPolarHBondContact CD2-CG 3.34Å; H363-M375 WeakPolarHBondContact NE2-CG 3.48Å; K371-M375 WeakPolarHBondContact O-CG 3.38Å; K371-M375 PolarHBondContact O-N 2.9Å; E372-M375 PolarHBondContact O-N 2.98Å; E372-M375 VanDerWaalsContact O-N 3.14Å; M375-L378 PolarHBondContact O-N 3.26Å; M375-L378 HydrophobicContact SD-CD1 4.1Å; M375-Q379 PolarHBondContact O-N 3.1Å
376	E	96.7	Very high	95.6	Very high	94 Å²	94	63.9 Å²	63.9	44%	0.439	31%	0.306	S	S	.	.	H	α-helix	trans	-62.3	-43.8	173.4	-172.4	-174.7	166.1	0	0	111.4	E372 F374 L378 Q379 N380	E372-E376 PolarHBondContact O-N 3.38Å; F374-E376 VanDerWaalsContact C-N 3.33Å; F374-E376 PolarHBondContact O-N 3.45Å; E376-L378 VanDerWaalsContact C-N 3.28Å; E376-L378 PolarHBondContact O-N 3.48Å; E376-Q379 PolarHBondContact O-N 2.91Å; E376-Q379 VanDerWaalsContact O-N 3.07Å; E376-N380 VanDerWaalsContact CG-ND2 3.34Å; E376-N380 WeakPolarHBondContact CG-ND2 3.21Å; E376-N380 PolarHBondContact O-N 3.36Å; E376-N380 VanDerWaalsContact O-N 3.08Å; E376-N380 PolarHBondContact O-ND2 3.12Å
377	A	96.6	Very high	95.5	Very high	5 Å²	5	65.4 Å²	65.4	4%	0.041	32%	0.316	C	S	.	.	H	α-helix	trans	-60.9	-35.3	177.4	0	0	0	0	0	112.8	L308 M309 P373 F374 Q379 N380 D381	L308-A377 VanDerWaalsContact O-CB 3.29Å; L308-A377 WeakPolarHBondContact O-CB 3.2Å; M309-A377 HydrophobicContact CG-CB 3.93Å; P373-A377 WeakPolarHBondContact O-CB 3.22Å; P373-A377 PolarHBondContact O-N 3.22Å; F374-A377 WeakPolarHBondContact O-CB 3.32Å; F374-A377 PolarHBondContact O-N 3.37Å; A377-Q379 PolarHBondContact O-N 3.27Å; A377-N380 PolarHBondContact O-N 3.11Å; A377-D381 WeakPolarHBondContact O-CB 3.33Å; A377-D381 PolarHBondContact O-N 3.43Å
378	L	95.4	Very high	95.5	Very high	25 Å²	25	64.7 Å²	64.7	13%	0.131	31%	0.311	C	S	.	.	H	α-helix	trans	-65.4	-25.7	176.3	-65.3	-177.5	0	0	0	113.3	M358 A359 F374 M375 E376 L383	M358-L378 HydrophobicContact CB-CD1 3.6Å; M358-L378 HydrophobicContact CB-CD2 3.53Å; M358-L378 HydrophobicContact CB-CG 4.22Å; M358-L378 HydrophobicContact CG-CD2 3.84Å; A359-L378 HydrophobicContact CB-CD1 4.13Å; F374-L378 HydrophobicContact CD1-CD1 4.19Å; F374-L378 HydrophobicContact CD1-CG 4.45Å; F374-L378 HydrophobicContact CE1-CD1 3.81Å; F374-L378 HydrophobicContact CE1-CD2 4.39Å; F374-L378 HydrophobicContact CE1-CG 4.23Å; F374-L378 HydrophobicContact CZ-CD1 4.41Å; F374-L378 HydrophobicContact CZ-CD2 4.18Å; F374-L378 HydrophobicContact CZ-CG 4.49Å; F374-L378 WeakPolarHBondContact O-CG 3.25Å; F374-L378 PolarHBondContact O-N 2.97Å; M375-L378 PolarHBondContact O-N 3.26Å; M375-L378 HydrophobicContact SD-CD1 4.1Å; E376-L378 VanDerWaalsContact C-N 3.28Å; E376-L378 PolarHBondContact O-N 3.48Å; L378-L383 HydrophobicContact CD2-CD2 3.98Å
379	Q	92.3	Very high	95.5	Very high	153 Å²	153	58.6 Å²	58.6	72%	0.715	28%	0.284	S	S	*	.	H	α-helix	trans	-85.8	-35.6	177.5	-63.4	177.6	3.7	0	0	112	M375 E376 A377	M375-Q379 PolarHBondContact O-N 3.1Å; E376-Q379 PolarHBondContact O-N 2.91Å; E376-Q379 VanDerWaalsContact O-N 3.07Å; A377-Q379 PolarHBondContact O-N 3.27Å
380	N	90.1	Very high	95.5	Very high	113 Å²	113	58 Å²	58	60%	0.604	28%	0.281	S	S	*	.	H	α-helix	trans	-108.1	-18.5	-165.4	-67.8	-36.7	0	0	0	114.9	E376 A377	E376-N380 VanDerWaalsContact CG-ND2 3.34Å; E376-N380 WeakPolarHBondContact CG-ND2 3.21Å; E376-N380 PolarHBondContact O-N 3.36Å; E376-N380 VanDerWaalsContact O-N 3.08Å; E376-N380 PolarHBondContact O-ND2 3.12Å; A377-N380 PolarHBondContact O-N 3.11Å
381	D	89.2	Confident	95.4	Very high	57 Å²	57	58 Å²	58	31%	0.305	28%	0.281	S	S	.	.	S	Bend	trans	-113.4	155.1	-177.9	-168.7	34.2	0	0	0	112.8	C307 L308 A377	C307-D381 VanDerWaalsContact CA-OD2 3.24Å; C307-D381 WeakPolarHBondContact CA-OD2 3.4Å; L308-D381 PolarHBondContact N-OD2 3.37Å; A377-D381 WeakPolarHBondContact O-CB 3.33Å; A377-D381 PolarHBondContact O-N 3.43Å
382	R	91.8	Very high	95.3	Very high	188 Å²	188	57.9 Å²	57.9	71%	0.709	29%	0.285	S	S	*	.			trans	-86.3	117.3	177.7	-178.3	179.7	175.6	179.5	2.4	110.7	R384	R382-R384 PolarHBondContact O-N 3.21Å
383	L	95.3	Very high	95.2	Very high	33 Å²	33	50.3 Å²	50.3	17%	0.173	25%	0.25	C	C	.	.			trans	-61.7	123.7	169	-58.7	-174.7	0	0	0	111	V305 C307 L354 P355 M358 L378	V305-L383 HydrophobicContact CG1-CB 4.14Å; C307-L383 HydrophobicContact CB-CD2 3.78Å; L354-L383 HydrophobicContact CB-CD1 3.7Å; P355-L383 HydrophobicContact CG-CD1 3.97Å; M358-L383 HydrophobicContact CG-CD1 4.18Å; L378-L383 HydrophobicContact CD2-CD2 3.98Å
384	R	95.4	Very high	94.9	Very high	75 Å²	75	49.9 Å²	49.9	28%	0.283	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.5	176.6	-74.3	179.4	144.8	-156.3	-3.3	110.1	D159 I161 V305 G306 R382	D159-R384 VanDerWaalsContact C-NH1 3.3Å; D159-R384 PolarHBondContact O-NH1 2.81Å; D159-R384 IonicContact OD1-CZ 2.75Å; D159-R384 IonicContact OD1-NH1 3.36Å; D159-R384 PolarHBondContact OD1-NH1 2.77Å; D159-R384 IonicContact OD1-NH2 3.61Å; D159-R384 IonicContact OD2-CZ 2.93Å; D159-R384 IonicContact OD2-NH1 3.03Å; D159-R384 PolarHBondContact OD2-NH1 3.31Å; D159-R384 IonicContact OD2-NH2 3.85Å; D159-R384 PolarHBondContact OD2-NH2 2.82Å; I161-R384 HydrophobicContact CD1-CB 3.95Å; I161-R384 VanDerWaalsContact CD1-O 3.23Å; I161-R384 WeakPolarHBondContact CD1-O 3.12Å; I161-R384 HydrophobicContact CG2-CB 3.77Å; I161-R384 HydrophobicContact CG2-CG 4.4Å; V305-R384 CarbonylContact C-O 3.6Å; V305-R384 VanDerWaalsContact CA-O 3.26Å; V305-R384 WeakPolarHBondContact CA-O 3.49Å; G306-R384 PolarHBondContact N-O 3.44Å; G306-R384 PolarHBondContact O-N 2.89Å; G306-R384 VanDerWaalsContact O-N 3.08Å; R382-R384 PolarHBondContact O-N 3.21Å
385	S	95.6	Very high	94.6	Very high	65 Å²	65	50.7 Å²	50.7	46%	0.455	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146.1	178.4	65.1	0	0	0	0	112.5	F304	F304-S385 CarbonylContact O-C 3.59Å; F304-S385 VanDerWaalsContact O-CA 3.22Å; F304-S385 WeakPolarHBondContact O-CA 3.17Å
386	M	95.8	Very high	94.4	Very high	39 Å²	39	48.1 Å²	48.1	19%	0.192	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	137.4	174.8	-78.2	-66	-65.1	0	0	110.2	I161 V162 F286 H303 F304 A388	I161-M386 HydrophobicContact CD1-CB 4.31Å; I161-M386 HydrophobicContact CD1-CG 3.99Å; I161-M386 HydrophobicContact CG1-CB 4.43Å; I161-M386 HydrophobicContact CG1-CG 3.76Å; V162-M386 HydrophobicContact CG1-CB 4.03Å; V162-M386 HydrophobicContact CG1-CG 4.12Å; V162-M386 HydrophobicContact CG2-CE 4.15Å; F286-M386 HydrophobicContact CE2-CE 4.07Å; F286-M386 HydrophobicContact CZ-CE 4.3Å; H303-M386 WeakPolarHBondContact CA-O 3.29Å; F304-M386 PolarHBondContact N-O 3.23Å; F304-M386 PolarHBondContact O-N 2.91Å; M386-A388 PolarHBondContact O-N 3.5Å
387	P	96	Very high	94.2	Very high	35 Å²	35	48.3 Å²	48.3	23%	0.227	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	131.9	178.9	28.9	-34	0	0	0	111.2	F286 I300 S389	F286-P387 HydrophobicContact CE1-CG 3.93Å; F286-P387 HydrophobicContact CZ-CG 3.78Å; I300-P387 HydrophobicContact CD1-CB 4.09Å; I300-P387 HydrophobicContact CG1-CB 4.2Å; I300-P387 HydrophobicContact CG2-CB 4.09Å; P387-S389 PolarHBondContact O-N 3.03Å
388	A	96.8	Very high	94.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	95.9	169.2	0	0	0	0	0	109.3	S301 S302 M386 H412 P413	S301-A388 PolarHBondContact N-O 2.93Å; S302-A388 WeakPolarHBondContact O-CB 3.44Å; S302-A388 PolarHBondContact O-N 2.78Å; S302-A388 WeakPolarHBondContact OG-CB 3.32Å; M386-A388 PolarHBondContact O-N 3.5Å; A388-H412 WeakPolarHBondContact CB-NE2 3.44Å; A388-P413 HydrophobicContact CB-CG 3.95Å
389	S	95.6	Very high	94.1	Very high	16 Å²	16	51.5 Å²	51.5	11%	0.112	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	148.9	-173	-61.9	0	0	0	0	113.3	R299 P387 R411	R299-S389 CarbonylContact O-C 3.56Å; R299-S389 WeakPolarHBondContact O-CA 3.37Å; P387-S389 PolarHBondContact O-N 3.03Å; S389-R411 CarbonylContact O-C 3.5Å; S389-R411 VanDerWaalsContact O-C 3.31Å
390	F	96.8	Very high	94.3	Very high	35 Å²	35	44.3 Å²	44.3	15%	0.154	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127	167.8	-177.5	-137.3	0	0	0	110.6	A298 R299 P392 M410 Q469 L562	A298-F390 WeakPolarHBondContact CA-O 3.37Å; R299-F390 PolarHBondContact N-O 2.93Å; R299-F390 PolarHBondContact O-N 3.48Å; F390-P392 HydrophobicContact CE2-CB 4.4Å; F390-P392 HydrophobicContact CZ-CB 4.06Å; F390-P392 HydrophobicContact CZ-CG 4.35Å; F390-M410 WeakPolarHBondContact CD2-O 3.28Å; F390-Q469 HydrophobicContact CD2-CG 3.85Å; F390-Q469 HydrophobicContact CE2-CG 3.91Å; F390-Q469 HydrophobicContact CG-CG 4.3Å; F390-Q469 VanDerWaalsContact CG-NE2 3.26Å; F390-Q469 HydrophobicContact CZ-CG 4.41Å; F390-L562 HydrophobicContact CE1-CD2 4.43Å; F390-L562 HydrophobicContact CZ-CD2 4.16Å
391	L	96.4	Very high	94.7	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-141.4	102.5	172.1	176	67.4	0	0	0	108.4	R290 A298 Y408 N409 M410	R290-L391 VanDerWaalsContact NE-CD2 3.27Å; A298-L391 HydrophobicContact CB-CB 4.46Å; L391-Y408 WeakPolarHBondContact CD2-O 3.38Å; L391-N409 WeakPolarHBondContact O-CA 3.37Å; L391-N409 PolarHBondContact O-ND2 3.4Å; L391-M410 CarbonylContact C-O 3.6Å; L391-M410 HydrophobicContact CB-CB 3.92Å; L391-M410 HydrophobicContact CB-CE 3.67Å; L391-M410 HydrophobicContact CB-CG 4.31Å; L391-M410 HydrophobicContact CD2-CE 3.96Å; L391-M410 HydrophobicContact CG-CE 4.47Å; L391-M410 PolarHBondContact N-O 2.85Å; L391-M410 PolarHBondContact O-N 3.05Å; L391-M410 VanDerWaalsContact O-O 3.1Å
392	P	95.2	Very high	95.2	Very high	42 Å²	42	36.3 Å²	36.3	27%	0.273	19%	0.186	S	C	.	.			trans	-65.1	151.4	176	28.4	-34.5	0	0	0	110.6	F390	F390-P392 HydrophobicContact CE2-CB 4.4Å; F390-P392 HydrophobicContact CZ-CB 4.06Å; F390-P392 HydrophobicContact CZ-CG 4.35Å
393	P	94.1	Very high	95.5	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.019	15%	0.153	C	C	.	.			trans	-67.2	151.5	179.8	30.7	-34.6	0	0	0	111.3	Y408 N409 E566	P393-Y408 HydrophobicContact CB-CE1 3.9Å; P393-N409 HydrophobicContact CB-CB 4.26Å; P393-N409 WeakPolarHBondContact CD-ND2 3.22Å; P393-E566 WeakPolarHBondContact CD-OE1 3.49Å
394	A	92.5	Very high	95.6	Very high	8 Å²	8	26 Å²	26	7%	0.066	15%	0.145	C	C	.	.			trans	-140.9	155.1	175.9	0	0	0	0	0	111.1	V294 V396 Y408 Y569	V294-A394 HydrophobicContact CB-CB 4.28Å; V294-A394 HydrophobicContact CG1-CB 4.1Å; A394-V396 PolarHBondContact O-N 3.28Å; A394-Y408 WeakPolarHBondContact O-CE2 3.23Å; A394-Y408 PolarHBondContact O-OH 3.39Å; A394-Y569 HydrophobicContact CB-CE2 3.94Å
395	P	91.8	Very high	95.8	Very high	18 Å²	18	22.9 Å²	22.9	12%	0.117	14%	0.136	C	C	.	.			trans	-61.5	133.4	172.4	-29.3	36.7	0	0	0	112.5	Y569 Y572	P395-Y569 HydrophobicContact CG-CD1 3.55Å; P395-Y569 HydrophobicContact CG-CD2 4.14Å; P395-Y569 HydrophobicContact CG-CE1 4.23Å; P395-Y569 HydrophobicContact CG-CG 3.48Å; P395-Y569 VanDerWaalsContact CG-CG 3.48Å; P395-Y572 WeakPolarHBondContact CA-OH 3.33Å; P395-Y572 HydrophobicContact CB-CD1 4.13Å; P395-Y572 HydrophobicContact CB-CD2 4.3Å; P395-Y572 HydrophobicContact CB-CE1 3.71Å; P395-Y572 HydrophobicContact CB-CE2 3.85Å; P395-Y572 HydrophobicContact CB-CG 4.43Å; P395-Y572 HydrophobicContact CG-CD2 4.35Å; P395-Y572 HydrophobicContact CG-CE2 4.09Å
396	V	94.1	Very high	95.9	Very high	6 Å²	6	22.8 Å²	22.8	4%	0.036	13%	0.131	C	C	.	.			trans	-101.8	91.1	170.5	-173.5	0	0	0	0	109	L293 V294 A394 V401 L403 Y408 K449 Y572	L293-V396 HydrophobicContact CB-CG1 4.33Å; V294-V396 HydrophobicContact CG1-CG2 3.87Å; A394-V396 PolarHBondContact O-N 3.28Å; V396-V401 HydrophobicContact CG1-CG1 4.43Å; V396-L403 HydrophobicContact CG2-CB 3.95Å; V396-Y408 HydrophobicContact CG2-CD2 4.15Å; V396-Y408 HydrophobicContact CG2-CE2 3.87Å; V396-K449 WeakPolarHBondContact O-CD 3.31Å; V396-K449 PolarHBondContact O-NZ 2.84Å; V396-Y572 PolarHBondContact N-OH 3.2Å
397	N	90.6	Very high	95.9	Very high	97 Å²	97	21 Å²	21	52%	0.519	12%	0.121	S	C	.	.			trans	-79.6	-19.5	-173.7	-66.9	-15.1	0	0	0	113.6	P399 Y572	N397-P399 WeakPolarHBondContact O-CD 3.13Å; N397-Y572 WeakPolarHBondContact OD1-CD1 3.47Å; N397-Y572 VanDerWaalsContact OD1-CE1 3.32Å; N397-Y572 WeakPolarHBondContact OD1-CE1 3.47Å
398	K	94.6	Very high	96	Very high	47 Å²	47	19.5 Å²	19.5	20%	0.204	11%	0.112	C	C	.	.	S	Bend	trans	-61.1	125.4	-178.9	-167	171.8	-65.8	-154.6	0	110.7	E253 V258 L293 V401 K449	E253-K398 IonicContact OE1-NZ 3.06Å; E253-K398 PolarHBondContact OE1-NZ 2.72Å; E253-K398 IonicContact OE2-NZ 3.61Å; E253-K398 PolarHBondContact OE2-NZ 3.49Å; V258-K398 HydrophobicContact CG2-CD 3.58Å; V258-K398 HydrophobicContact CG2-CG 4.11Å; L293-K398 HydrophobicContact CD2-CB 4.17Å; L293-K398 HydrophobicContact CD2-CD 3.91Å; K398-V401 HydrophobicContact CB-CG1 3.82Å; K398-V401 HydrophobicContact CD-CG1 4.35Å; K398-V401 HydrophobicContact CG-CG1 4.04Å; K398-V401 WeakPolarHBondContact O-CG1 3.39Å; K398-K449 PolarHBondContact O-NZ 3.22Å
399	P	96.3	Very high	96	Very high	50 Å²	50	19.6 Å²	19.6	33%	0.325	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	161.4	176.7	-20.4	33.5	0	0	0	112.9	C257 V258 N397 V401	C257-P399 HydrophobicContact CB-CB 4.22Å; V258-P399 PolarHBondContact N-O 3.33Å; N397-P399 WeakPolarHBondContact O-CD 3.13Å; P399-V401 PolarHBondContact O-N 3.28Å; P399-V401 VanDerWaalsContact O-N 3.09Å
400	G	97.1	Very high	96.1	Very high	2 Å²	2	19 Å²	19	2%	0.021	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	-0.5	179	0	0	0	0	0	116.6	V258 T279	V258-G400 WeakPolarHBondContact O-CA 3.21Å; T279-G400 PolarHBondContact N-O 3.18Å
401	V	98.4	Very high	96.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	143.3	-176.6	64.6	0	0	0	0	114.3	V258 T279 V281 L293 V396 K398 P399 K449	V258-V401 HydrophobicContact CB-CB 3.86Å; V258-V401 HydrophobicContact CB-CG1 4.23Å; V258-V401 HydrophobicContact CG1-CB 4.18Å; V258-V401 HydrophobicContact CG2-CB 3.76Å; V258-V401 HydrophobicContact CG2-CG1 3.68Å; V258-V401 HydrophobicContact CG2-CG2 4.45Å; T279-V401 HydrophobicContact CG2-CG2 4.42Å; T279-V401 CarbonylContact O-C 3.47Å; T279-V401 VanDerWaalsContact O-CA 3.25Å; T279-V401 WeakPolarHBondContact O-CA 3.22Å; V281-V401 HydrophobicContact CG2-CG2 3.95Å; L293-V401 HydrophobicContact CD1-CG2 3.92Å; L293-V401 HydrophobicContact CD2-CG1 3.69Å; L293-V401 HydrophobicContact CD2-CG2 4.32Å; V396-V401 HydrophobicContact CG1-CG1 4.43Å; K398-V401 HydrophobicContact CB-CG1 3.82Å; K398-V401 HydrophobicContact CD-CG1 4.35Å; K398-V401 HydrophobicContact CG-CG1 4.04Å; K398-V401 WeakPolarHBondContact O-CG1 3.39Å; P399-V401 PolarHBondContact O-N 3.28Å; P399-V401 VanDerWaalsContact O-N 3.09Å; V401-K449 VanDerWaalsContact O-CE 3.29Å; V401-K449 WeakPolarHBondContact O-CE 3.45Å; V401-K449 PolarHBondContact O-NZ 3.4Å
402	L	98.6	Very high	96.2	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.016	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	142.1	163.4	-55.2	-175.9	0	0	0	109.5	L278 T279 V280 V281 L404 W429 K449	L278-L402 HydrophobicContact CD1-CG 4.06Å; L278-L402 HydrophobicContact CD2-CD1 4.02Å; L278-L402 HydrophobicContact CD2-CG 4.3Å; L278-L402 HydrophobicContact CG-CG 4.45Å; T279-L402 PolarHBondContact O-N 3.12Å; V280-L402 HydrophobicContact CG2-CB 4.42Å; V280-L402 HydrophobicContact CG2-CD1 4.28Å; V281-L402 PolarHBondContact N-O 3.26Å; L402-L404 HydrophobicContact CB-CD1 4.35Å; L402-L404 HydrophobicContact CB-CG 4.23Å; L402-L404 HydrophobicContact CD1-CD1 4.31Å; L402-W429 HydrophobicContact CD1-CD2 3.87Å; L402-W429 HydrophobicContact CD1-CE3 3.9Å; L402-W429 HydrophobicContact CD1-CH2 4.07Å; L402-W429 HydrophobicContact CD1-CZ2 4.04Å; L402-W429 HydrophobicContact CD1-CZ3 3.99Å; L402-W429 HydrophobicContact CD2-CH2 3.57Å; L402-W429 HydrophobicContact CD2-CZ2 3.76Å; L402-W429 HydrophobicContact CD2-CZ3 4.14Å; L402-W429 HydrophobicContact CG-CH2 4.5Å; L402-K449 HydrophobicContact CD2-CD 4.49Å; L402-K449 VanDerWaalsContact CD2-CE 3.5Å; L402-K449 HydrophobicContact CD2-CG 4.17Å
403	L	98.4	Very high	96.3	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.016	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.8	166.7	-176.3	65.4	0	0	0	106.8	V281 R290 L293 V294 V396 A407 Y408	V281-L403 HydrophobicContact CB-CD1 3.71Å; V281-L403 HydrophobicContact CG1-CD1 3.51Å; R290-L403 HydrophobicContact CB-CD2 4.46Å; R290-L403 HydrophobicContact CG-CD2 4.29Å; L293-L403 HydrophobicContact CB-CD2 4.16Å; L293-L403 HydrophobicContact CD1-CB 4.09Å; L293-L403 HydrophobicContact CD1-CD1 4.15Å; L293-L403 HydrophobicContact CD1-CD2 4.47Å; L293-L403 HydrophobicContact CD1-CG 4.47Å; V294-L403 HydrophobicContact CG1-CD2 4.12Å; V294-L403 HydrophobicContact CG2-CD2 4.02Å; V396-L403 HydrophobicContact CG2-CB 3.95Å; L403-A407 HydrophobicContact CD1-CB 3.59Å; L403-A407 HydrophobicContact CG-CB 4.34Å; L403-Y408 HydrophobicContact CB-CD2 4.27Å; L403-Y408 HydrophobicContact CD2-CD2 4.3Å; L403-Y408 HydrophobicContact CG-CD2 4.29Å; L403-Y408 WeakPolarHBondContact O-CB 3.44Å; L403-Y408 VanDerWaalsContact O-CD2 3.31Å; L403-Y408 WeakPolarHBondContact O-CD2 3.49Å; L403-Y408 VanDerWaalsContact O-CG 3.26Å
404	L	98.6	Very high	96.4	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	11%	0.105	C	C	.	.			trans	-137.3	165.8	-174.8	-59.7	175.3	0	0	0	112.9	L133 M137 V280 V281 L402 A407 W429 F452	L133-L404 HydrophobicContact CD1-CB 3.42Å; L133-L404 VanDerWaalsContact CD1-CB 3.42Å; L133-L404 HydrophobicContact CD1-CD1 4.49Å; L133-L404 HydrophobicContact CD2-CB 3.79Å; L133-L404 HydrophobicContact CD2-CD1 4.2Å; L133-L404 HydrophobicContact CG-CB 4.29Å; M137-L404 HydrophobicContact CE-CD1 3.46Å; M137-L404 VanDerWaalsContact CE-CD1 3.46Å; V280-L404 HydrophobicContact CG1-CD1 3.99Å; V281-L404 PolarHBondContact O-N 3.4Å; L402-L404 HydrophobicContact CB-CD1 4.35Å; L402-L404 HydrophobicContact CB-CG 4.23Å; L402-L404 HydrophobicContact CD1-CD1 4.31Å; L404-A407 WeakPolarHBondContact O-CB 3.17Å; L404-W429 HydrophobicContact CD1-CG 4.34Å; L404-F452 HydrophobicContact CD2-CE1 4.1Å; L404-F452 HydrophobicContact CD2-CZ 3.84Å
405	G	97.9	Very high	96.5	Very high	9 Å²	9	18.5 Å²	18.5	9%	0.093	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	72.5	-152.1	177.5	0	0	0	0	0	111.6	L133 A407 Y408 N409	L133-G405 VanDerWaalsContact CD1-N 3.28Å; G405-A407 PolarHBondContact O-N 3.36Å; G405-A407 VanDerWaalsContact O-N 3.16Å; G405-Y408 WeakPolarHBondContact O-CA 3.48Å; G405-Y408 WeakPolarHBondContact O-CB 3.42Å; G405-Y408 PolarHBondContact O-N 2.89Å; G405-N409 PolarHBondContact O-N 3.01Å
406	D	97.5	Very high	96.6	Very high	63 Å²	63	18.7 Å²	18.7	34%	0.337	11%	0.109	S	C	.	.	G	3₁₀ helix	trans	-67.5	-15	179.1	-77.1	3.1	0	0	0	112.8	G284 C285 R290 Y408 M410 R411	G284-D406 CarbonylContact O-C 3.54Å; C285-D406 HydrophobicContact CB-CB 4.15Å; R290-D406 PolarHBondContact NH2-O 3.09Å; D406-Y408 PolarHBondContact O-N 3.14Å; D406-M410 HydrophobicContact CB-CG 3.78Å; D406-M410 HydrophobicContact CB-SD 4.24Å; D406-M410 WeakPolarHBondContact O-CG 3.3Å; D406-R411 IonicContact OD1-NH1 3.97Å
407	A	97.4	Very high	96.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-64.4	-30.3	167.9	0	0	0	0	0	111.4	D283 G284 R290 L403 L404 G405	D283-A407 WeakPolarHBondContact OD1-CB 3.46Å; G284-A407 VanDerWaalsContact O-CA 3.25Å; G284-A407 WeakPolarHBondContact O-CA 3.18Å; G284-A407 PolarHBondContact O-N 3.46Å; R290-A407 PolarHBondContact NE-O 3.05Å; L403-A407 HydrophobicContact CD1-CB 3.59Å; L403-A407 HydrophobicContact CG-CB 4.34Å; L404-A407 WeakPolarHBondContact O-CB 3.17Å; G405-A407 PolarHBondContact O-N 3.36Å; G405-A407 VanDerWaalsContact O-N 3.16Å
408	Y	97.4	Very high	97	Very high	5 Å²	5	14.9 Å²	14.9	2%	0.02	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-48.5	-176.4	177.8	-118.6	0	0	0	114.3	L391 P393 A394 V396 L403 G405 D406 F452	L391-Y408 WeakPolarHBondContact CD2-O 3.38Å; P393-Y408 HydrophobicContact CB-CE1 3.9Å; A394-Y408 WeakPolarHBondContact O-CE2 3.23Å; A394-Y408 PolarHBondContact O-OH 3.39Å; V396-Y408 HydrophobicContact CG2-CD2 4.15Å; V396-Y408 HydrophobicContact CG2-CE2 3.87Å; L403-Y408 HydrophobicContact CB-CD2 4.27Å; L403-Y408 HydrophobicContact CD2-CD2 4.3Å; L403-Y408 HydrophobicContact CG-CD2 4.29Å; L403-Y408 WeakPolarHBondContact O-CB 3.44Å; L403-Y408 VanDerWaalsContact O-CD2 3.31Å; L403-Y408 WeakPolarHBondContact O-CD2 3.49Å; L403-Y408 VanDerWaalsContact O-CG 3.26Å; G405-Y408 WeakPolarHBondContact O-CA 3.48Å; G405-Y408 WeakPolarHBondContact O-CB 3.42Å; G405-Y408 PolarHBondContact O-N 2.89Å; D406-Y408 PolarHBondContact O-N 3.14Å; Y408-F452 HydrophobicContact CE1-CE1 4.25Å
409	N	97.6	Very high	97.2	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.005	9%	0.088	C	C	.	.			trans	-149.4	119.5	-169.4	173.2	-145.9	0	0	0	110.4	L391 P393 G405 R411 R456 N465	L391-N409 WeakPolarHBondContact O-CA 3.37Å; L391-N409 PolarHBondContact O-ND2 3.4Å; P393-N409 HydrophobicContact CB-CB 4.26Å; P393-N409 WeakPolarHBondContact CD-ND2 3.22Å; G405-N409 PolarHBondContact O-N 3.01Å; N409-R411 PolarHBondContact O-NH1 3.45Å; N409-R411 PolarHBondContact OD1-NH2 3.01Å; N409-R456 PolarHBondContact OD1-NH2 3.42Å; N409-N465 PolarHBondContact ND2-ND2 3.24Å; N409-N465 PolarHBondContact OD1-ND2 2.57Å
410	M	97.6	Very high	97.3	Very high	5 Å²	5	11 Å²	11	3%	0.025	7%	0.072	C	C	.	.	B	Isolated β-bridge	trans	-121.7	148.8	-179.3	-62.5	-177.1	-71.3	0	0	110.9	C285 A298 F390 L391 D406	C285-M410 HydrophobicContact CB-SD 3.49Å; C285-M410 WeakPolarHBondContact CB-SD 3.37Å; A298-M410 HydrophobicContact CB-CE 3.4Å; F390-M410 WeakPolarHBondContact CD2-O 3.28Å; L391-M410 CarbonylContact C-O 3.6Å; L391-M410 HydrophobicContact CB-CB 3.92Å; L391-M410 HydrophobicContact CB-CE 3.67Å; L391-M410 HydrophobicContact CB-CG 4.31Å; L391-M410 HydrophobicContact CD2-CE 3.96Å; L391-M410 HydrophobicContact CG-CE 4.47Å; L391-M410 PolarHBondContact N-O 2.85Å; L391-M410 PolarHBondContact O-N 3.05Å; L391-M410 VanDerWaalsContact O-O 3.1Å; D406-M410 HydrophobicContact CB-CG 3.78Å; D406-M410 HydrophobicContact CB-SD 4.24Å; D406-M410 WeakPolarHBondContact O-CG 3.3Å
411	R	97.4	Very high	97.3	Very high	16 Å²	16	11 Å²	11	6%	0.06	7%	0.072	C	C	.	.			trans	-136.5	163.7	175.2	70.6	-74.6	-64.3	160.4	3.4	109.3	S389 D406 N409 V421 V464 N465 A468	S389-R411 CarbonylContact O-C 3.5Å; S389-R411 VanDerWaalsContact O-C 3.31Å; D406-R411 IonicContact OD1-NH1 3.97Å; N409-R411 PolarHBondContact O-NH1 3.45Å; N409-R411 PolarHBondContact OD1-NH2 3.01Å; R411-V421 VanDerWaalsContact NH2-CG1 3.29Å; R411-V464 HydrophobicContact CG-CG1 4.17Å; R411-N465 PolarHBondContact NE-OD1 2.99Å; R411-N465 PolarHBondContact NH2-OD1 3.1Å; R411-A468 HydrophobicContact CB-CB 3.96Å; R411-A468 HydrophobicContact CG-CB 3.87Å
412	H	97.6	Very high	97.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	8%	0.075	C	C	.	.			trans	-54.5	132.4	175.3	-163	-82.9	0	0	0	110.8	S302 F304 D345 A388 L414 A468 Q469 Y472	S302-H412 PolarHBondContact OG-NE2 2.65Å; F304-H412 AromaticContact CE1-CE1 3.81Å; F304-H412 AromaticContact CZ-CE1 3.96Å; D345-H412 IonicContact OD1-CE1 3.15Å; D345-H412 IonicContact OD1-NE2 3.81Å; A388-H412 WeakPolarHBondContact CB-NE2 3.44Å; H412-L414 WeakPolarHBondContact ND1-CB 3.47Å; H412-L414 PolarHBondContact ND1-N 2.9Å; H412-L414 VanDerWaalsContact ND1-N 3.15Å; H412-L414 PolarHBondContact O-N 3.28Å; H412-A468 HydrophobicContact CB-CB 4.37Å; H412-Q469 VanDerWaalsContact N-NE2 3.11Å; H412-Y472 HydrophobicContact CB-CG 4.45Å; H412-Y472 AromaticContact CD2-CD1 3.65Å; H412-Y472 AromaticContact CD2-CD2 3.6Å; H412-Y472 AromaticContact CD2-CE1 3.96Å; H412-Y472 AromaticContact CD2-CE2 3.91Å; H412-Y472 AromaticContact CD2-CG 3.46Å; H412-Y472 VanDerWaalsContact CD2-CG 3.46Å; H412-Y472 AromaticContact CE1-CD2 3.3Å; H412-Y472 WeakPolarHBondContact CE1-CD2 3.4Å; H412-Y472 AromaticContact CE1-CE2 3.71Å; H412-Y472 AromaticContact CE1-CG 3.86Å; H412-Y472 AromaticContact CG-CD2 3.93Å; H412-Y472 AromaticContact CG-CG 3.66Å; H412-Y472 AromaticContact ND1-CD2 3.73Å; H412-Y472 AromaticContact ND1-CG 3.88Å; H412-Y472 AromaticContact NE2-CD2 3.22Å; H412-Y472 WeakPolarHBondContact NE2-CD2 3.41Å; H412-Y472 AromaticContact NE2-CE2 3.28Å; H412-Y472 VanDerWaalsContact NE2-CE2 3.28Å; H412-Y472 WeakPolarHBondContact NE2-CE2 3.15Å; H412-Y472 AromaticContact NE2-CG 3.63Å; H412-Y472 AromaticContact NE2-CZ 3.74Å
413	P	96.6	Very high	97.4	Very high	42 Å²	42	11.2 Å²	11.2	27%	0.273	7%	0.074	S	C	.	.	G	3₁₀ helix	trans	-71.9	-6.2	-175.6	27.2	-33.6	0	0	0	114.4	F304 A388 T415 G416	F304-P413 HydrophobicContact CD2-CB 4.1Å; F304-P413 HydrophobicContact CD2-CG 3.6Å; F304-P413 HydrophobicContact CE2-CB 3.73Å; F304-P413 HydrophobicContact CE2-CG 3.44Å; F304-P413 VanDerWaalsContact CE2-CG 3.44Å; F304-P413 HydrophobicContact CG-CG 4.31Å; F304-P413 HydrophobicContact CZ-CG 3.99Å; A388-P413 HydrophobicContact CB-CG 3.95Å; P413-T415 PolarHBondContact O-N 2.74Å; P413-T415 VanDerWaalsContact O-N 3.08Å; P413-G416 PolarHBondContact O-N 3.3Å
414	L	95.8	Very high	97.4	Very high	13 Å²	13	13 Å²	13	7%	0.068	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-47.9	-38.8	-179.3	176.1	68.9	0	0	0	113.8	L322 P329 L331 H412 L471 F475	L322-L414 HydrophobicContact CD1-CD1 4.15Å; P329-L414 HydrophobicContact CB-CD1 4.3Å; P329-L414 HydrophobicContact CG-CD1 3.95Å; L331-L414 HydrophobicContact CD1-CD1 4.21Å; L331-L414 HydrophobicContact CD2-CD1 4.21Å; L331-L414 HydrophobicContact CG-CD1 4.19Å; H412-L414 WeakPolarHBondContact ND1-CB 3.47Å; H412-L414 PolarHBondContact ND1-N 2.9Å; H412-L414 VanDerWaalsContact ND1-N 3.15Å; H412-L414 PolarHBondContact O-N 3.28Å; L414-L471 HydrophobicContact CD2-CB 4.2Å; L414-F475 HydrophobicContact CD2-CD2 4.03Å
415	T	94.9	Very high	97.4	Very high	7 Å²	7	13 Å²	13	4%	0.043	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-94.1	0.3	-177.4	57.6	0	0	0	0	113.8	Q167 P413 G417 L467 A468 L471 L507	Q167-T415 PolarHBondContact NE2-O 3.25Å; P413-T415 PolarHBondContact O-N 2.74Å; P413-T415 VanDerWaalsContact O-N 3.08Å; T415-G417 PolarHBondContact O-N 2.73Å; T415-G417 VanDerWaalsContact O-N 3.14Å; T415-L467 HydrophobicContact CG2-CG 4.5Å; T415-A468 HydrophobicContact CG2-CB 4.22Å; T415-A468 WeakPolarHBondContact OG1-CB 3.26Å; T415-L471 HydrophobicContact CG2-CD1 4.1Å; T415-L507 HydrophobicContact CG2-CD1 3.69Å
416	G	93.7	Very high	97.4	Very high	22 Å²	22	12.6 Å²	12.6	23%	0.227	8%	0.079	C	C	.	.			trans	61.9	20.7	179	0	0	0	0	0	115.3	P413	P413-G416 PolarHBondContact O-N 3.3Å
417	G	96	Very high	97.5	Very high	2 Å²	2	11.4 Å²	11.4	2%	0.021	8%	0.075	C	C	.	.			trans	-86.4	-6.5	-170.3	0	0	0	0	0	116.6	T415 M419 S420 V421	T415-G417 PolarHBondContact O-N 2.73Å; T415-G417 VanDerWaalsContact O-N 3.14Å; G417-M419 PolarHBondContact O-N 2.94Å; G417-S420 WeakPolarHBondContact O-CB 3.48Å; G417-S420 PolarHBondContact O-N 2.91Å; G417-V421 WeakPolarHBondContact O-CG2 3.48Å; G417-V421 PolarHBondContact O-N 2.7Å
418	G	97.6	Very high	97.5	Very high	20 Å²	20	12.4 Å²	12.4	21%	0.206	8%	0.081	C	C	.	.	H	α-helix	trans	-59.8	-48.7	-172	0	0	0	0	0	113.8	S420 V421 A422	G418-S420 VanDerWaalsContact C-N 3.35Å; G418-S420 PolarHBondContact O-N 2.82Å; G418-V421 PolarHBondContact O-N 2.83Å; G418-A422 PolarHBondContact O-N 2.94Å
419	M	98.3	Very high	97.6	Very high	15 Å²	15	12.4 Å²	12.4	7%	0.074	8%	0.081	C	C	.	.	H	α-helix	trans	-65.2	-39.3	177.2	-62	-167.8	-68.1	0	0	111.8	V132 G163 L165 L166 F222 F227 G417 V421 A422 L423	V132-M419 HydrophobicContact CG1-CB 4.35Å; V132-M419 HydrophobicContact CG1-CG 4.38Å; V132-M419 HydrophobicContact CG2-CG 4.09Å; V132-M419 HydrophobicContact CG2-SD 3.96Å; G163-M419 WeakPolarHBondContact O-CE 3.19Å; G163-M419 VanDerWaalsContact O-SD 3.37Å; L165-M419 WeakPolarHBondContact O-CE 3.34Å; L166-M419 HydrophobicContact CB-CE 4Å; L166-M419 HydrophobicContact CD1-CB 3.82Å; L166-M419 HydrophobicContact CD1-CE 4.22Å; F222-M419 HydrophobicContact CE2-CE 4.2Å; F222-M419 HydrophobicContact CZ-CE 4Å; F227-M419 HydrophobicContact CD1-SD 4.12Å; F227-M419 HydrophobicContact CE1-SD 3.85Å; G417-M419 PolarHBondContact O-N 2.94Å; M419-V421 VanDerWaalsContact C-N 3.31Å; M419-V421 PolarHBondContact O-N 2.88Å; M419-A422 WeakPolarHBondContact O-CB 3.25Å; M419-A422 PolarHBondContact O-N 3.03Å; M419-L423 WeakPolarHBondContact O-CG 3.39Å; M419-L423 PolarHBondContact O-N 2.69Å
420	S	98.4	Very high	97.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61	-41.3	177	-53.1	0	0	0	0	111.7	G170 G417 G418 N424	G170-S420 WeakPolarHBondContact CA-OG 3.3Å; G417-S420 WeakPolarHBondContact O-CB 3.48Å; G417-S420 PolarHBondContact O-N 2.91Å; G418-S420 VanDerWaalsContact C-N 3.35Å; G418-S420 PolarHBondContact O-N 2.82Å; S420-N424 WeakPolarHBondContact O-CB 3.38Å; S420-N424 PolarHBondContact O-N 2.64Å; S420-N424 PolarHBondContact O-ND2 2.75Å
421	V	98.6	Very high	97.6	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.018	10%	0.104	C	C	.	.	H	α-helix	trans	-66.7	-43.6	175.4	174.3	0	0	0	0	111	R411 G417 G418 M419 L423 N424 D425 V464	R411-V421 VanDerWaalsContact NH2-CG1 3.29Å; G417-V421 WeakPolarHBondContact O-CG2 3.48Å; G417-V421 PolarHBondContact O-N 2.7Å; G418-V421 PolarHBondContact O-N 2.83Å; M419-V421 VanDerWaalsContact C-N 3.31Å; M419-V421 PolarHBondContact O-N 2.88Å; V421-L423 VanDerWaalsContact C-N 3.35Å; V421-L423 PolarHBondContact O-N 2.81Å; V421-N424 PolarHBondContact O-N 3.05Å; V421-D425 VanDerWaalsContact O-CB 3.29Å; V421-D425 WeakPolarHBondContact O-CB 3.23Å; V421-D425 VanDerWaalsContact O-CG 3.25Å; V421-D425 PolarHBondContact O-N 2.9Å; V421-V464 HydrophobicContact CG2-CB 3.78Å; V421-V464 HydrophobicContact CG2-CG1 3.71Å; V421-V464 HydrophobicContact CG2-CG2 3.95Å
422	A	98.6	Very high	97.7	Very high	7 Å²	7	15.6 Å²	15.6	6%	0.058	10%	0.104	C	C	.	.	H	α-helix	trans	-57.4	-46.6	177.2	0	0	0	0	0	112.2	L133 G418 M419 D425 V426	L133-A422 HydrophobicContact CB-CB 4.24Å; L133-A422 HydrophobicContact CD1-CB 4.16Å; G418-A422 PolarHBondContact O-N 2.94Å; M419-A422 WeakPolarHBondContact O-CB 3.25Å; M419-A422 PolarHBondContact O-N 3.03Å; A422-D425 PolarHBondContact O-N 3.47Å; A422-V426 WeakPolarHBondContact O-CG2 3.35Å; A422-V426 PolarHBondContact O-N 2.92Å
423	L	98.8	Very high	97.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-69.6	-41.6	-179.4	-66.4	168.3	0	0	0	112.4	V132 A136 L166 G170 A173 L174 L177 M419 V421 D425 V426 C427	V132-L423 HydrophobicContact CG1-CD2 4.33Å; V132-L423 HydrophobicContact CG1-CG 4.36Å; A136-L423 HydrophobicContact CB-CD2 3.95Å; L166-L423 HydrophobicContact CD1-CD1 3.94Å; G170-L423 WeakPolarHBondContact O-CD1 3.48Å; A173-L423 HydrophobicContact CB-CB 3.91Å; L174-L423 HydrophobicContact CB-CD1 4.16Å; L174-L423 HydrophobicContact CD1-CD1 4.16Å; L174-L423 HydrophobicContact CD1-CD2 3.88Å; L177-L423 HydrophobicContact CD1-CD2 4.21Å; M419-L423 WeakPolarHBondContact O-CG 3.39Å; M419-L423 PolarHBondContact O-N 2.69Å; V421-L423 VanDerWaalsContact C-N 3.35Å; V421-L423 PolarHBondContact O-N 2.81Å; L423-D425 VanDerWaalsContact C-N 3.33Å; L423-D425 PolarHBondContact O-N 2.67Å; L423-V426 WeakPolarHBondContact O-CB 3.49Å; L423-V426 PolarHBondContact O-N 3.47Å; L423-C427 PolarHBondContact O-N 2.91Å; L423-C427 PolarHBondContact O-SG 3.12Å; L423-C427 VanDerWaalsContact O-SG 3.36Å
424	N	98.6	Very high	97.7	Very high	41 Å²	41	20.3 Å²	20.3	22%	0.219	12%	0.117	C	C	.	.	H	α-helix	trans	-66.2	-35.9	175	-80.4	-84.5	0	0	0	112	S420 V421 V426 C427 I428	S420-N424 WeakPolarHBondContact O-CB 3.38Å; S420-N424 PolarHBondContact O-N 2.64Å; S420-N424 PolarHBondContact O-ND2 2.75Å; V421-N424 PolarHBondContact O-N 3.05Å; N424-V426 VanDerWaalsContact C-N 3.31Å; N424-V426 PolarHBondContact O-N 2.71Å; N424-C427 WeakPolarHBondContact O-CB 3.46Å; N424-C427 PolarHBondContact O-N 2.85Å; N424-I428 PolarHBondContact O-N 3.22Å; N424-I428 VanDerWaalsContact O-N 3.14Å
425	D	98.7	Very high	97.6	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.011	15%	0.147	C	C	.	.	H	α-helix	trans	-63.1	-38.5	172.5	-76.5	-10.5	0	0	0	110.9	V421 A422 L423 I428 W429 F452 R456 H460	V421-D425 VanDerWaalsContact O-CB 3.29Å; V421-D425 WeakPolarHBondContact O-CB 3.23Å; V421-D425 VanDerWaalsContact O-CG 3.25Å; V421-D425 PolarHBondContact O-N 2.9Å; A422-D425 PolarHBondContact O-N 3.47Å; L423-D425 VanDerWaalsContact C-N 3.33Å; L423-D425 PolarHBondContact O-N 2.67Å; D425-I428 PolarHBondContact O-N 2.98Å; D425-W429 VanDerWaalsContact O-CD1 3.22Å; D425-W429 PolarHBondContact O-N 2.78Å; D425-F452 HydrophobicContact CB-CE2 3.78Å; D425-F452 HydrophobicContact CB-CZ 4.04Å; D425-R456 IonicContact OD1-NE 3.87Å; D425-R456 IonicContact OD2-NE 3.94Å; D425-R456 IonicContact OD2-NH2 3.82Å; D425-H460 IonicContact OD1-CD2 3.48Å; D425-H460 IonicContact OD1-CE1 3.48Å; D425-H460 IonicContact OD1-NE2 3.53Å; D425-H460 PolarHBondContact OD1-NE2 2.99Å
426	V	98.8	Very high	97.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.4	-41.3	173.3	172.7	0	0	0	0	111.5	L133 M137 V140 L177 A422 L423 N424 I428 W429 R430	L133-V426 HydrophobicContact CD1-CG2 4.43Å; L133-V426 HydrophobicContact CG-CG2 3.97Å; M137-V426 HydrophobicContact CB-CG2 4.28Å; M137-V426 HydrophobicContact CE-CG2 4.47Å; M137-V426 HydrophobicContact SD-CG1 4.31Å; V140-V426 HydrophobicContact CG2-CG1 3.67Å; L177-V426 HydrophobicContact CD1-CB 4.09Å; L177-V426 HydrophobicContact CD1-CG1 3.72Å; L177-V426 HydrophobicContact CD2-CG1 4.04Å; A422-V426 WeakPolarHBondContact O-CG2 3.35Å; A422-V426 PolarHBondContact O-N 2.92Å; L423-V426 WeakPolarHBondContact O-CB 3.49Å; L423-V426 PolarHBondContact O-N 3.47Å; N424-V426 VanDerWaalsContact C-N 3.31Å; N424-V426 PolarHBondContact O-N 2.71Å; V426-I428 VanDerWaalsContact C-N 3.32Å; V426-I428 PolarHBondContact O-N 3.2Å; V426-W429 PolarHBondContact O-N 3.29Å; V426-R430 VanDerWaalsContact O-CB 3.3Å; V426-R430 WeakPolarHBondContact O-CB 3.41Å; V426-R430 PolarHBondContact O-N 3.14Å
427	C	98.6	Very high	97.8	Very high	38 Å²	38	30.4 Å²	30.4	26%	0.257	17%	0.172	S	C	.	.	H	α-helix	trans	-55.8	-46.8	174.7	-66.3	0	0	0	0	112	L177 L423 N424 G431	L177-C427 HydrophobicContact CD2-CB 4.4Å; L177-C427 VanDerWaalsContact CD2-SG 3.59Å; L423-C427 PolarHBondContact O-N 2.91Å; L423-C427 PolarHBondContact O-SG 3.12Å; L423-C427 VanDerWaalsContact O-SG 3.36Å; N424-C427 WeakPolarHBondContact O-CB 3.46Å; N424-C427 PolarHBondContact O-N 2.85Å; C427-G431 PolarHBondContact O-N 3.49Å
428	I	98.6	Very high	97.8	Very high	22 Å²	22	34 Å²	34	11%	0.113	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-50.6	178.3	-64.4	170.8	0	0	0	110.3	N424 D425 V426 R430 G431 L432 F452 E455 R456	N424-I428 PolarHBondContact O-N 3.22Å; N424-I428 VanDerWaalsContact O-N 3.14Å; D425-I428 PolarHBondContact O-N 2.98Å; V426-I428 VanDerWaalsContact C-N 3.32Å; V426-I428 PolarHBondContact O-N 3.2Å; I428-R430 VanDerWaalsContact C-N 3.33Å; I428-R430 PolarHBondContact O-N 3.33Å; I428-G431 PolarHBondContact O-N 3.24Å; I428-G431 VanDerWaalsContact O-N 3.13Å; I428-L432 HydrophobicContact CG2-CD1 3.71Å; I428-L432 HydrophobicContact CG2-CG 4.21Å; I428-L432 WeakPolarHBondContact O-CG 3.45Å; I428-L432 PolarHBondContact O-N 2.98Å; I428-F452 HydrophobicContact CB-CD2 4.14Å; I428-F452 HydrophobicContact CG2-CB 4.35Å; I428-F452 HydrophobicContact CG2-CD2 3.74Å; I428-E455 HydrophobicContact CD1-CB 3.9Å; I428-E455 WeakPolarHBondContact CG2-OE2 3.35Å; I428-R456 HydrophobicContact CD1-CB 4.33Å
429	W	98.6	Very high	97.7	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.015	18%	0.182	C	C	.	.	H	α-helix	trans	-62.6	-37.8	-178.1	-84.1	113.8	0	0	0	113.3	M137 L402 L404 D425 V426 G431 L432 L433 A448 K449 F452	M137-W429 HydrophobicContact CE-CB 3.77Å; M137-W429 HydrophobicContact CE-CG 4.13Å; M137-W429 HydrophobicContact SD-CB 4.48Å; L402-W429 HydrophobicContact CD1-CD2 3.87Å; L402-W429 HydrophobicContact CD1-CE3 3.9Å; L402-W429 HydrophobicContact CD1-CH2 4.07Å; L402-W429 HydrophobicContact CD1-CZ2 4.04Å; L402-W429 HydrophobicContact CD1-CZ3 3.99Å; L402-W429 HydrophobicContact CD2-CH2 3.57Å; L402-W429 HydrophobicContact CD2-CZ2 3.76Å; L402-W429 HydrophobicContact CD2-CZ3 4.14Å; L402-W429 HydrophobicContact CG-CH2 4.5Å; L404-W429 HydrophobicContact CD1-CG 4.34Å; D425-W429 VanDerWaalsContact O-CD1 3.22Å; D425-W429 PolarHBondContact O-N 2.78Å; V426-W429 PolarHBondContact O-N 3.29Å; W429-G431 VanDerWaalsContact C-N 3.34Å; W429-G431 PolarHBondContact O-N 3.27Å; W429-L432 HydrophobicContact CD2-CD1 4.49Å; W429-L432 HydrophobicContact CE3-CB 4.29Å; W429-L432 HydrophobicContact CE3-CD1 4.07Å; W429-L432 HydrophobicContact CZ3-CD1 4.19Å; W429-L432 PolarHBondContact O-N 2.81Å; W429-L433 HydrophobicContact CE3-CD1 4.4Å; W429-L433 HydrophobicContact CE3-CD2 4.41Å; W429-L433 HydrophobicContact CE3-CG 4.15Å; W429-L433 WeakPolarHBondContact O-CB 3.45Å; W429-L433 VanDerWaalsContact O-CG 3.29Å; W429-L433 WeakPolarHBondContact O-CG 3.3Å; W429-L433 PolarHBondContact O-N 3.03Å; W429-A448 HydrophobicContact CH2-CB 4.49Å; W429-A448 HydrophobicContact CZ3-CB 3.94Å; W429-K449 HydrophobicContact CH2-CB 4.37Å; W429-K449 HydrophobicContact CH2-CG 3.73Å; W429-K449 HydrophobicContact CZ2-CG 4.36Å; W429-F452 AromaticContact CD1-CD2 3.65Å; W429-F452 AromaticContact CD1-CE2 3.5Å; W429-F452 HydrophobicContact CD2-CD2 4.32Å; W429-F452 HydrophobicContact CD2-CG 4.46Å; W429-F452 AromaticContact CE2-CD1 3.86Å; W429-F452 AromaticContact CE2-CD2 3.66Å; W429-F452 AromaticContact CE2-CG 3.54Å; W429-F452 HydrophobicContact CG-CD2 4.31Å; W429-F452 HydrophobicContact CH2-CB 4.16Å; W429-F452 HydrophobicContact CH2-CG 4.47Å; W429-F452 HydrophobicContact CZ2-CB 3.7Å; W429-F452 AromaticContact CZ2-CD1 3.63Å; W429-F452 HydrophobicContact CZ2-CD1 3.63Å; W429-F452 HydrophobicContact CZ2-CD2 4.17Å; W429-F452 HydrophobicContact CZ2-CE1 4.27Å; W429-F452 AromaticContact CZ2-CG 3.55Å; W429-F452 HydrophobicContact CZ2-CG 3.55Å; W429-F452 AromaticContact NE1-CD1 3.68Å; W429-F452 AromaticContact NE1-CD2 3.18Å; W429-F452 AromaticContact NE1-CE1 3.63Å; W429-F452 AromaticContact NE1-CE2 3.14Å; W429-F452 AromaticContact NE1-CG 3.46Å; W429-F452 AromaticContact NE1-CZ 3.36Å
430	R	98.3	Very high	97.6	Very high	40 Å²	40	34.2 Å²	34.2	15%	0.151	19%	0.185	C	C	.	.	H	α-helix	trans	-56.4	-49.6	172.5	-172	-171.6	-174.5	-180	5.5	110.9	V140 D144 V426 I428 L432 R434	V140-R430 HydrophobicContact CB-CG 4.46Å; V140-R430 HydrophobicContact CG2-CB 4.43Å; V140-R430 HydrophobicContact CG2-CG 4.34Å; D144-R430 IonicContact OD1-CZ 3.49Å; D144-R430 IonicContact OD1-NE 2.77Å; D144-R430 PolarHBondContact OD1-NE 3.24Å; D144-R430 IonicContact OD1-NH2 2.74Å; D144-R430 PolarHBondContact OD1-NH2 3.12Å; D144-R430 WeakPolarHBondContact OD2-CG 3.07Å; D144-R430 IonicContact OD2-NE 2.6Å; D144-R430 PolarHBondContact OD2-NE 3.34Å; V426-R430 VanDerWaalsContact O-CB 3.3Å; V426-R430 WeakPolarHBondContact O-CB 3.41Å; V426-R430 PolarHBondContact O-N 3.14Å; I428-R430 VanDerWaalsContact C-N 3.33Å; I428-R430 PolarHBondContact O-N 3.33Å; R430-L432 VanDerWaalsContact C-N 3.33Å; R430-L432 PolarHBondContact O-N 3.3Å; R430-R434 VanDerWaalsContact CZ-NH2 3.25Å; R430-R434 VanDerWaalsContact O-CG 3.3Å; R430-R434 WeakPolarHBondContact O-CG 3.44Å; R430-R434 PolarHBondContact O-N 3.12Å
431	G	97.9	Very high	97.4	Very high	36 Å²	36	37.7 Å²	37.7	37%	0.371	20%	0.203	S	C	.	.	H	α-helix	trans	-61.7	-37.6	177.6	0	0	0	0	0	113.5	C427 I428 W429 N435	C427-G431 PolarHBondContact O-N 3.49Å; I428-G431 PolarHBondContact O-N 3.24Å; I428-G431 VanDerWaalsContact O-N 3.13Å; W429-G431 VanDerWaalsContact C-N 3.34Å; W429-G431 PolarHBondContact O-N 3.27Å; G431-N435 PolarHBondContact O-ND2 2.92Å
432	L	98.3	Very high	97.1	Very high	13 Å²	13	39.8 Å²	39.8	7%	0.068	22%	0.215	C	C	.	.	H	α-helix	trans	-72.2	-47.1	178.4	-65.4	172.8	0	0	0	112.5	I428 W429 R430 R434 N435 A448 K451 F452	I428-L432 HydrophobicContact CG2-CD1 3.71Å; I428-L432 HydrophobicContact CG2-CG 4.21Å; I428-L432 WeakPolarHBondContact O-CG 3.45Å; I428-L432 PolarHBondContact O-N 2.98Å; W429-L432 HydrophobicContact CD2-CD1 4.49Å; W429-L432 HydrophobicContact CE3-CB 4.29Å; W429-L432 HydrophobicContact CE3-CD1 4.07Å; W429-L432 HydrophobicContact CZ3-CD1 4.19Å; W429-L432 PolarHBondContact O-N 2.81Å; R430-L432 VanDerWaalsContact C-N 3.33Å; R430-L432 PolarHBondContact O-N 3.3Å; L432-R434 VanDerWaalsContact C-N 3.34Å; L432-R434 PolarHBondContact O-N 3.19Å; L432-N435 PolarHBondContact O-N 3.45Å; L432-N435 VanDerWaalsContact O-N 3.16Å; L432-A448 HydrophobicContact CB-CB 4.12Å; L432-A448 HydrophobicContact CD1-CB 4.22Å; L432-A448 WeakPolarHBondContact CD1-O 3.46Å; L432-K451 HydrophobicContact CD2-CB 4.06Å; L432-K451 HydrophobicContact CD2-CD 3.52Å; L432-K451 HydrophobicContact CD2-CG 3.82Å; L432-F452 HydrophobicContact CD1-CB 3.77Å
433	L	98.1	Very high	96.9	Very high	3 Å²	3	44 Å²	44	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-73.3	-23	-174.1	-67.6	173	0	0	0	113.6	L141 R146 L278 W429 N435 I436 L439 L445	L141-L433 HydrophobicContact CD1-CD1 4.35Å; L141-L433 HydrophobicContact CD2-CB 4.33Å; L141-L433 HydrophobicContact CD2-CD1 3.78Å; R146-L433 PolarHBondContact NH2-O 2.85Å; L278-L433 HydrophobicContact CD2-CD1 4.33Å; L278-L433 HydrophobicContact CD2-CD2 4.11Å; W429-L433 HydrophobicContact CE3-CD1 4.4Å; W429-L433 HydrophobicContact CE3-CD2 4.41Å; W429-L433 HydrophobicContact CE3-CG 4.15Å; W429-L433 WeakPolarHBondContact O-CB 3.45Å; W429-L433 VanDerWaalsContact O-CG 3.29Å; W429-L433 WeakPolarHBondContact O-CG 3.3Å; W429-L433 PolarHBondContact O-N 3.03Å; L433-N435 PolarHBondContact O-N 3.42Å; L433-I436 PolarHBondContact O-N 3.32Å; L433-L439 HydrophobicContact CD2-CD2 3.92Å; L433-L445 HydrophobicContact CD2-CD2 3.92Å
434	R	96.3	Very high	96.8	Very high	139 Å²	139	45 Å²	45	53%	0.525	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.1	168.6	-80.8	174	175	-162	-12.3	112.8	D144 R430 L432 I436	D144-R434 HydrophobicContact CB-CG 4.45Å; D144-R434 VanDerWaalsContact CG-NE 3.28Å; D144-R434 IonicContact OD1-CZ 3.82Å; D144-R434 IonicContact OD1-NE 3.86Å; D144-R434 PolarHBondContact OD1-NE 3.3Å; D144-R434 IonicContact OD1-NH2 3.56Å; D144-R434 PolarHBondContact OD1-NH2 3.49Å; D144-R434 WeakPolarHBondContact OD2-CG 3.32Å; D144-R434 IonicContact OD2-CZ 3.29Å; D144-R434 IonicContact OD2-NE 2.68Å; D144-R434 PolarHBondContact OD2-NE 3.31Å; D144-R434 IonicContact OD2-NH2 2.74Å; D144-R434 PolarHBondContact OD2-NH2 2.89Å; R430-R434 VanDerWaalsContact CZ-NH2 3.25Å; R430-R434 VanDerWaalsContact O-CG 3.3Å; R430-R434 WeakPolarHBondContact O-CG 3.44Å; R430-R434 PolarHBondContact O-N 3.12Å; L432-R434 VanDerWaalsContact C-N 3.34Å; L432-R434 PolarHBondContact O-N 3.19Å; R434-I436 VanDerWaalsContact C-N 3.33Å
435	N	94.9	Very high	96.7	Very high	129 Å²	129	43.3 Å²	43.3	69%	0.69	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	5.9	-177.6	-64	-55.5	0	0	0	113.5	G431 L432 L433	G431-N435 PolarHBondContact O-ND2 2.92Å; L432-N435 PolarHBondContact O-N 3.45Å; L432-N435 VanDerWaalsContact O-N 3.16Å; L433-N435 PolarHBondContact O-N 3.42Å
436	I	97.3	Very high	96.5	Very high	15 Å²	15	46.5 Å²	46.5	8%	0.077	26%	0.256	C	S	.	.			trans	-125	79.3	-178.5	-55.4	176.9	0	0	0	108.7	R146 L433 R434 D438 L439 A444 L445 A448	R146-I436 PolarHBondContact NH2-O 2.91Å; L433-I436 PolarHBondContact O-N 3.32Å; R434-I436 VanDerWaalsContact C-N 3.33Å; I436-D438 VanDerWaalsContact C-N 3.28Å; I436-D438 WeakPolarHBondContact CG2-O 3.23Å; I436-D438 PolarHBondContact O-N 2.9Å; I436-L439 HydrophobicContact CG2-CD2 4.31Å; I436-A444 HydrophobicContact CD1-CB 4.1Å; I436-A444 HydrophobicContact CG1-CB 4.16Å; I436-A444 HydrophobicContact CG2-CB 3.99Å; I436-L445 HydrophobicContact CD1-CD2 4.31Å; I436-A448 HydrophobicContact CD1-CB 3.77Å
437	P	94.7	Very high	96.4	Very high	110 Å²	110	52.7 Å²	52.7	71%	0.714	28%	0.284	S	S	*	.	S	Bend	trans	-56.7	-42.5	-175.6	-25.4	34.6	0	0	0	112.7	R146	R146-P437 PolarHBondContact NH1-O 3.47Å
438	D	95.9	Very high	96.3	Very high	77 Å²	77	51.2 Å²	51.2	41%	0.412	28%	0.275	S	S	.	.			trans	-99.4	108	176.5	-178.9	16.9	0	0	0	111.5	I436 Y440 N441	I436-D438 VanDerWaalsContact C-N 3.28Å; I436-D438 WeakPolarHBondContact CG2-O 3.23Å; I436-D438 PolarHBondContact O-N 2.9Å; D438-Y440 PolarHBondContact O-N 3.03Å; D438-Y440 VanDerWaalsContact OD1-CB 3.26Å; D438-Y440 WeakPolarHBondContact OD1-CB 3.29Å; D438-Y440 WeakPolarHBondContact OD1-CD2 3.43Å; D438-Y440 PolarHBondContact OD1-N 3.17Å; D438-N441 WeakPolarHBondContact O-CB 3.34Å; D438-N441 PolarHBondContact O-N 3.14Å
439	L	96.4	Very high	96.2	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.037	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-8.5	178	-60.2	-178.4	0	0	0	113	D124 V125 L278 L433 I436 N441 L445	D124-L439 HydrophobicContact CB-CD1 4.26Å; V125-L439 HydrophobicContact CG2-CD1 3.52Å; L278-L439 HydrophobicContact CB-CB 4.47Å; L278-L439 HydrophobicContact CB-CD1 4.04Å; L433-L439 HydrophobicContact CD2-CD2 3.92Å; I436-L439 HydrophobicContact CG2-CD2 4.31Å; L439-N441 PolarHBondContact O-N 3.22Å; L439-L445 WeakPolarHBondContact O-CD1 3.29Å
440	Y	95	Very high	96	Very high	32 Å²	32	54.6 Å²	54.6	13%	0.125	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-6	171.3	-67.3	-101.1	0	0	0	112.5	R99 D438 D442	R99-Y440 HydrophobicContact CB-CD1 3.7Å; R99-Y440 HydrophobicContact CB-CG 4.46Å; R99-Y440 HydrophobicContact CG-CD1 3.42Å; R99-Y440 VanDerWaalsContact CG-CD1 3.42Å; R99-Y440 HydrophobicContact CG-CE1 3.91Å; D438-Y440 PolarHBondContact O-N 3.03Å; D438-Y440 VanDerWaalsContact OD1-CB 3.26Å; D438-Y440 WeakPolarHBondContact OD1-CB 3.29Å; D438-Y440 WeakPolarHBondContact OD1-CD2 3.43Å; D438-Y440 PolarHBondContact OD1-N 3.17Å; Y440-D442 PolarHBondContact O-N 3.21Å; Y440-D442 VanDerWaalsContact O-N 3.1Å
441	N	95.4	Very high	95.9	Very high	73 Å²	73	58 Å²	58	39%	0.39	31%	0.305	S	S	.	.			trans	-80.3	86	173.9	-171.5	-20.3	0	0	0	111.8	D438 L439 T443 A444 L445	D438-N441 WeakPolarHBondContact O-CB 3.34Å; D438-N441 PolarHBondContact O-N 3.14Å; L439-N441 PolarHBondContact O-N 3.22Å; N441-T443 PolarHBondContact O-N 3.29Å; N441-T443 PolarHBondContact OD1-N 3.36Å; N441-A444 HydrophobicContact CB-CB 4.1Å; N441-A444 PolarHBondContact O-N 3.46Å; N441-A444 VanDerWaalsContact O-N 3.16Å; N441-A444 PolarHBondContact OD1-N 2.73Å; N441-L445 PolarHBondContact O-N 3.21Å
442	D	92.1	Very high	95.8	Very high	48 Å²	48	56.5 Å²	56.5	26%	0.257	29%	0.288	S	S	.	.	H	α-helix	trans	-59.3	-29.1	-179.9	-72	-44.6	0	0	0	113.8	Y440 L446	Y440-D442 PolarHBondContact O-N 3.21Å; Y440-D442 VanDerWaalsContact O-N 3.1Å; D442-L446 VanDerWaalsContact O-CB 3.27Å; D442-L446 WeakPolarHBondContact O-CB 2.96Å; D442-L446 PolarHBondContact O-N 3.32Å
443	T	94.4	Very high	95.6	Very high	95 Å²	95	56.1 Å²	56.1	58%	0.583	29%	0.286	S	S	*	.	H	α-helix	trans	-69.5	-44.2	178.1	-59.3	0	0	0	0	110.8	N441 L446 Q447	N441-T443 PolarHBondContact O-N 3.29Å; N441-T443 PolarHBondContact OD1-N 3.36Å; T443-L446 PolarHBondContact O-N 3Å; T443-Q447 WeakPolarHBondContact O-CG 3.16Å; T443-Q447 PolarHBondContact O-N 3.35Å
444	A	96.3	Very high	95.4	Very high	21 Å²	21	63.5 Å²	63.5	17%	0.174	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-42.8	175.7	0	0	0	0	0	111.3	I436 N441 L446 Q447 A448	I436-A444 HydrophobicContact CD1-CB 4.1Å; I436-A444 HydrophobicContact CG1-CB 4.16Å; I436-A444 HydrophobicContact CG2-CB 3.99Å; N441-A444 HydrophobicContact CB-CB 4.1Å; N441-A444 PolarHBondContact O-N 3.46Å; N441-A444 VanDerWaalsContact O-N 3.16Å; N441-A444 PolarHBondContact OD1-N 2.73Å; A444-L446 VanDerWaalsContact C-N 3.35Å; A444-L446 PolarHBondContact O-N 2.83Å; A444-Q447 PolarHBondContact O-N 3.09Å; A444-A448 PolarHBondContact O-N 2.67Å
445	L	96.6	Very high	95.4	Very high	5 Å²	5	60 Å²	60	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-61.9	-40.8	174.9	-81	176.9	0	0	0	112.3	L278 L433 I436 L439 N441 A448 K449	L278-L445 HydrophobicContact CD1-CD1 4.03Å; L278-L445 HydrophobicContact CD1-CD2 4.36Å; L278-L445 HydrophobicContact CD2-CD2 4.45Å; L433-L445 HydrophobicContact CD2-CD2 3.92Å; I436-L445 HydrophobicContact CD1-CD2 4.31Å; L439-L445 WeakPolarHBondContact O-CD1 3.29Å; N441-L445 PolarHBondContact O-N 3.21Å; L445-A448 PolarHBondContact O-N 3.31Å; L445-K449 WeakPolarHBondContact O-CG 3.42Å; L445-K449 PolarHBondContact O-N 3.43Å
446	L	94.9	Very high	95.5	Very high	70 Å²	70	53.9 Å²	53.9	37%	0.366	27%	0.27	S	S	.	.	H	α-helix	trans	-62.2	-45.4	175.3	-178.8	61.9	0	0	0	111.1	D442 T443 A444 A448 K449 K450 Y572	D442-L446 VanDerWaalsContact O-CB 3.27Å; D442-L446 WeakPolarHBondContact O-CB 2.96Å; D442-L446 PolarHBondContact O-N 3.32Å; T443-L446 PolarHBondContact O-N 3Å; A444-L446 VanDerWaalsContact C-N 3.35Å; A444-L446 PolarHBondContact O-N 2.83Å; L446-A448 VanDerWaalsContact C-N 3.32Å; L446-A448 PolarHBondContact O-N 3.37Å; L446-K449 WeakPolarHBondContact O-CB 3.22Å; L446-K449 PolarHBondContact O-N 3.05Å; L446-K450 WeakPolarHBondContact O-CG 3.38Å; L446-K450 PolarHBondContact O-N 3.45Å; L446-Y572 HydrophobicContact CD1-CD1 4.17Å
447	Q	95.3	Very high	95.3	Very high	129 Å²	129	54.2 Å²	54.2	60%	0.603	27%	0.271	S	S	*	.	H	α-helix	trans	-60.2	-41.9	175.3	-72.4	178.4	-6.5	0	0	112	T443 A444 K450 K451	T443-Q447 WeakPolarHBondContact O-CG 3.16Å; T443-Q447 PolarHBondContact O-N 3.35Å; A444-Q447 PolarHBondContact O-N 3.09Å; Q447-K450 PolarHBondContact O-N 2.96Å; Q447-K451 PolarHBondContact O-N 3.24Å
448	A	97.1	Very high	95.3	Very high	7 Å²	7	51.1 Å²	51.1	6%	0.058	25%	0.252	C	S	.	.	H	α-helix	trans	-61.1	-42.6	173.7	0	0	0	0	0	112.1	W429 L432 I436 A444 L445 L446 K450 K451 F452	W429-A448 HydrophobicContact CH2-CB 4.49Å; W429-A448 HydrophobicContact CZ3-CB 3.94Å; L432-A448 HydrophobicContact CB-CB 4.12Å; L432-A448 HydrophobicContact CD1-CB 4.22Å; L432-A448 WeakPolarHBondContact CD1-O 3.46Å; I436-A448 HydrophobicContact CD1-CB 3.77Å; A444-A448 PolarHBondContact O-N 2.67Å; L445-A448 PolarHBondContact O-N 3.31Å; L446-A448 VanDerWaalsContact C-N 3.32Å; L446-A448 PolarHBondContact O-N 3.37Å; A448-K450 VanDerWaalsContact C-N 3.32Å; A448-K450 PolarHBondContact O-N 3.45Å; A448-K451 PolarHBondContact O-N 3.39Å; A448-F452 WeakPolarHBondContact O-CB 3.42Å; A448-F452 PolarHBondContact O-N 2.84Å
449	K	96.1	Very high	95.2	Very high	10 Å²	10	48.9 Å²	48.9	4%	0.043	24%	0.243	C	C	.	.	H	α-helix	trans	-57.9	-42.5	173.6	-72.4	173.8	173.4	-168.9	0	112.2	V396 K398 V401 L402 W429 L445 L446 H453 Y572	V396-K449 WeakPolarHBondContact O-CD 3.31Å; V396-K449 PolarHBondContact O-NZ 2.84Å; K398-K449 PolarHBondContact O-NZ 3.22Å; V401-K449 VanDerWaalsContact O-CE 3.29Å; V401-K449 WeakPolarHBondContact O-CE 3.45Å; V401-K449 PolarHBondContact O-NZ 3.4Å; L402-K449 HydrophobicContact CD2-CD 4.49Å; L402-K449 VanDerWaalsContact CD2-CE 3.5Å; L402-K449 HydrophobicContact CD2-CG 4.17Å; W429-K449 HydrophobicContact CH2-CB 4.37Å; W429-K449 HydrophobicContact CH2-CG 3.73Å; W429-K449 HydrophobicContact CZ2-CG 4.36Å; L445-K449 WeakPolarHBondContact O-CG 3.42Å; L445-K449 PolarHBondContact O-N 3.43Å; L446-K449 WeakPolarHBondContact O-CB 3.22Å; L446-K449 PolarHBondContact O-N 3.05Å; K449-H453 WeakPolarHBondContact O-CB 3.2Å; K449-H453 PolarHBondContact O-N 3.45Å; K449-Y572 HydrophobicContact CB-CE1 4.1Å
450	K	94.4	Very high	95.3	Very high	88 Å²	88	48.8 Å²	48.8	38%	0.383	24%	0.242	S	C	.	.	H	α-helix	trans	-62.9	-45.8	176.4	-53.1	-158.6	-172.1	-156.6	0	111.2	L446 Q447 A448 H453 W454 Y572	L446-K450 WeakPolarHBondContact O-CG 3.38Å; L446-K450 PolarHBondContact O-N 3.45Å; Q447-K450 PolarHBondContact O-N 2.96Å; A448-K450 VanDerWaalsContact C-N 3.32Å; A448-K450 PolarHBondContact O-N 3.45Å; K450-H453 PolarHBondContact O-N 3.16Å; K450-W454 PolarHBondContact O-N 3.07Å; K450-Y572 HydrophobicContact CD-CG 4.4Å; K450-Y572 HydrophobicContact CG-CD1 4.37Å; K450-Y572 HydrophobicContact CG-CD2 4.26Å; K450-Y572 HydrophobicContact CG-CG 3.87Å; K450-Y572 PolarHBondContact NZ-O 3.41Å
451	K	95.9	Very high	95.4	Very high	110 Å²	110	47.2 Å²	47.2	48%	0.478	24%	0.236	S	C	.	.	H	α-helix	trans	-64.4	-46.3	179.1	-175	166.6	167.2	-178.1	0	111.6	L432 Q447 A448 H453 W454 E455	L432-K451 HydrophobicContact CD2-CB 4.06Å; L432-K451 HydrophobicContact CD2-CD 3.52Å; L432-K451 HydrophobicContact CD2-CG 3.82Å; Q447-K451 PolarHBondContact O-N 3.24Å; A448-K451 PolarHBondContact O-N 3.39Å; K451-H453 VanDerWaalsContact C-N 3.34Å; K451-H453 PolarHBondContact O-N 3.31Å; K451-W454 PolarHBondContact O-N 3.4Å; K451-W454 VanDerWaalsContact O-N 3.14Å; K451-E455 WeakPolarHBondContact CE-OE1 3.23Å; K451-E455 HydrophobicContact CG-CG 4.38Å; K451-E455 WeakPolarHBondContact CG-OE1 3.3Å; K451-E455 IonicContact NZ-OE1 3.81Å; K451-E455 PolarHBondContact O-N 3.5Å
452	F	96.9	Very high	95.5	Very high	5 Å²	5	44.1 Å²	44.1	2%	0.022	22%	0.219	C	C	.	.	H	α-helix	trans	-52.9	-50.6	173.3	168.9	-107.4	0	0	0	111.8	L404 Y408 D425 I428 W429 L432 A448 W454 E455 R456	L404-F452 HydrophobicContact CD2-CE1 4.1Å; L404-F452 HydrophobicContact CD2-CZ 3.84Å; Y408-F452 HydrophobicContact CE1-CE1 4.25Å; D425-F452 HydrophobicContact CB-CE2 3.78Å; D425-F452 HydrophobicContact CB-CZ 4.04Å; I428-F452 HydrophobicContact CB-CD2 4.14Å; I428-F452 HydrophobicContact CG2-CB 4.35Å; I428-F452 HydrophobicContact CG2-CD2 3.74Å; W429-F452 AromaticContact CD1-CD2 3.65Å; W429-F452 AromaticContact CD1-CE2 3.5Å; W429-F452 HydrophobicContact CD2-CD2 4.32Å; W429-F452 HydrophobicContact CD2-CG 4.46Å; W429-F452 AromaticContact CE2-CD1 3.86Å; W429-F452 AromaticContact CE2-CD2 3.66Å; W429-F452 AromaticContact CE2-CG 3.54Å; W429-F452 HydrophobicContact CG-CD2 4.31Å; W429-F452 HydrophobicContact CH2-CB 4.16Å; W429-F452 HydrophobicContact CH2-CG 4.47Å; W429-F452 HydrophobicContact CZ2-CB 3.7Å; W429-F452 AromaticContact CZ2-CD1 3.63Å; W429-F452 HydrophobicContact CZ2-CD1 3.63Å; W429-F452 HydrophobicContact CZ2-CD2 4.17Å; W429-F452 HydrophobicContact CZ2-CE1 4.27Å; W429-F452 AromaticContact CZ2-CG 3.55Å; W429-F452 HydrophobicContact CZ2-CG 3.55Å; W429-F452 AromaticContact NE1-CD1 3.68Å; W429-F452 AromaticContact NE1-CD2 3.18Å; W429-F452 AromaticContact NE1-CE1 3.63Å; W429-F452 AromaticContact NE1-CE2 3.14Å; W429-F452 AromaticContact NE1-CG 3.46Å; W429-F452 AromaticContact NE1-CZ 3.36Å; L432-F452 HydrophobicContact CD1-CB 3.77Å; A448-F452 WeakPolarHBondContact O-CB 3.42Å; A448-F452 PolarHBondContact O-N 2.84Å; F452-W454 VanDerWaalsContact C-N 3.3Å; F452-W454 PolarHBondContact O-N 2.9Å; F452-E455 PolarHBondContact O-N 3.46Å; F452-R456 VanDerWaalsContact CZ-CD 3.44Å; F452-R456 WeakPolarHBondContact O-CG 3.47Å; F452-R456 PolarHBondContact O-N 3.36Å; F452-R456 VanDerWaalsContact O-N 3.09Å
453	H	93.8	Very high	95.7	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.028	21%	0.207	C	C	.	.	H	α-helix	trans	-63.3	-36.2	-179.6	-171.7	-86.9	0	0	0	112.4	K449 K450 K451 R456 K457 Y569 Y572	K449-H453 WeakPolarHBondContact O-CB 3.2Å; K449-H453 PolarHBondContact O-N 3.45Å; K450-H453 PolarHBondContact O-N 3.16Å; K451-H453 VanDerWaalsContact C-N 3.34Å; K451-H453 PolarHBondContact O-N 3.31Å; H453-R456 WeakPolarHBondContact O-CG 3.2Å; H453-K457 WeakPolarHBondContact O-CB 3.47Å; H453-K457 VanDerWaalsContact O-CG 3.25Å; H453-K457 WeakPolarHBondContact O-CG 3.47Å; H453-K457 PolarHBondContact O-N 2.93Å; H453-Y569 PolarHBondContact CE1-O 2.67Å; H453-Y569 VanDerWaalsContact CE1-O 3.22Å; H453-Y572 HydrophobicContact CB-CD2 4.34Å; H453-Y572 HydrophobicContact CB-CE2 3.67Å; H453-Y572 AromaticContact CG-CE2 3.88Å
454	W	94.5	Very high	95.9	Very high	157 Å²	157	37.5 Å²	37.5	60%	0.595	18%	0.18	S	C	*	.	H	α-helix	trans	-69	-51	175.6	-160.8	115.5	0	0	0	111.9	K450 K451 F452 R456 K457 S458	K450-W454 PolarHBondContact O-N 3.07Å; K451-W454 PolarHBondContact O-N 3.4Å; K451-W454 VanDerWaalsContact O-N 3.14Å; F452-W454 VanDerWaalsContact C-N 3.3Å; F452-W454 PolarHBondContact O-N 2.9Å; W454-R456 PolarHBondContact O-N 3.2Å; W454-K457 WeakPolarHBondContact O-CG 3.45Å; W454-K457 PolarHBondContact O-N 2.72Å; W454-S458 WeakPolarHBondContact CZ3-OG 3.31Å; W454-S458 WeakPolarHBondContact O-CB 3.19Å; W454-S458 PolarHBondContact O-N 3.17Å; W454-S458 VanDerWaalsContact O-N 3.09Å; W454-S458 PolarHBondContact O-OG 3.42Å
455	E	96	Very high	96	Very high	66 Å²	66	36.6 Å²	36.6	31%	0.308	17%	0.173	S	C	.	.	H	α-helix	trans	-59.1	-48.2	-176.4	-74	-176.3	-166.4	0	0	111.4	I428 K451 F452 K457 S458 S459	I428-E455 HydrophobicContact CD1-CB 3.9Å; I428-E455 WeakPolarHBondContact CG2-OE2 3.35Å; K451-E455 WeakPolarHBondContact CE-OE1 3.23Å; K451-E455 HydrophobicContact CG-CG 4.38Å; K451-E455 WeakPolarHBondContact CG-OE1 3.3Å; K451-E455 IonicContact NZ-OE1 3.81Å; K451-E455 PolarHBondContact O-N 3.5Å; F452-E455 PolarHBondContact O-N 3.46Å; E455-K457 PolarHBondContact O-N 3.15Å; E455-S458 PolarHBondContact O-N 2.85Å; E455-S458 PolarHBondContact O-OG 3.47Å; E455-S459 PolarHBondContact O-OG 3.21Å
456	R	95.9	Very high	96	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.5	-40.7	179.6	73.2	-168.9	-65.2	-72	-5.5	113.6	N409 D425 I428 F452 H453 W454 S458 S459 S461	N409-R456 PolarHBondContact OD1-NH2 3.42Å; D425-R456 IonicContact OD1-NE 3.87Å; D425-R456 IonicContact OD2-NE 3.94Å; D425-R456 IonicContact OD2-NH2 3.82Å; I428-R456 HydrophobicContact CD1-CB 4.33Å; F452-R456 VanDerWaalsContact CZ-CD 3.44Å; F452-R456 WeakPolarHBondContact O-CG 3.47Å; F452-R456 PolarHBondContact O-N 3.36Å; F452-R456 VanDerWaalsContact O-N 3.09Å; H453-R456 WeakPolarHBondContact O-CG 3.2Å; W454-R456 PolarHBondContact O-N 3.2Å; R456-S458 VanDerWaalsContact C-N 3.26Å; R456-S458 PolarHBondContact O-N 3.01Å; R456-S459 CarbonylContact O-C 3.55Å; R456-S459 PolarHBondContact O-N 3.27Å; R456-S461 PolarHBondContact NH1-OG 3.28Å; R456-S461 PolarHBondContact NH2-OG 3.41Å; R456-S461 VanDerWaalsContact NH2-OG 3.13Å; R456-S461 WeakPolarHBondContact O-CB 3.3Å; R456-S461 PolarHBondContact O-N 3.49Å
457	K	93.6	Very high	96.1	Very high	22 Å²	22	34 Å²	34	10%	0.096	16%	0.159	C	C	.	.	H	α-helix	trans	-71.9	-23.1	-178.5	80.3	-177.3	-178.8	176.8	0	112.2	H453 W454 E455 S459 F462	H453-K457 WeakPolarHBondContact O-CB 3.47Å; H453-K457 VanDerWaalsContact O-CG 3.25Å; H453-K457 WeakPolarHBondContact O-CG 3.47Å; H453-K457 PolarHBondContact O-N 2.93Å; W454-K457 WeakPolarHBondContact O-CG 3.45Å; W454-K457 PolarHBondContact O-N 2.72Å; E455-K457 PolarHBondContact O-N 3.15Å; K457-S459 VanDerWaalsContact C-N 3.27Å; K457-F462 VanDerWaalsContact O-CB 3.23Å; K457-F462 WeakPolarHBondContact O-CB 3.15Å
458	S	93.8	Very high	96.2	Very high	45 Å²	45	27.8 Å²	27.8	32%	0.315	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.8	175.7	73	0	0	0	0	113.8	W454 E455 R456 P514	W454-S458 WeakPolarHBondContact CZ3-OG 3.31Å; W454-S458 WeakPolarHBondContact O-CB 3.19Å; W454-S458 PolarHBondContact O-N 3.17Å; W454-S458 VanDerWaalsContact O-N 3.09Å; W454-S458 PolarHBondContact O-OG 3.42Å; E455-S458 PolarHBondContact O-N 2.85Å; E455-S458 PolarHBondContact O-OG 3.47Å; R456-S458 VanDerWaalsContact C-N 3.26Å; R456-S458 PolarHBondContact O-N 3.01Å; S458-P514 WeakPolarHBondContact O-CD 3.3Å
459	S	95.4	Very high	96.2	Very high	30 Å²	30	27.8 Å²	27.8	21%	0.21	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142	-114	-169.8	62.5	0	0	0	0	112.3	E455 R456 K457 V463 P512	E455-S459 PolarHBondContact O-OG 3.21Å; R456-S459 CarbonylContact O-C 3.55Å; R456-S459 PolarHBondContact O-N 3.27Å; K457-S459 VanDerWaalsContact C-N 3.27Å; S459-V463 PolarHBondContact O-N 3.38Å; S459-P512 WeakPolarHBondContact CA-O 3.19Å
460	H	97.6	Very high	96.2	Very high	5 Å²	5	27.5 Å²	27.5	2%	0.023	13%	0.128	C	C	.	.	H	α-helix	trans	-68.8	-37	-167.4	61.6	-75.6	0	0	0	114	D425 F462 V464 V509 P512	D425-H460 IonicContact OD1-CD2 3.48Å; D425-H460 IonicContact OD1-CE1 3.48Å; D425-H460 IonicContact OD1-NE2 3.53Å; D425-H460 PolarHBondContact OD1-NE2 2.99Å; H460-F462 PolarHBondContact O-N 3.25Å; H460-V464 VanDerWaalsContact O-CB 3.24Å; H460-V464 WeakPolarHBondContact O-CB 3.43Å; H460-V464 WeakPolarHBondContact O-CG2 3.37Å; H460-V464 PolarHBondContact O-N 2.78Å; H460-V509 HydrophobicContact CB-CG1 3.9Å; H460-P512 HydrophobicContact CB-CB 4.41Å; H460-P512 HydrophobicContact CB-CG 4.43Å
461	S	96.8	Very high	96.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.3	-50.1	179.2	-177.8	0	0	0	0	110.6	R456 N465 E566	R456-S461 PolarHBondContact NH1-OG 3.28Å; R456-S461 PolarHBondContact NH2-OG 3.41Å; R456-S461 VanDerWaalsContact NH2-OG 3.13Å; R456-S461 WeakPolarHBondContact O-CB 3.3Å; R456-S461 PolarHBondContact O-N 3.49Å; S461-N465 WeakPolarHBondContact O-CB 3.48Å; S461-N465 PolarHBondContact O-N 3.43Å; S461-N465 PolarHBondContact O-ND2 3.41Å; S461-N465 PolarHBondContact OG-ND2 2.98Å; S461-E566 WeakPolarHBondContact CB-OE2 3.28Å; S461-E566 PolarHBondContact OG-OE2 2.99Å
462	F	97.3	Very high	96.3	Very high	7 Å²	7	19.5 Å²	19.5	3%	0.031	10%	0.095	C	C	.	.	H	α-helix	trans	-60.3	-53.3	-178.1	-176.8	-76.5	0	0	0	110.9	K457 H460 V466 P514 L517 I518 I563 E566 L567	K457-F462 VanDerWaalsContact O-CB 3.23Å; K457-F462 WeakPolarHBondContact O-CB 3.15Å; H460-F462 PolarHBondContact O-N 3.25Å; F462-V466 HydrophobicContact CD1-CG2 4.33Å; F462-V466 HydrophobicContact CE1-CG2 4.3Å; F462-V466 HydrophobicContact CG-CG2 4.47Å; F462-V466 HydrophobicContact CZ-CG2 4.43Å; F462-V466 VanDerWaalsContact O-CB 3.22Å; F462-V466 WeakPolarHBondContact O-CB 3.43Å; F462-V466 WeakPolarHBondContact O-CG2 3.36Å; F462-V466 PolarHBondContact O-N 3.29Å; F462-P514 HydrophobicContact CB-CG 4.18Å; F462-P514 HydrophobicContact CD1-CB 3.53Å; F462-P514 HydrophobicContact CD1-CG 3.82Å; F462-P514 HydrophobicContact CE1-CB 3.6Å; F462-P514 HydrophobicContact CE1-CG 4.39Å; F462-P514 HydrophobicContact CG-CB 4.04Å; F462-P514 HydrophobicContact CG-CG 3.98Å; F462-P514 HydrophobicContact CZ-CB 4.15Å; F462-L517 HydrophobicContact CD1-CD2 4.31Å; F462-L517 HydrophobicContact CE1-CD2 4.13Å; F462-I518 HydrophobicContact CZ-CD1 4.17Å; F462-I563 HydrophobicContact CE2-CB 4.48Å; F462-I563 HydrophobicContact CE2-CG1 4.41Å; F462-I563 HydrophobicContact CE2-CG2 4.09Å; F462-I563 HydrophobicContact CZ-CB 4.43Å; F462-I563 HydrophobicContact CZ-CG1 3.88Å; F462-I563 HydrophobicContact CZ-CG2 4.24Å; F462-E566 HydrophobicContact CD2-CB 3.79Å; F462-E566 HydrophobicContact CD2-CG 4.27Å; F462-E566 HydrophobicContact CE2-CB 4.41Å; F462-L567 HydrophobicContact CE2-CG 4.44Å
463	V	97.9	Very high	96.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.9	-50.8	-175.4	171.6	0	0	0	0	111.1	S459 N465 L467 L506 P512	S459-V463 PolarHBondContact O-N 3.38Å; V463-N465 PolarHBondContact O-N 3.09Å; V463-L467 WeakPolarHBondContact O-CB 3.27Å; V463-L467 PolarHBondContact O-N 3.21Å; V463-L506 HydrophobicContact CG1-CB 3.74Å; V463-L506 HydrophobicContact CG1-CD2 3.7Å; V463-L506 HydrophobicContact CG1-CG 4.29Å; V463-L506 HydrophobicContact CG2-CD2 4.12Å; V463-P512 HydrophobicContact CB-CB 3.99Å; V463-P512 HydrophobicContact CG1-CB 4.35Å; V463-P512 VanDerWaalsContact CG2-C 3.45Å; V463-P512 HydrophobicContact CG2-CB 4.06Å
464	V	97.9	Very high	96.1	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.024	10%	0.103	C	C	.	.	H	α-helix	trans	-66.1	-41	-174.5	176.9	0	0	0	0	111.4	R411 V421 H460 A468 V509	R411-V464 HydrophobicContact CG-CG1 4.17Å; V421-V464 HydrophobicContact CG2-CB 3.78Å; V421-V464 HydrophobicContact CG2-CG1 3.71Å; V421-V464 HydrophobicContact CG2-CG2 3.95Å; H460-V464 VanDerWaalsContact O-CB 3.24Å; H460-V464 WeakPolarHBondContact O-CB 3.43Å; H460-V464 WeakPolarHBondContact O-CG2 3.37Å; H460-V464 PolarHBondContact O-N 2.78Å; V464-A468 WeakPolarHBondContact O-CB 3.45Å; V464-A468 PolarHBondContact O-N 3.46Å; V464-A468 VanDerWaalsContact O-N 3.1Å; V464-V509 HydrophobicContact CG2-CB 4.44Å; V464-V509 HydrophobicContact CG2-CG1 3.9Å; V464-V509 HydrophobicContact CG2-CG2 3.6Å
465	N	97.6	Very high	96.1	Very high	3 Å²	3	14.1 Å²	14.1	2%	0.016	8%	0.076	C	C	.	.	H	α-helix	trans	-72.3	-49.3	-177.3	-64.5	-10.6	0	0	0	111.9	N409 R411 S461 V463 Q469 E566	N409-N465 PolarHBondContact ND2-ND2 3.24Å; N409-N465 PolarHBondContact OD1-ND2 2.57Å; R411-N465 PolarHBondContact NE-OD1 2.99Å; R411-N465 PolarHBondContact NH2-OD1 3.1Å; S461-N465 WeakPolarHBondContact O-CB 3.48Å; S461-N465 PolarHBondContact O-N 3.43Å; S461-N465 PolarHBondContact O-ND2 3.41Å; S461-N465 PolarHBondContact OG-ND2 2.98Å; V463-N465 PolarHBondContact O-N 3.09Å; N465-Q469 WeakPolarHBondContact O-CG 3.47Å; N465-Q469 PolarHBondContact O-N 2.96Å; N465-E566 HydrophobicContact CB-CG 4.48Å; N465-E566 VanDerWaalsContact CB-OE1 3.29Å; N465-E566 WeakPolarHBondContact CB-OE1 3.37Å; N465-E566 PolarHBondContact ND2-OE1 3.45Å
466	V	97.5	Very high	95.9	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.006	6%	0.063	C	C	.	.	H	α-helix	trans	-67.1	-44.9	-178.3	177.4	0	0	0	0	110.1	F462 A468 Q469 A470 L517 M559 L562 E566	F462-V466 HydrophobicContact CD1-CG2 4.33Å; F462-V466 HydrophobicContact CE1-CG2 4.3Å; F462-V466 HydrophobicContact CG-CG2 4.47Å; F462-V466 HydrophobicContact CZ-CG2 4.43Å; F462-V466 VanDerWaalsContact O-CB 3.22Å; F462-V466 WeakPolarHBondContact O-CB 3.43Å; F462-V466 WeakPolarHBondContact O-CG2 3.36Å; F462-V466 PolarHBondContact O-N 3.29Å; V466-A468 PolarHBondContact O-N 3.41Å; V466-Q469 PolarHBondContact O-N 3.07Å; V466-A470 WeakPolarHBondContact O-CB 3.22Å; V466-A470 PolarHBondContact O-N 3.4Å; V466-L517 HydrophobicContact CB-CD2 3.79Å; V466-L517 HydrophobicContact CG1-CD2 3.79Å; V466-M559 HydrophobicContact CG1-CE 4.15Å; V466-M559 HydrophobicContact CG1-SD 3.47Å; V466-M559 WeakPolarHBondContact CG1-SD 3.21Å; V466-L562 HydrophobicContact CB-CB 4.49Å; V466-L562 HydrophobicContact CG1-CB 4.03Å; V466-L562 HydrophobicContact CG2-CB 4.23Å; V466-E566 HydrophobicContact CG2-CG 3.9Å
467	L	97.4	Very high	95.5	Very high	18 Å²	18	12.1 Å²	12.1	9%	0.094	7%	0.071	C	C	.	.	H	α-helix	trans	-61.3	-46.2	178.4	-178.5	67.7	0	0	0	111.6	T415 V463 Q469 A470 L471 L506 L507 L517	T415-L467 HydrophobicContact CG2-CG 4.5Å; V463-L467 WeakPolarHBondContact O-CB 3.27Å; V463-L467 PolarHBondContact O-N 3.21Å; L467-Q469 PolarHBondContact O-N 2.85Å; L467-A470 PolarHBondContact O-N 3.48Å; L467-L471 HydrophobicContact CD1-CD1 3.61Å; L467-L471 HydrophobicContact CD1-CD2 4.49Å; L467-L471 HydrophobicContact CD1-CG 3.74Å; L467-L471 HydrophobicContact CD2-CD1 4.48Å; L467-L471 HydrophobicContact CG-CD1 3.82Å; L467-L471 HydrophobicContact CG-CG 4.23Å; L467-L471 VanDerWaalsContact O-CB 3.29Å; L467-L471 WeakPolarHBondContact O-CB 3.35Å; L467-L471 WeakPolarHBondContact O-CG 3.42Å; L467-L471 PolarHBondContact O-N 3.47Å; L467-L506 HydrophobicContact CD2-CB 4.06Å; L467-L507 HydrophobicContact CD2-CB 4.29Å; L467-L507 HydrophobicContact CD2-CD1 4.47Å; L467-L517 HydrophobicContact CB-CD1 4.04Å; L467-L517 HydrophobicContact CB-CD2 4.33Å; L467-L517 HydrophobicContact CD1-CD1 3.62Å; L467-L517 HydrophobicContact CG-CD1 4.39Å
468	A	97.1	Very high	95.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.1	-46.1	-178.7	0	0	0	0	0	112.4	R411 H412 T415 V464 V466 Y472	R411-A468 HydrophobicContact CB-CB 3.96Å; R411-A468 HydrophobicContact CG-CB 3.87Å; H412-A468 HydrophobicContact CB-CB 4.37Å; T415-A468 HydrophobicContact CG2-CB 4.22Å; T415-A468 WeakPolarHBondContact OG1-CB 3.26Å; V464-A468 WeakPolarHBondContact O-CB 3.45Å; V464-A468 PolarHBondContact O-N 3.46Å; V464-A468 VanDerWaalsContact O-N 3.1Å; V466-A468 PolarHBondContact O-N 3.41Å; A468-Y472 WeakPolarHBondContact O-CB 3.47Å; A468-Y472 PolarHBondContact O-N 2.96Å; A468-Y472 VanDerWaalsContact O-N 3.09Å
469	Q	96.8	Very high	95	Very high	7 Å²	7	15.3 Å²	15.3	3%	0.033	9%	0.089	C	C	.	.	H	α-helix	trans	-74.4	-41.3	-179.7	-62.4	-58.5	-9.5	0	0	112.4	F390 H412 N465 V466 L467 Y472 E473 L562	F390-Q469 HydrophobicContact CD2-CG 3.85Å; F390-Q469 HydrophobicContact CE2-CG 3.91Å; F390-Q469 HydrophobicContact CG-CG 4.3Å; F390-Q469 VanDerWaalsContact CG-NE2 3.26Å; F390-Q469 HydrophobicContact CZ-CG 4.41Å; H412-Q469 VanDerWaalsContact N-NE2 3.11Å; N465-Q469 WeakPolarHBondContact O-CG 3.47Å; N465-Q469 PolarHBondContact O-N 2.96Å; V466-Q469 PolarHBondContact O-N 3.07Å; L467-Q469 PolarHBondContact O-N 2.85Å; Q469-Y472 PolarHBondContact O-N 3.33Å; Q469-E473 WeakPolarHBondContact O-CG 3.39Å; Q469-E473 PolarHBondContact O-N 3.33Å; Q469-L562 HydrophobicContact CB-CD1 3.67Å; Q469-L562 HydrophobicContact CB-CD2 3.53Å; Q469-L562 HydrophobicContact CB-CG 4.25Å; Q469-L562 HydrophobicContact CG-CD2 3.93Å
470	A	96.2	Very high	94.8	Very high	3 Å²	3	20.4 Å²	20.4	3%	0.025	11%	0.114	C	C	.	.	H	α-helix	trans	-65	-44.5	179.6	0	0	0	0	0	111.8	V466 L467 L474 F521 V558 M559 L562	V466-A470 WeakPolarHBondContact O-CB 3.22Å; V466-A470 PolarHBondContact O-N 3.4Å; L467-A470 PolarHBondContact O-N 3.48Å; A470-L474 PolarHBondContact O-N 3.28Å; A470-L474 VanDerWaalsContact O-N 3.1Å; A470-F521 HydrophobicContact CB-CD2 4.33Å; A470-F521 HydrophobicContact CB-CE2 3.99Å; A470-V558 HydrophobicContact CB-CG1 4.14Å; A470-M559 HydrophobicContact CB-CE 4.34Å; A470-L562 HydrophobicContact CB-CD1 3.98Å
471	L	95	Very high	94.6	Very high	31 Å²	31	21.5 Å²	21.5	16%	0.162	12%	0.121	C	C	.	.	H	α-helix	trans	-66.1	-38.9	175.2	-75.9	-177.9	0	0	0	112	L414 T415 L467 L474 F475	L414-L471 HydrophobicContact CD2-CB 4.2Å; T415-L471 HydrophobicContact CG2-CD1 4.1Å; L467-L471 HydrophobicContact CD1-CD1 3.61Å; L467-L471 HydrophobicContact CD1-CD2 4.49Å; L467-L471 HydrophobicContact CD1-CG 3.74Å; L467-L471 HydrophobicContact CD2-CD1 4.48Å; L467-L471 HydrophobicContact CG-CD1 3.82Å; L467-L471 HydrophobicContact CG-CG 4.23Å; L467-L471 VanDerWaalsContact O-CB 3.29Å; L467-L471 WeakPolarHBondContact O-CB 3.35Å; L467-L471 WeakPolarHBondContact O-CG 3.42Å; L467-L471 PolarHBondContact O-N 3.47Å; L471-L474 PolarHBondContact O-N 3.22Å; L471-F475 HydrophobicContact CB-CE2 4.49Å; L471-F475 HydrophobicContact CD2-CE1 4.49Å; L471-F475 HydrophobicContact CD2-CE2 4.3Å; L471-F475 HydrophobicContact CD2-CZ 4.01Å; L471-F475 WeakPolarHBondContact O-CB 3.4Å; L471-F475 WeakPolarHBondContact O-CG 3.35Å; L471-F475 PolarHBondContact O-N 3.27Å
472	Y	96.8	Very high	94.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62	-50.2	176.8	172.3	-108.3	0	0	0	111.9	S301 S302 D345 H412 A468 Q469 L474 F475 A476	S301-Y472 PolarHBondContact O-OH 3.38Å; S302-Y472 WeakPolarHBondContact CB-OH 3.42Å; S302-Y472 PolarHBondContact OG-OH 2.65Å; D345-Y472 WeakPolarHBondContact OD2-CE2 3.44Å; H412-Y472 HydrophobicContact CB-CG 4.45Å; H412-Y472 AromaticContact CD2-CD1 3.65Å; H412-Y472 AromaticContact CD2-CD2 3.6Å; H412-Y472 AromaticContact CD2-CE1 3.96Å; H412-Y472 AromaticContact CD2-CE2 3.91Å; H412-Y472 AromaticContact CD2-CG 3.46Å; H412-Y472 VanDerWaalsContact CD2-CG 3.46Å; H412-Y472 AromaticContact CE1-CD2 3.3Å; H412-Y472 WeakPolarHBondContact CE1-CD2 3.4Å; H412-Y472 AromaticContact CE1-CE2 3.71Å; H412-Y472 AromaticContact CE1-CG 3.86Å; H412-Y472 AromaticContact CG-CD2 3.93Å; H412-Y472 AromaticContact CG-CG 3.66Å; H412-Y472 AromaticContact ND1-CD2 3.73Å; H412-Y472 AromaticContact ND1-CG 3.88Å; H412-Y472 AromaticContact NE2-CD2 3.22Å; H412-Y472 WeakPolarHBondContact NE2-CD2 3.41Å; H412-Y472 AromaticContact NE2-CE2 3.28Å; H412-Y472 VanDerWaalsContact NE2-CE2 3.28Å; H412-Y472 WeakPolarHBondContact NE2-CE2 3.15Å; H412-Y472 AromaticContact NE2-CG 3.63Å; H412-Y472 AromaticContact NE2-CZ 3.74Å; A468-Y472 WeakPolarHBondContact O-CB 3.47Å; A468-Y472 PolarHBondContact O-N 2.96Å; A468-Y472 VanDerWaalsContact O-N 3.09Å; Q469-Y472 PolarHBondContact O-N 3.33Å; Y472-L474 PolarHBondContact O-N 2.84Å; Y472-F475 PolarHBondContact O-N 3.1Å; Y472-A476 HydrophobicContact CD2-CB 4.08Å; Y472-A476 HydrophobicContact CE2-CB 3.58Å; Y472-A476 VanDerWaalsContact O-CB 3.3Å; Y472-A476 WeakPolarHBondContact O-CB 3.35Å; Y472-A476 PolarHBondContact O-N 2.92Å
473	E	94.6	Very high	94.3	Very high	46 Å²	46	23.1 Å²	23.1	22%	0.215	13%	0.129	C	C	.	.	H	α-helix	trans	-62.6	-30.3	177.8	-68.3	-71.1	-177	0	0	112.5	R347 Q469 V558	R347-E473 IonicContact CZ-OE2 3.4Å; R347-E473 IonicContact NH1-OE2 2.86Å; R347-E473 PolarHBondContact NH1-OE2 3.42Å; R347-E473 IonicContact NH2-OE1 3.31Å; R347-E473 PolarHBondContact NH2-OE1 3.12Å; R347-E473 IonicContact NH2-OE2 2.98Å; R347-E473 PolarHBondContact NH2-OE2 3.02Å; Q469-E473 WeakPolarHBondContact O-CG 3.39Å; Q469-E473 PolarHBondContact O-N 3.33Å; E473-V558 HydrophobicContact CB-CG1 4.33Å; E473-V558 HydrophobicContact CB-CG2 4.45Å
474	L	93.6	Very high	94.1	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.016	14%	0.144	C	C	.	.	H	α-helix	trans	-70	-49.6	172.1	-104.8	64.7	0	0	0	112.1	A470 L471 Y472 A477 L482 L485 R486 C489 F521	A470-L474 PolarHBondContact O-N 3.28Å; A470-L474 VanDerWaalsContact O-N 3.1Å; L471-L474 PolarHBondContact O-N 3.22Å; Y472-L474 PolarHBondContact O-N 2.84Å; L474-A477 WeakPolarHBondContact O-CB 3.47Å; L474-A477 PolarHBondContact O-N 3.45Å; L474-L482 HydrophobicContact CD1-CD2 4.05Å; L474-L485 HydrophobicContact CD1-CB 4.27Å; L474-L485 HydrophobicContact CD1-CD1 4.28Å; L474-L485 HydrophobicContact CD2-CB 4.11Å; L474-L485 HydrophobicContact CG-CB 3.9Å; L474-R486 WeakPolarHBondContact O-CB 3.5Å; L474-C489 HydrophobicContact CD2-CB 4.44Å; L474-F521 HydrophobicContact CD1-CE2 4.18Å
475	F	93.1	Very high	94	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.026	14%	0.143	C	C	.	.	H	α-helix	trans	-76.8	-31.5	-173	-66.5	-14.5	0	0	0	113	L322 L324 P329 L414 L471 Y472 A477 R486 C489	L322-F475 HydrophobicContact CD2-CD2 4.1Å; L322-F475 HydrophobicContact CD2-CE2 3.64Å; L322-F475 HydrophobicContact CD2-CZ 4.46Å; L324-F475 HydrophobicContact CD2-CB 4.32Å; L324-F475 HydrophobicContact CD2-CD1 3.91Å; L324-F475 HydrophobicContact CD2-CD2 3.87Å; L324-F475 HydrophobicContact CD2-CE1 4.12Å; L324-F475 HydrophobicContact CD2-CE2 4.11Å; L324-F475 HydrophobicContact CD2-CG 3.78Å; L324-F475 HydrophobicContact CD2-CZ 4.22Å; P329-F475 HydrophobicContact CB-CB 4.43Å; P329-F475 HydrophobicContact CG-CB 4.23Å; L414-F475 HydrophobicContact CD2-CD2 4.03Å; L471-F475 HydrophobicContact CB-CE2 4.49Å; L471-F475 HydrophobicContact CD2-CE1 4.49Å; L471-F475 HydrophobicContact CD2-CE2 4.3Å; L471-F475 HydrophobicContact CD2-CZ 4.01Å; L471-F475 WeakPolarHBondContact O-CB 3.4Å; L471-F475 WeakPolarHBondContact O-CG 3.35Å; L471-F475 PolarHBondContact O-N 3.27Å; Y472-F475 PolarHBondContact O-N 3.1Å; F475-A477 VanDerWaalsContact C-N 3.28Å; F475-A477 PolarHBondContact O-N 3.43Å; F475-R486 HydrophobicContact CD1-CG 4.12Å; F475-R486 PolarHBondContact O-NH1 3.07Å; F475-C489 HydrophobicContact CE1-CB 4.45Å
476	A	92.6	Very high	93.9	Very high	3 Å²	3	26 Å²	26	3%	0.025	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	44.1	169.9	0	0	0	0	0	111.7	N328 R347 Y472 T478	N328-A476 WeakPolarHBondContact ND2-CB 3.28Å; R347-A476 PolarHBondContact NH1-O 3.12Å; Y472-A476 HydrophobicContact CD2-CB 4.08Å; Y472-A476 HydrophobicContact CE2-CB 3.58Å; Y472-A476 VanDerWaalsContact O-CB 3.3Å; Y472-A476 WeakPolarHBondContact O-CB 3.35Å; Y472-A476 PolarHBondContact O-N 2.92Å; A476-T478 PolarHBondContact O-N 3.18Å
477	A	87.7	Confident	93.8	Very high	20 Å²	20	29.5 Å²	29.5	17%	0.165	16%	0.157	C	C	.	.			trans	-55.1	122.6	-174.1	0	0	0	0	0	112.3	L474 F475 L482 H483	L474-A477 WeakPolarHBondContact O-CB 3.47Å; L474-A477 PolarHBondContact O-N 3.45Å; F475-A477 VanDerWaalsContact C-N 3.28Å; F475-A477 PolarHBondContact O-N 3.43Å; A477-L482 HydrophobicContact CB-CB 3.52Å; A477-H483 HydrophobicContact CB-CB 4.15Å
478	T	86.1	Confident	93.7	Very high	87 Å²	87	28.8 Å²	28.8	53%	0.534	15%	0.154	S	C	.	.			trans	-95.6	-9.2	178.4	57.1	0	0	0	0	113.8	A476	A476-T478 PolarHBondContact O-N 3.18Å
479	D	91.1	Very high	93.7	Very high	48 Å²	48	29 Å²	29	26%	0.257	16%	0.155	S	C	.	.	S	Bend	trans	-142.5	161.5	-175.7	67.6	68.6	0	0	0	111	S481 L482 H483 R554	D479-S481 PolarHBondContact O-N 3.37Å; D479-S481 WeakPolarHBondContact OD1-CA 3.37Å; D479-S481 VanDerWaalsContact OD1-CB 3.31Å; D479-S481 WeakPolarHBondContact OD1-CB 3.37Å; D479-S481 PolarHBondContact OD1-N 2.93Å; D479-L482 PolarHBondContact O-N 2.87Å; D479-L482 PolarHBondContact OD1-N 3.28Å; D479-L482 VanDerWaalsContact OD2-CD1 3.3Å; D479-L482 WeakPolarHBondContact OD2-CD1 3.48Å; D479-L482 WeakPolarHBondContact OD2-CG 3.3Å; D479-H483 PolarHBondContact O-N 3.28Å; D479-R554 IonicContact OD2-CZ 3.35Å; D479-R554 IonicContact OD2-NE 2.78Å; D479-R554 PolarHBondContact OD2-NE 2.76Å; D479-R554 IonicContact OD2-NH2 3.1Å; D479-R554 PolarHBondContact OD2-NH2 3.15Å; D479-R554 VanDerWaalsContact OD2-NH2 3.1Å
480	N	91.3	Very high	93.7	Very high	137 Å²	137	28.7 Å²	28.7	73%	0.733	15%	0.154	S	C	*	.	H	α-helix	trans	-59.8	-33.8	-177	-67.6	-20.1	0	0	0	112.6	H483 E484	N480-H483 PolarHBondContact O-N 2.98Å; N480-E484 WeakPolarHBondContact O-CG 3.32Å; N480-E484 PolarHBondContact O-N 3.31Å
481	S	93.3	Very high	93.7	Very high	27 Å²	27	31.3 Å²	31.3	19%	0.189	17%	0.166	C	C	.	.	H	α-helix	trans	-70.2	-40.2	-178.8	-59.3	0	0	0	0	111.4	D479 H483 E484 L485	D479-S481 PolarHBondContact O-N 3.37Å; D479-S481 WeakPolarHBondContact OD1-CA 3.37Å; D479-S481 VanDerWaalsContact OD1-CB 3.31Å; D479-S481 WeakPolarHBondContact OD1-CB 3.37Å; D479-S481 PolarHBondContact OD1-N 2.93Å; S481-H483 VanDerWaalsContact C-N 3.32Å; S481-E484 PolarHBondContact O-N 3.32Å; S481-L485 WeakPolarHBondContact O-CG 3.33Å; S481-L485 PolarHBondContact O-N 2.87Å
482	L	93.3	Very high	93.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.5	-36.9	172.3	-70.8	175.4	0	0	0	111.9	L474 A477 D479 L485 R486 R554 V558	L474-L482 HydrophobicContact CD1-CD2 4.05Å; A477-L482 HydrophobicContact CB-CB 3.52Å; D479-L482 PolarHBondContact O-N 2.87Å; D479-L482 PolarHBondContact OD1-N 3.28Å; D479-L482 VanDerWaalsContact OD2-CD1 3.3Å; D479-L482 WeakPolarHBondContact OD2-CD1 3.48Å; D479-L482 WeakPolarHBondContact OD2-CG 3.3Å; L482-L485 HydrophobicContact CD2-CD1 4.26Å; L482-L485 WeakPolarHBondContact O-CB 3.34Å; L482-L485 PolarHBondContact O-N 3.38Å; L482-R486 PolarHBondContact O-N 2.9Å; L482-R554 HydrophobicContact CD2-CG 3.74Å; L482-R554 HydrophobicContact CG-CG 3.82Å; L482-V558 HydrophobicContact CD2-CG2 3.96Å
483	H	93.6	Very high	93.8	Very high	42 Å²	42	31.9 Å²	31.9	19%	0.194	17%	0.166	C	C	.	.	H	α-helix	trans	-66.2	-39.7	176.8	-172.5	77.2	0	0	0	112	D200 A477 D479 N480 S481 L485 R486 K487	D200-H483 IonicContact OD2-CE1 2.67Å; D200-H483 PolarHBondContact OD2-CE1 2.86Å; D200-H483 IonicContact OD2-NE2 3.56Å; A477-H483 HydrophobicContact CB-CB 4.15Å; D479-H483 PolarHBondContact O-N 3.28Å; N480-H483 PolarHBondContact O-N 2.98Å; S481-H483 VanDerWaalsContact C-N 3.32Å; H483-L485 VanDerWaalsContact C-N 3.35Å; H483-R486 WeakPolarHBondContact O-CB 3.37Å; H483-R486 PolarHBondContact O-N 3.29Å; H483-K487 PolarHBondContact CD2-NZ 3.05Å; H483-K487 WeakPolarHBondContact NE2-CE 3.43Å; H483-K487 PolarHBondContact NE2-NZ 2.96Å; H483-K487 PolarHBondContact O-N 3.4Å
484	E	93.9	Very high	93.9	Very high	65 Å²	65	33.8 Å²	33.8	30%	0.304	17%	0.174	S	C	.	.	H	α-helix	trans	-63.2	-39.5	170.7	-67.8	-54.2	135.2	0	0	112.1	N480 S481 K487 A488 I551	N480-E484 WeakPolarHBondContact O-CG 3.32Å; N480-E484 PolarHBondContact O-N 3.31Å; S481-E484 PolarHBondContact O-N 3.32Å; E484-K487 PolarHBondContact O-N 3.23Å; E484-A488 WeakPolarHBondContact O-CB 3.42Å; E484-A488 PolarHBondContact O-N 3.45Å; E484-I551 HydrophobicContact CB-CD1 4.07Å; E484-I551 HydrophobicContact CB-CG1 4.41Å; E484-I551 HydrophobicContact CG-CD1 4.44Å
485	L	95.7	Very high	94	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-63.8	-39	174	-74.1	167.7	0	0	0	112.3	L474 S481 L482 H483 A488 C489 A525 A528 I551 A555	L474-L485 HydrophobicContact CD1-CB 4.27Å; L474-L485 HydrophobicContact CD1-CD1 4.28Å; L474-L485 HydrophobicContact CD2-CB 4.11Å; L474-L485 HydrophobicContact CG-CB 3.9Å; S481-L485 WeakPolarHBondContact O-CG 3.33Å; S481-L485 PolarHBondContact O-N 2.87Å; L482-L485 HydrophobicContact CD2-CD1 4.26Å; L482-L485 WeakPolarHBondContact O-CB 3.34Å; L482-L485 PolarHBondContact O-N 3.38Å; H483-L485 VanDerWaalsContact C-N 3.35Å; L485-A488 PolarHBondContact O-N 2.9Å; L485-C489 VanDerWaalsContact O-CB 3.27Å; L485-C489 WeakPolarHBondContact O-CB 3.41Å; L485-C489 PolarHBondContact O-N 3.49Å; L485-A525 HydrophobicContact CD2-CB 3.95Å; L485-A528 HydrophobicContact CD2-CB 4.03Å; L485-I551 HydrophobicContact CD2-CG2 3.8Å; L485-I551 HydrophobicContact CG-CG2 4.07Å; L485-A555 HydrophobicContact CD1-CB 4.22Å
486	R	95.7	Very high	94	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-60.9	-49.8	174.3	172.6	179.6	153.5	169.5	-15.3	111.4	L324 A325 N326 L474 F475 L482 H483 A488 C489 F490	L324-R486 VanDerWaalsContact C-NH2 3.28Å; L324-R486 PolarHBondContact O-NH2 3.3Å; A325-R486 PolarHBondContact O-NH1 3.06Å; A325-R486 PolarHBondContact O-NH2 2.89Å; N326-R486 PolarHBondContact OD1-NH1 2.92Å; N326-R486 PolarHBondContact OD1-NH2 2.96Å; L474-R486 WeakPolarHBondContact O-CB 3.5Å; F475-R486 HydrophobicContact CD1-CG 4.12Å; F475-R486 PolarHBondContact O-NH1 3.07Å; L482-R486 PolarHBondContact O-N 2.9Å; H483-R486 WeakPolarHBondContact O-CB 3.37Å; H483-R486 PolarHBondContact O-N 3.29Å; R486-A488 PolarHBondContact O-N 3.47Å; R486-C489 WeakPolarHBondContact O-CB 3.05Å; R486-C489 PolarHBondContact O-N 3.34Å; R486-F490 PolarHBondContact O-N 2.74Å
487	K	94.8	Very high	94.1	Very high	74 Å²	74	41.5 Å²	41.5	32%	0.322	23%	0.233	S	C	.	.	H	α-helix	trans	-58.9	-47.5	176.5	-74	177.5	177.2	164.1	0	111.5	H483 E484 C489 F490 Q491	H483-K487 PolarHBondContact CD2-NZ 3.05Å; H483-K487 WeakPolarHBondContact NE2-CE 3.43Å; H483-K487 PolarHBondContact NE2-NZ 2.96Å; H483-K487 PolarHBondContact O-N 3.4Å; E484-K487 PolarHBondContact O-N 3.23Å; K487-C489 VanDerWaalsContact C-N 3.3Å; K487-C489 PolarHBondContact O-N 2.87Å; K487-F490 PolarHBondContact O-N 3.01Å; K487-Q491 WeakPolarHBondContact O-CG 3.34Å; K487-Q491 PolarHBondContact O-N 2.96Å
488	A	96.3	Very high	94.5	Very high	2 Å²	2	44.2 Å²	44.2	2%	0.017	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-37.1	177.5	0	0	0	0	0	112.4	E484 L485 R486 Q491 Y492 V524 A528	E484-A488 WeakPolarHBondContact O-CB 3.42Å; E484-A488 PolarHBondContact O-N 3.45Å; L485-A488 PolarHBondContact O-N 2.9Å; R486-A488 PolarHBondContact O-N 3.47Å; A488-Q491 PolarHBondContact O-N 3.37Å; A488-Y492 WeakPolarHBondContact O-CB 3.39Å; A488-Y492 PolarHBondContact O-N 3.34Å; A488-V524 HydrophobicContact CB-CG1 4.3Å; A488-A528 HydrophobicContact CB-CB 3.5Å
489	C	96.9	Very high	94.9	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.034	23%	0.231	C	C	.	.	H	α-helix	trans	-61.4	-47.3	175.8	-170.3	0	0	0	0	111.3	L474 F475 L485 R486 K487 Y492 F493 V524	L474-C489 HydrophobicContact CD2-CB 4.44Å; F475-C489 HydrophobicContact CE1-CB 4.45Å; L485-C489 VanDerWaalsContact O-CB 3.27Å; L485-C489 WeakPolarHBondContact O-CB 3.41Å; L485-C489 PolarHBondContact O-N 3.49Å; R486-C489 WeakPolarHBondContact O-CB 3.05Å; R486-C489 PolarHBondContact O-N 3.34Å; K487-C489 VanDerWaalsContact C-N 3.3Å; K487-C489 PolarHBondContact O-N 2.87Å; C489-Y492 WeakPolarHBondContact O-CB 3.45Å; C489-Y492 PolarHBondContact O-N 3.34Å; C489-F493 VanDerWaalsContact O-CD2 3.3Å; C489-F493 WeakPolarHBondContact O-CD2 3.49Å; C489-F493 PolarHBondContact O-N 3.25Å; C489-V524 HydrophobicContact CB-CG1 3.85Å
490	F	96.6	Very high	95.1	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-46.6	176.5	178.7	-101.8	0	0	0	112.2	I196 D198 S203 V205 L324 R486 K487 Y492 F493 K494	I196-F490 HydrophobicContact CB-CE2 4.44Å; I196-F490 HydrophobicContact CG2-CD2 3.96Å; I196-F490 HydrophobicContact CG2-CE2 4.16Å; D198-F490 HydrophobicContact CB-CD1 3.81Å; D198-F490 HydrophobicContact CB-CD2 3.83Å; D198-F490 HydrophobicContact CB-CE1 3.59Å; D198-F490 HydrophobicContact CB-CE2 3.62Å; D198-F490 HydrophobicContact CB-CG 3.92Å; D198-F490 HydrophobicContact CB-CZ 3.51Å; S203-F490 VanDerWaalsContact O-CZ 3.29Å; S203-F490 WeakPolarHBondContact O-CZ 3.38Å; S203-F490 WeakPolarHBondContact OG-CE1 3.2Å; V205-F490 HydrophobicContact CB-CE2 4.26Å; V205-F490 HydrophobicContact CG1-CD2 4Å; V205-F490 HydrophobicContact CG1-CE2 3.66Å; V205-F490 HydrophobicContact CG1-CZ 4.44Å; L324-F490 HydrophobicContact CD1-CB 4.28Å; L324-F490 HydrophobicContact CD1-CD2 4.16Å; L324-F490 HydrophobicContact CD1-CG 4.5Å; R486-F490 PolarHBondContact O-N 2.74Å; K487-F490 PolarHBondContact O-N 3.01Å; F490-Y492 VanDerWaalsContact C-N 3.28Å; F490-Y492 PolarHBondContact O-N 3.12Å; F490-F493 PolarHBondContact O-N 3.39Å; F490-K494 HydrophobicContact CE1-CD 4.24Å; F490-K494 PolarHBondContact O-N 3Å
491	Q	96.1	Very high	95.2	Very high	58 Å²	58	37.7 Å²	37.7	27%	0.271	22%	0.217	S	C	.	.	H	α-helix	trans	-65.2	-31.7	176.1	-64.5	-60.8	-32.9	0	0	112.6	K487 A488 F493 K494 L495 Y527 F531	K487-Q491 WeakPolarHBondContact O-CG 3.34Å; K487-Q491 PolarHBondContact O-N 2.96Å; A488-Q491 PolarHBondContact O-N 3.37Å; Q491-F493 VanDerWaalsContact C-N 3.32Å; Q491-F493 PolarHBondContact O-N 2.97Å; Q491-K494 WeakPolarHBondContact O-CB 3.44Å; Q491-K494 PolarHBondContact O-N 2.88Å; Q491-K494 VanDerWaalsContact O-N 3.15Å; Q491-L495 PolarHBondContact O-N 2.78Å; Q491-Y527 HydrophobicContact CB-CE1 3.86Å; Q491-F531 HydrophobicContact CB-CE2 3.75Å; Q491-F531 HydrophobicContact CB-CZ 3.98Å; Q491-F531 HydrophobicContact CG-CE2 4.13Å; Q491-F531 HydrophobicContact CG-CZ 4.14Å
492	Y	97.1	Very high	95.3	Very high	21 Å²	21	37.1 Å²	37.1	8%	0.082	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-40.4	176.8	-177.1	-99.5	0	0	0	111	A488 C489 F490 K494 L495 C499 P503 H520 A523 V524 Y527	A488-Y492 WeakPolarHBondContact O-CB 3.39Å; A488-Y492 PolarHBondContact O-N 3.34Å; C489-Y492 WeakPolarHBondContact O-CB 3.45Å; C489-Y492 PolarHBondContact O-N 3.34Å; F490-Y492 VanDerWaalsContact C-N 3.28Å; F490-Y492 PolarHBondContact O-N 3.12Å; Y492-K494 VanDerWaalsContact C-N 3.29Å; Y492-K494 PolarHBondContact O-N 2.89Å; Y492-L495 HydrophobicContact CD2-CD1 4.05Å; Y492-L495 VanDerWaalsContact O-CB 3.31Å; Y492-L495 WeakPolarHBondContact O-CB 3.3Å; Y492-L495 PolarHBondContact O-N 2.92Å; Y492-L495 VanDerWaalsContact O-N 3.16Å; Y492-C499 HydrophobicContact CD1-CB 3.82Å; Y492-C499 HydrophobicContact CD2-CB 4.42Å; Y492-C499 HydrophobicContact CE1-CB 3.48Å; Y492-C499 VanDerWaalsContact CE1-CB 3.48Å; Y492-C499 HydrophobicContact CE2-CB 4.11Å; Y492-C499 HydrophobicContact CG-CB 4.28Å; Y492-C499 VanDerWaalsContact CZ-SG 3.5Å; Y492-C499 WeakPolarHBondContact O-CB 3.31Å; Y492-P503 HydrophobicContact CE1-CG 4.4Å; Y492-H520 AromaticContact CE1-ND1 3.78Å; Y492-H520 AromaticContact CZ-ND1 3.72Å; Y492-H520 PolarHBondContact OH-CE1 3.21Å; Y492-H520 PolarHBondContact OH-ND1 2.93Å; Y492-A523 HydrophobicContact CE2-CB 4Å; Y492-V524 HydrophobicContact CD1-CG2 3.76Å; Y492-V524 HydrophobicContact CD2-CG2 4.21Å; Y492-V524 HydrophobicContact CE1-CG2 4.29Å; Y492-V524 HydrophobicContact CG-CG2 3.71Å; Y492-Y527 HydrophobicContact CD2-CD1 4.19Å
493	F	96.8	Very high	95.4	Very high	21 Å²	21	38.2 Å²	38.2	9%	0.092	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-36.7	173.8	-62.1	-44.2	0	0	0	112.3	I196 V205 I207 C489 F490 Q491 L495 G496 C499 I500 P503	I196-F493 HydrophobicContact CD1-CD2 3.86Å; I196-F493 HydrophobicContact CD1-CE2 3.79Å; V205-F493 HydrophobicContact CG1-CB 4Å; V205-F493 HydrophobicContact CG1-CD2 4.49Å; V205-F493 HydrophobicContact CG2-CB 4Å; I207-F493 HydrophobicContact CD1-CB 3.83Å; I207-F493 HydrophobicContact CD1-CD1 4.19Å; I207-F493 HydrophobicContact CD1-CD2 4.35Å; I207-F493 HydrophobicContact CD1-CG 3.88Å; C489-F493 VanDerWaalsContact O-CD2 3.3Å; C489-F493 WeakPolarHBondContact O-CD2 3.49Å; C489-F493 PolarHBondContact O-N 3.25Å; F490-F493 PolarHBondContact O-N 3.39Å; Q491-F493 VanDerWaalsContact C-N 3.32Å; Q491-F493 PolarHBondContact O-N 2.97Å; F493-L495 PolarHBondContact O-N 2.96Å; F493-L495 VanDerWaalsContact O-N 3.14Å; F493-G496 PolarHBondContact O-N 3.31Å; F493-C499 WeakPolarHBondContact CD1-O 3.27Å; F493-I500 HydrophobicContact CB-CG1 4.48Å; F493-I500 VanDerWaalsContact O-CD1 3.3Å; F493-I500 WeakPolarHBondContact O-CD1 3.43Å; F493-I500 VanDerWaalsContact O-CG1 3.23Å; F493-I500 WeakPolarHBondContact O-CG1 3.36Å; F493-P503 HydrophobicContact CE1-CB 3.88Å; F493-P503 HydrophobicContact CE1-CG 4.13Å
494	K	95.9	Very high	95.5	Very high	87 Å²	87	36.4 Å²	36.4	38%	0.378	21%	0.214	S	C	.	.	H	α-helix	trans	-63.9	-16.5	176.5	-68	-167.9	171.8	-173.6	0	114.5	S203 E204 V205 F490 Q491 Y492 G496	S203-K494 VanDerWaalsContact CB-NZ 3.28Å; S203-K494 PolarHBondContact OG-NZ 3.1Å; E204-K494 WeakPolarHBondContact O-CE 3.22Å; V205-K494 HydrophobicContact CB-CG 4.22Å; V205-K494 HydrophobicContact CG2-CG 4.21Å; F490-K494 HydrophobicContact CE1-CD 4.24Å; F490-K494 PolarHBondContact O-N 3Å; Q491-K494 WeakPolarHBondContact O-CB 3.44Å; Q491-K494 PolarHBondContact O-N 2.88Å; Q491-K494 VanDerWaalsContact O-N 3.15Å; Y492-K494 VanDerWaalsContact C-N 3.29Å; Y492-K494 PolarHBondContact O-N 2.89Å; K494-G496 PolarHBondContact O-N 3.24Å
495	L	95.8	Very high	95.6	Very high	95 Å²	95	33.5 Å²	33.5	50%	0.497	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.1	172.8	-60.9	177.1	0	0	0	112.9	Q491 Y492 F493 C499 Y527	Q491-L495 PolarHBondContact O-N 2.78Å; Y492-L495 HydrophobicContact CD2-CD1 4.05Å; Y492-L495 VanDerWaalsContact O-CB 3.31Å; Y492-L495 WeakPolarHBondContact O-CB 3.3Å; Y492-L495 PolarHBondContact O-N 2.92Å; Y492-L495 VanDerWaalsContact O-N 3.16Å; F493-L495 PolarHBondContact O-N 2.96Å; F493-L495 VanDerWaalsContact O-N 3.14Å; L495-C499 HydrophobicContact CB-CB 4.1Å; L495-Y527 HydrophobicContact CD1-CE1 3.98Å; L495-Y527 HydrophobicContact CD1-CE2 4.37Å; L495-Y527 HydrophobicContact CG-CE1 4.39Å
496	G	94.1	Very high	95.7	Very high	21 Å²	21	33.6 Å²	33.6	22%	0.216	20%	0.203	C	C	.	.			trans	65.7	-165.8	179.2	0	0	0	0	0	113.8	F493 K494 S498 C499	F493-G496 PolarHBondContact O-N 3.31Å; K494-G496 PolarHBondContact O-N 3.24Å; G496-S498 PolarHBondContact O-N 2.97Å; G496-C499 VanDerWaalsContact O-CB 3.3Å; G496-C499 WeakPolarHBondContact O-CB 3.4Å; G496-C499 PolarHBondContact O-N 3.25Å; G496-C499 VanDerWaalsContact O-N 3.07Å
497	G	95	Very high	95.8	Very high	57 Å²	57	35.3 Å²	35.3	59%	0.588	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	-130.4	177.9	0	0	0	0	0	112.9	C499 I500 T501	G497-C499 PolarHBondContact O-N 3.38Å; G497-I500 PolarHBondContact O-N 3.28Å; G497-I500 VanDerWaalsContact O-N 3.12Å; G497-T501 WeakPolarHBondContact O-CG2 3.5Å; G497-T501 PolarHBondContact O-N 3.48Å; G497-T501 PolarHBondContact O-OG1 2.91Å
498	S	94.6	Very high	95.9	Very high	78 Å²	78	31.8 Å²	31.8	55%	0.545	20%	0.196	S	C	.	.	H	α-helix	trans	-62.5	-23.1	179.4	58	0	0	0	0	113.8	G496 I500 T501 G502 P503 H520	G496-S498 PolarHBondContact O-N 2.97Å; S498-I500 PolarHBondContact O-N 3.49Å; S498-T501 WeakPolarHBondContact CA-OG1 3.47Å; S498-G502 PolarHBondContact O-N 3.16Å; S498-G502 VanDerWaalsContact O-N 3.12Å; S498-P503 WeakPolarHBondContact O-CD 3.35Å; S498-H520 PolarHBondContact O-CE1 2.84Å
499	C	95.2	Very high	95.9	Very high	16 Å²	16	32 Å²	32	11%	0.108	20%	0.198	C	C	.	.	H	α-helix	trans	-71.1	-16.3	178	-52.8	0	0	0	0	112.5	Y492 F493 L495 G496 G497 P503	Y492-C499 HydrophobicContact CD1-CB 3.82Å; Y492-C499 HydrophobicContact CD2-CB 4.42Å; Y492-C499 HydrophobicContact CE1-CB 3.48Å; Y492-C499 VanDerWaalsContact CE1-CB 3.48Å; Y492-C499 HydrophobicContact CE2-CB 4.11Å; Y492-C499 HydrophobicContact CG-CB 4.28Å; Y492-C499 VanDerWaalsContact CZ-SG 3.5Å; Y492-C499 WeakPolarHBondContact O-CB 3.31Å; F493-C499 WeakPolarHBondContact CD1-O 3.27Å; L495-C499 HydrophobicContact CB-CB 4.1Å; G496-C499 VanDerWaalsContact O-CB 3.3Å; G496-C499 WeakPolarHBondContact O-CB 3.4Å; G496-C499 PolarHBondContact O-N 3.25Å; G496-C499 VanDerWaalsContact O-N 3.07Å; G497-C499 PolarHBondContact O-N 3.38Å; C499-P503 WeakPolarHBondContact O-CD 3.46Å; C499-P503 WeakPolarHBondContact O-CG 3.43Å
500	I	94.6	Very high	95.9	Very high	24 Å²	24	32.7 Å²	32.7	12%	0.123	20%	0.201	C	C	.	.	H	α-helix	trans	-104.3	-51.8	169.9	-65.4	-179.1	0	0	0	110.5	I207 F493 G497 S498 G502 P503 I504	I207-I500 HydrophobicContact CD1-CD1 4.32Å; I207-I500 HydrophobicContact CD1-CG1 4.21Å; I207-I500 HydrophobicContact CD1-CG2 4.31Å; I207-I500 HydrophobicContact CG2-CG2 4.21Å; F493-I500 HydrophobicContact CB-CG1 4.48Å; F493-I500 VanDerWaalsContact O-CD1 3.3Å; F493-I500 WeakPolarHBondContact O-CD1 3.43Å; F493-I500 VanDerWaalsContact O-CG1 3.23Å; F493-I500 WeakPolarHBondContact O-CG1 3.36Å; G497-I500 PolarHBondContact O-N 3.28Å; G497-I500 VanDerWaalsContact O-N 3.12Å; S498-I500 PolarHBondContact O-N 3.49Å; I500-G502 VanDerWaalsContact C-N 3.31Å; I500-G502 PolarHBondContact O-N 3.33Å; I500-P503 WeakPolarHBondContact O-CD 3.45Å; I500-I504 WeakPolarHBondContact O-CB 3.4Å; I500-I504 WeakPolarHBondContact O-CG2 3.31Å; I500-I504 PolarHBondContact O-N 3.48Å
501	T	94.4	Very high	95.8	Very high	94 Å²	94	35.5 Å²	35.5	58%	0.577	22%	0.221	S	C	*	.	H	α-helix	trans	-64.8	-33.7	-170.3	58.9	0	0	0	0	113.2	G497 S498 I504 G505	G497-T501 WeakPolarHBondContact O-CG2 3.5Å; G497-T501 PolarHBondContact O-N 3.48Å; G497-T501 PolarHBondContact O-OG1 2.91Å; S498-T501 WeakPolarHBondContact CA-OG1 3.47Å; T501-I504 WeakPolarHBondContact O-CG2 3.38Å; T501-G505 PolarHBondContact O-N 3.06Å
502	G	95	Very high	95.8	Very high	15 Å²	15	34.1 Å²	34.1	16%	0.155	22%	0.217	C	C	.	.	H	α-helix	trans	-66.1	-61.9	173.5	0	0	0	0	0	112	S498 I500 I504 G505 L506	S498-G502 PolarHBondContact O-N 3.16Å; S498-G502 VanDerWaalsContact O-N 3.12Å; I500-G502 VanDerWaalsContact C-N 3.31Å; I500-G502 PolarHBondContact O-N 3.33Å; G502-I504 PolarHBondContact O-N 3.16Å; G502-G505 PolarHBondContact O-N 3.4Å; G502-G505 VanDerWaalsContact O-N 3.12Å; G502-L506 PolarHBondContact O-N 3.3Å
503	P	96.2	Very high	95.7	Very high	24 Å²	24	39.4 Å²	39.4	16%	0.156	24%	0.24	C	C	.	.	H	α-helix	trans	-56.8	-40.8	178.8	-30.9	39.5	0	0	0	114.6	Y492 F493 S498 C499 I500 G505 L506 L507 H520	Y492-P503 HydrophobicContact CE1-CG 4.4Å; F493-P503 HydrophobicContact CE1-CB 3.88Å; F493-P503 HydrophobicContact CE1-CG 4.13Å; S498-P503 WeakPolarHBondContact O-CD 3.35Å; C499-P503 WeakPolarHBondContact O-CD 3.46Å; C499-P503 WeakPolarHBondContact O-CG 3.43Å; I500-P503 WeakPolarHBondContact O-CD 3.45Å; P503-G505 VanDerWaalsContact C-N 3.31Å; P503-G505 PolarHBondContact O-N 2.94Å; P503-L506 WeakPolarHBondContact O-CB 3.47Å; P503-L506 PolarHBondContact O-N 3.43Å; P503-L506 VanDerWaalsContact O-N 3.11Å; P503-L507 PolarHBondContact O-N 3.35Å; P503-H520 HydrophobicContact CG-CB 4.28Å
504	I	95.8	Very high	95.7	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-67.8	-32	178	-164.3	51.1	0	0	0	112.1	Y194 I207 Y209 I500 T501 G502 L506 L507 S508	Y194-I504 HydrophobicContact CD2-CD1 4.41Å; I207-I504 HydrophobicContact CG2-CB 3.97Å; I207-I504 HydrophobicContact CG2-CD1 3.62Å; I207-I504 HydrophobicContact CG2-CG1 3.86Å; Y209-I504 HydrophobicContact CD1-CD1 3.65Å; Y209-I504 HydrophobicContact CD1-CG1 3.79Å; Y209-I504 HydrophobicContact CE1-CD1 3.7Å; Y209-I504 HydrophobicContact CE1-CG1 4.35Å; I500-I504 WeakPolarHBondContact O-CB 3.4Å; I500-I504 WeakPolarHBondContact O-CG2 3.31Å; I500-I504 PolarHBondContact O-N 3.48Å; T501-I504 WeakPolarHBondContact O-CG2 3.38Å; G502-I504 PolarHBondContact O-N 3.16Å; I504-L506 PolarHBondContact O-N 3.09Å; I504-L507 HydrophobicContact CD1-CB 4.28Å; I504-L507 HydrophobicContact CD1-CD2 3.93Å; I504-L507 HydrophobicContact CD1-CG 4.49Å; I504-L507 PolarHBondContact O-N 2.82Å; I504-S508 WeakPolarHBondContact O-CB 3.31Å; I504-S508 PolarHBondContact O-N 3Å; I504-S508 PolarHBondContact O-OG 3.13Å
505	G	96.2	Very high	95.7	Very high	5 Å²	5	42.5 Å²	42.5	5%	0.052	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-30.4	171.9	0	0	0	0	0	113.2	T501 G502 P503 S508 L510 S511	T501-G505 PolarHBondContact O-N 3.06Å; G502-G505 PolarHBondContact O-N 3.4Å; G502-G505 VanDerWaalsContact O-N 3.12Å; P503-G505 VanDerWaalsContact C-N 3.31Å; P503-G505 PolarHBondContact O-N 2.94Å; G505-S508 PolarHBondContact O-OG 3.35Å; G505-L510 PolarHBondContact O-N 2.84Å; G505-S511 PolarHBondContact O-N 3.28Å
506	L	97.3	Very high	95.7	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-77.8	-48.9	174.6	-57.7	170.6	0	0	0	111.5	V463 L467 G502 P503 I504 S508 V509 T516 L517	V463-L506 HydrophobicContact CG1-CB 3.74Å; V463-L506 HydrophobicContact CG1-CD2 3.7Å; V463-L506 HydrophobicContact CG1-CG 4.29Å; V463-L506 HydrophobicContact CG2-CD2 4.12Å; L467-L506 HydrophobicContact CD2-CB 4.06Å; G502-L506 PolarHBondContact O-N 3.3Å; P503-L506 WeakPolarHBondContact O-CB 3.47Å; P503-L506 PolarHBondContact O-N 3.43Å; P503-L506 VanDerWaalsContact O-N 3.11Å; I504-L506 PolarHBondContact O-N 3.09Å; L506-S508 PolarHBondContact O-N 3.34Å; L506-V509 PolarHBondContact O-N 3.41Å; L506-V509 VanDerWaalsContact O-N 3.13Å; L506-T516 HydrophobicContact CD1-CG2 4.33Å; L506-T516 HydrophobicContact CD2-CG2 4.3Å; L506-T516 HydrophobicContact CG-CG2 4.46Å; L506-L517 VanDerWaalsContact CD1-CA 3.48Å; L506-L517 HydrophobicContact CD1-CB 3.83Å; L506-L517 HydrophobicContact CD1-CD1 3.98Å; L506-L517 HydrophobicContact CD2-CB 4.28Å
507	L	96.6	Very high	95.9	Very high	36 Å²	36	39.5 Å²	39.5	19%	0.188	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-44.6	-180	179.7	65.5	0	0	0	111.9	Y194 T415 L467 P503 I504 V509	Y194-L507 HydrophobicContact CD2-CD2 4.04Å; Y194-L507 HydrophobicContact CE2-CD2 3.75Å; T415-L507 HydrophobicContact CG2-CD1 3.69Å; L467-L507 HydrophobicContact CD2-CB 4.29Å; L467-L507 HydrophobicContact CD2-CD1 4.47Å; P503-L507 PolarHBondContact O-N 3.35Å; I504-L507 HydrophobicContact CD1-CB 4.28Å; I504-L507 HydrophobicContact CD1-CD2 3.93Å; I504-L507 HydrophobicContact CD1-CG 4.49Å; I504-L507 PolarHBondContact O-N 2.82Å; L507-V509 PolarHBondContact O-N 3.24Å
508	S	96.9	Very high	95.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-11.5	177.5	62.6	0	0	0	0	113.8	G169 I504 G505 L506 L510	G169-S508 WeakPolarHBondContact CA-O 3.47Å; G169-S508 PolarHBondContact N-O 3.07Å; I504-S508 WeakPolarHBondContact O-CB 3.31Å; I504-S508 PolarHBondContact O-N 3Å; I504-S508 PolarHBondContact O-OG 3.13Å; G505-S508 PolarHBondContact O-OG 3.35Å; L506-S508 PolarHBondContact O-N 3.34Å; S508-L510 PolarHBondContact O-N 3.44Å; S508-L510 WeakPolarHBondContact OG-CD1 3.32Å; S508-L510 WeakPolarHBondContact OG-CG 3.41Å; S508-L510 PolarHBondContact OG-N 2.87Å
509	V	97.3	Very high	96.1	Very high	8 Å²	8	37 Å²	37	5%	0.048	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	19.4	-174.6	-154.9	0	0	0	0	113	Q167 H460 V464 L506 L507 P512	Q167-V509 HydrophobicContact CB-CG2 4.46Å; H460-V509 HydrophobicContact CB-CG1 3.9Å; V464-V509 HydrophobicContact CG2-CB 4.44Å; V464-V509 HydrophobicContact CG2-CG1 3.9Å; V464-V509 HydrophobicContact CG2-CG2 3.6Å; L506-V509 PolarHBondContact O-N 3.41Å; L506-V509 VanDerWaalsContact O-N 3.13Å; L507-V509 PolarHBondContact O-N 3.24Å; V509-P512 HydrophobicContact CG1-CB 4.26Å; V509-P512 HydrophobicContact CG1-CG 4.38Å
510	L	96.1	Very high	96.2	Very high	18 Å²	18	37.8 Å²	37.8	9%	0.094	22%	0.221	C	C	.	.	S	Bend	trans	-80.8	-28.9	176.5	-67	171.2	0	0	0	112.6	P168 P210 Q217 G505 S508	P168-L510 HydrophobicContact CB-CD1 3.76Å; P168-L510 HydrophobicContact CB-CD2 3.86Å; P168-L510 HydrophobicContact CB-CG 3.88Å; P168-L510 HydrophobicContact CG-CD1 4.45Å; P210-L510 HydrophobicContact CG-CD1 3.37Å; Q217-L510 HydrophobicContact CB-CD1 3.63Å; Q217-L510 HydrophobicContact CB-CD2 4.47Å; Q217-L510 HydrophobicContact CG-CD1 4.24Å; G505-L510 PolarHBondContact O-N 2.84Å; S508-L510 PolarHBondContact O-N 3.44Å; S508-L510 WeakPolarHBondContact OG-CD1 3.32Å; S508-L510 WeakPolarHBondContact OG-CG 3.41Å; S508-L510 PolarHBondContact OG-N 2.87Å
511	S	94.8	Very high	96.3	Very high	61 Å²	61	37.7 Å²	37.7	43%	0.427	22%	0.219	S	C	.	.	S	Bend	trans	-135	64.9	177.6	-71.9	0	0	0	0	111	G505 K513	G505-S511 PolarHBondContact O-N 3.28Å; S511-K513 VanDerWaalsContact C-N 3.27Å; S511-K513 PolarHBondContact O-N 2.85Å
512	P	95.8	Very high	96.4	Very high	29 Å²	29	35.5 Å²	35.5	19%	0.188	20%	0.202	C	C	.	.			trans	-76	75.3	-174.4	33.3	-35.9	0	0	0	111.5	S459 H460 V463 V509	S459-P512 WeakPolarHBondContact CA-O 3.19Å; H460-P512 HydrophobicContact CB-CB 4.41Å; H460-P512 HydrophobicContact CB-CG 4.43Å; V463-P512 HydrophobicContact CB-CB 3.99Å; V463-P512 HydrophobicContact CG1-CB 4.35Å; V463-P512 VanDerWaalsContact CG2-C 3.45Å; V463-P512 HydrophobicContact CG2-CB 4.06Å; V509-P512 HydrophobicContact CG1-CB 4.26Å; V509-P512 HydrophobicContact CG1-CG 4.38Å
513	K	96.3	Very high	96.6	Very high	132 Å²	132	36.4 Å²	36.4	57%	0.574	21%	0.208	S	C	*	.			trans	-101.1	114.8	179	-66.7	180	-178	175.9	0	111	S511 M515 T516 L517	S511-K513 VanDerWaalsContact C-N 3.27Å; S511-K513 PolarHBondContact O-N 2.85Å; K513-M515 VanDerWaalsContact C-N 3.34Å; K513-M515 PolarHBondContact O-N 3.49Å; K513-T516 WeakPolarHBondContact O-CB 3.33Å; K513-T516 PolarHBondContact O-N 2.97Å; K513-T516 VanDerWaalsContact O-N 3.12Å; K513-L517 PolarHBondContact O-N 3.39Å
514	P	95.8	Very high	96.6	Very high	27 Å²	27	35.8 Å²	35.8	18%	0.175	20%	0.203	C	C	.	.	H	α-helix	trans	-52.6	-44	-179.7	-32.6	38.2	0	0	0	114.9	S458 F462 T516 L517 I518	S458-P514 WeakPolarHBondContact O-CD 3.3Å; F462-P514 HydrophobicContact CB-CG 4.18Å; F462-P514 HydrophobicContact CD1-CB 3.53Å; F462-P514 HydrophobicContact CD1-CG 3.82Å; F462-P514 HydrophobicContact CE1-CB 3.6Å; F462-P514 HydrophobicContact CE1-CG 4.39Å; F462-P514 HydrophobicContact CG-CB 4.04Å; F462-P514 HydrophobicContact CG-CG 3.98Å; F462-P514 HydrophobicContact CZ-CB 4.15Å; P514-T516 VanDerWaalsContact C-N 3.32Å; P514-T516 PolarHBondContact O-N 2.9Å; P514-L517 WeakPolarHBondContact O-CB 3.35Å; P514-L517 PolarHBondContact O-N 3.45Å; P514-I518 WeakPolarHBondContact O-CG1 3.47Å; P514-I518 PolarHBondContact O-N 3.35Å; P514-I518 VanDerWaalsContact O-N 3.09Å
515	M	96.1	Very high	96.7	Very high	145 Å²	145	35.6 Å²	35.6	71%	0.714	20%	0.203	S	C	*	.	H	α-helix	trans	-67.8	-32.4	-178.6	-65.5	-53.8	-62.2	0	0	112.9	K513 I518 G519	K513-M515 VanDerWaalsContact C-N 3.34Å; K513-M515 PolarHBondContact O-N 3.49Å; M515-I518 HydrophobicContact SD-CD1 4.29Å; M515-G519 PolarHBondContact O-N 3.04Å
516	T	96.3	Very high	96.7	Very high	49 Å²	49	39.5 Å²	39.5	30%	0.301	22%	0.222	S	C	.	.	H	α-helix	trans	-66.1	-41.8	174.7	-58.1	0	0	0	0	110.5	L506 K513 P514 G519 H520	L506-T516 HydrophobicContact CD1-CG2 4.33Å; L506-T516 HydrophobicContact CD2-CG2 4.3Å; L506-T516 HydrophobicContact CG-CG2 4.46Å; K513-T516 WeakPolarHBondContact O-CB 3.33Å; K513-T516 PolarHBondContact O-N 2.97Å; K513-T516 VanDerWaalsContact O-N 3.12Å; P514-T516 VanDerWaalsContact C-N 3.32Å; P514-T516 PolarHBondContact O-N 2.9Å; T516-G519 PolarHBondContact O-N 3.41Å; T516-H520 PolarHBondContact O-CD2 3.1Å; T516-H520 PolarHBondContact O-N 3.3Å
517	L	97.1	Very high	96.7	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-59.6	-51	174.4	174.3	61.8	0	0	0	112	F462 V466 L467 L506 K513 P514 G519 H520 F521	F462-L517 HydrophobicContact CD1-CD2 4.31Å; F462-L517 HydrophobicContact CE1-CD2 4.13Å; V466-L517 HydrophobicContact CB-CD2 3.79Å; V466-L517 HydrophobicContact CG1-CD2 3.79Å; L467-L517 HydrophobicContact CB-CD1 4.04Å; L467-L517 HydrophobicContact CB-CD2 4.33Å; L467-L517 HydrophobicContact CD1-CD1 3.62Å; L467-L517 HydrophobicContact CG-CD1 4.39Å; L506-L517 VanDerWaalsContact CD1-CA 3.48Å; L506-L517 HydrophobicContact CD1-CB 3.83Å; L506-L517 HydrophobicContact CD1-CD1 3.98Å; L506-L517 HydrophobicContact CD2-CB 4.28Å; K513-L517 PolarHBondContact O-N 3.39Å; P514-L517 WeakPolarHBondContact O-CB 3.35Å; P514-L517 PolarHBondContact O-N 3.45Å; L517-G519 VanDerWaalsContact C-N 3.32Å; L517-G519 PolarHBondContact O-N 2.96Å; L517-H520 PolarHBondContact O-N 3.47Å; L517-F521 WeakPolarHBondContact O-CB 3.34Å; L517-F521 PolarHBondContact O-N 2.87Å
518	I	96.4	Very high	96.6	Very high	38 Å²	38	39.8 Å²	39.8	20%	0.195	22%	0.221	C	C	.	.	H	α-helix	trans	-60	-45.6	179.7	-64.4	170.3	0	0	0	110.2	F462 P514 M515 F521 F522 I563	F462-I518 HydrophobicContact CZ-CD1 4.17Å; P514-I518 WeakPolarHBondContact O-CG1 3.47Å; P514-I518 PolarHBondContact O-N 3.35Å; P514-I518 VanDerWaalsContact O-N 3.09Å; M515-I518 HydrophobicContact SD-CD1 4.29Å; I518-F521 PolarHBondContact O-N 3.47Å; I518-F522 HydrophobicContact CG2-CD2 3.8Å; I518-F522 HydrophobicContact CG2-CE2 4.01Å; I518-F522 WeakPolarHBondContact O-CD2 3.35Å; I518-F522 PolarHBondContact O-N 3.43Å; I518-I563 HydrophobicContact CD1-CD1 3.88Å; I518-I563 HydrophobicContact CG1-CD1 3.98Å
519	G	97.5	Very high	96.5	Very high	44 Å²	44	40.9 Å²	40.9	45%	0.454	23%	0.227	S	C	.	.	H	α-helix	trans	-58.7	-51.7	179.3	0	0	0	0	0	113	M515 T516 L517 F521 F522 A523	M515-G519 PolarHBondContact O-N 3.04Å; T516-G519 PolarHBondContact O-N 3.41Å; L517-G519 VanDerWaalsContact C-N 3.32Å; L517-G519 PolarHBondContact O-N 2.96Å; G519-F521 PolarHBondContact O-N 3Å; G519-F522 PolarHBondContact O-N 3.31Å; G519-A523 WeakPolarHBondContact O-CB 3.45Å; G519-A523 PolarHBondContact O-N 2.9Å
520	H	97.8	Very high	96.4	Very high	33 Å²	33	46.1 Å²	46.1	15%	0.153	25%	0.247	C	C	.	.	H	α-helix	trans	-66	-38	179.2	-76.9	-67.7	0	0	0	112.8	Y492 S498 P503 T516 L517 A523 V524	Y492-H520 AromaticContact CE1-ND1 3.78Å; Y492-H520 AromaticContact CZ-ND1 3.72Å; Y492-H520 PolarHBondContact OH-CE1 3.21Å; Y492-H520 PolarHBondContact OH-ND1 2.93Å; S498-H520 PolarHBondContact O-CE1 2.84Å; P503-H520 HydrophobicContact CG-CB 4.28Å; T516-H520 PolarHBondContact O-CD2 3.1Å; T516-H520 PolarHBondContact O-N 3.3Å; L517-H520 PolarHBondContact O-N 3.47Å; H520-A523 WeakPolarHBondContact O-CB 3.46Å; H520-A523 PolarHBondContact O-N 3.35Å; H520-V524 WeakPolarHBondContact O-CG2 3.44Å; H520-V524 PolarHBondContact O-N 3.16Å
521	F	97.4	Very high	96.2	Very high	21 Å²	21	47.8 Å²	47.8	9%	0.092	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-46.9	177.5	-178.7	-91.6	0	0	0	112.1	A470 L474 L517 I518 G519 A523 V524 A525 A555 V558 M559	A470-F521 HydrophobicContact CB-CD2 4.33Å; A470-F521 HydrophobicContact CB-CE2 3.99Å; L474-F521 HydrophobicContact CD1-CE2 4.18Å; L517-F521 WeakPolarHBondContact O-CB 3.34Å; L517-F521 PolarHBondContact O-N 2.87Å; I518-F521 PolarHBondContact O-N 3.47Å; G519-F521 PolarHBondContact O-N 3Å; F521-A523 VanDerWaalsContact C-N 3.34Å; F521-V524 PolarHBondContact O-N 3.45Å; F521-A525 PolarHBondContact O-N 2.85Å; F521-A525 VanDerWaalsContact O-N 3.07Å; F521-A555 HydrophobicContact CE1-CB 3.89Å; F521-A555 WeakPolarHBondContact CE1-O 3.3Å; F521-A555 HydrophobicContact CZ-CB 4.29Å; F521-V558 HydrophobicContact CZ-CB 4.42Å; F521-V558 HydrophobicContact CZ-CG1 4.32Å; F521-M559 HydrophobicContact CB-CE 3.48Å; F521-M559 VanDerWaalsContact CB-CE 3.48Å; F521-M559 HydrophobicContact CD1-CB 4.06Å; F521-M559 HydrophobicContact CD1-CE 3.36Å; F521-M559 HydrophobicContact CD1-CG 4.17Å; F521-M559 HydrophobicContact CD2-CE 3.33Å; F521-M559 HydrophobicContact CE1-CB 3.61Å; F521-M559 HydrophobicContact CE1-CE 3.85Å; F521-M559 HydrophobicContact CE1-CG 4.23Å; F521-M559 HydrophobicContact CE2-CE 3.81Å; F521-M559 HydrophobicContact CG-CE 3.07Å; F521-M559 HydrophobicContact CZ-CB 4.08Å; F521-M559 HydrophobicContact CZ-CE 4.05Å
522	F	96.9	Very high	96.1	Very high	49 Å²	49	45 Å²	45	22%	0.215	23%	0.234	C	C	.	.	H	α-helix	trans	-72.7	-27.1	176.9	-79.1	-71.9	0	0	0	112.8	I518 G519 A525 L526 M559 F560	I518-F522 HydrophobicContact CG2-CD2 3.8Å; I518-F522 HydrophobicContact CG2-CE2 4.01Å; I518-F522 WeakPolarHBondContact O-CD2 3.35Å; I518-F522 PolarHBondContact O-N 3.43Å; G519-F522 PolarHBondContact O-N 3.31Å; F522-A525 PolarHBondContact O-N 3.28Å; F522-L526 WeakPolarHBondContact O-CB 3.34Å; F522-L526 WeakPolarHBondContact O-CG 3.28Å; F522-L526 PolarHBondContact O-N 3.48Å; F522-M559 HydrophobicContact CE2-CG 4.2Å; F522-F560 HydrophobicContact CE2-CE1 4.22Å; F522-F560 AromaticContact CZ-CE1 3.72Å; F522-F560 HydrophobicContact CZ-CE1 3.72Å; F522-F560 HydrophobicContact CZ-CZ 4.25Å
523	A	97.8	Very high	95.9	Very high	33 Å²	33	47.2 Å²	47.2	27%	0.273	24%	0.24	S	C	.	.	H	α-helix	trans	-61.7	-43.6	169.7	0	0	0	0	0	111.5	Y492 G519 H520 F521 L526 Y527	Y492-A523 HydrophobicContact CE2-CB 4Å; G519-A523 WeakPolarHBondContact O-CB 3.45Å; G519-A523 PolarHBondContact O-N 2.9Å; H520-A523 WeakPolarHBondContact O-CB 3.46Å; H520-A523 PolarHBondContact O-N 3.35Å; F521-A523 VanDerWaalsContact C-N 3.34Å; A523-L526 PolarHBondContact O-N 3.44Å; A523-Y527 VanDerWaalsContact O-CB 3.32Å; A523-Y527 WeakPolarHBondContact O-CB 3.19Å; A523-Y527 PolarHBondContact O-N 3.33Å
524	V	97.4	Very high	95.6	Very high	11 Å²	11	47.4 Å²	47.4	7%	0.067	24%	0.241	C	C	.	.	H	α-helix	trans	-61.5	-43	173.1	170.7	0	0	0	0	111.2	A488 C489 Y492 H520 F521 L526 Y527 A528	A488-V524 HydrophobicContact CB-CG1 4.3Å; C489-V524 HydrophobicContact CB-CG1 3.85Å; Y492-V524 HydrophobicContact CD1-CG2 3.76Å; Y492-V524 HydrophobicContact CD2-CG2 4.21Å; Y492-V524 HydrophobicContact CE1-CG2 4.29Å; Y492-V524 HydrophobicContact CG-CG2 3.71Å; H520-V524 WeakPolarHBondContact O-CG2 3.44Å; H520-V524 PolarHBondContact O-N 3.16Å; F521-V524 PolarHBondContact O-N 3.45Å; V524-L526 PolarHBondContact O-N 2.85Å; V524-Y527 WeakPolarHBondContact O-CB 3.14Å; V524-Y527 PolarHBondContact O-N 2.82Å; V524-Y527 VanDerWaalsContact O-N 3.16Å; V524-A528 PolarHBondContact O-N 2.89Å
525	A	96.3	Very high	95.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.4	-43	177.6	0	0	0	0	0	112.7	L485 F521 F522 Y527 A528 V529 L552 A555	L485-A525 HydrophobicContact CD2-CB 3.95Å; F521-A525 PolarHBondContact O-N 2.85Å; F521-A525 VanDerWaalsContact O-N 3.07Å; F522-A525 PolarHBondContact O-N 3.28Å; A525-Y527 VanDerWaalsContact C-N 3.3Å; A525-Y527 PolarHBondContact O-N 3.04Å; A525-A528 WeakPolarHBondContact O-CB 3.39Å; A525-A528 PolarHBondContact O-N 3.49Å; A525-V529 WeakPolarHBondContact O-CG2 3.33Å; A525-V529 PolarHBondContact O-N 3.31Å; A525-V529 VanDerWaalsContact O-N 3.09Å; A525-L552 HydrophobicContact CB-CD2 4.32Å; A525-A555 HydrophobicContact CB-CB 3.79Å
526	L	96.9	Very high	95	Very high	87 Å²	87	44.7 Å²	44.7	46%	0.455	24%	0.235	S	C	.	.	H	α-helix	trans	-67.2	-32.4	174.2	-69	173.3	0	0	0	112	F522 A523 V524 V529 Y530 L552	F522-L526 WeakPolarHBondContact O-CB 3.34Å; F522-L526 WeakPolarHBondContact O-CG 3.28Å; F522-L526 PolarHBondContact O-N 3.48Å; A523-L526 PolarHBondContact O-N 3.44Å; V524-L526 PolarHBondContact O-N 2.85Å; L526-V529 WeakPolarHBondContact O-CB 3.3Å; L526-V529 PolarHBondContact O-N 3.26Å; L526-Y530 PolarHBondContact O-N 2.64Å; L526-L552 HydrophobicContact CD2-CD2 4.28Å
527	Y	97	Very high	94.6	Very high	46 Å²	46	45.8 Å²	45.8	18%	0.18	25%	0.245	C	C	.	.	H	α-helix	trans	-69.4	-36.6	175.4	-164	-138.7	0	0	0	112.1	Q491 Y492 L495 A523 V524 A525 Y530 F531	Q491-Y527 HydrophobicContact CB-CE1 3.86Å; Y492-Y527 HydrophobicContact CD2-CD1 4.19Å; L495-Y527 HydrophobicContact CD1-CE1 3.98Å; L495-Y527 HydrophobicContact CD1-CE2 4.37Å; L495-Y527 HydrophobicContact CG-CE1 4.39Å; A523-Y527 VanDerWaalsContact O-CB 3.32Å; A523-Y527 WeakPolarHBondContact O-CB 3.19Å; A523-Y527 PolarHBondContact O-N 3.33Å; V524-Y527 WeakPolarHBondContact O-CB 3.14Å; V524-Y527 PolarHBondContact O-N 2.82Å; V524-Y527 VanDerWaalsContact O-N 3.16Å; A525-Y527 VanDerWaalsContact C-N 3.3Å; A525-Y527 PolarHBondContact O-N 3.04Å; Y527-Y530 AromaticContact CD2-CD1 3.94Å; Y527-Y530 HydrophobicContact CD2-CD1 3.94Å; Y527-Y530 AromaticContact CE2-CD1 3.81Å; Y527-Y530 HydrophobicContact CE2-CD1 3.81Å; Y527-Y530 HydrophobicContact CE2-CE1 4.19Å; Y527-Y530 WeakPolarHBondContact O-CB 3.18Å; Y527-Y530 PolarHBondContact O-N 3.39Å; Y527-F531 HydrophobicContact CD1-CD2 4.22Å; Y527-F531 AromaticContact CD1-CE2 3.74Å; Y527-F531 HydrophobicContact CD1-CE2 3.74Å; Y527-F531 HydrophobicContact CD2-CD2 4.41Å; Y527-F531 HydrophobicContact CD2-CE2 4.21Å; Y527-F531 HydrophobicContact CE1-CD2 4.17Å; Y527-F531 AromaticContact CE1-CE2 3.26Å; Y527-F531 HydrophobicContact CE1-CE2 3.26Å; Y527-F531 AromaticContact CE1-CZ 3.95Å; Y527-F531 HydrophobicContact CE1-CZ 3.95Å; Y527-F531 HydrophobicContact CE2-CD2 4.31Å; Y527-F531 AromaticContact CE2-CE2 3.76Å; Y527-F531 HydrophobicContact CE2-CE2 3.76Å; Y527-F531 HydrophobicContact CE2-CZ 4.14Å; Y527-F531 HydrophobicContact CG-CD2 4.35Å; Y527-F531 HydrophobicContact CG-CE2 4.19Å; Y527-F531 AromaticContact CZ-CE2 3.24Å; Y527-F531 AromaticContact CZ-CZ 3.55Å; Y527-F531 WeakPolarHBondContact O-CD2 3.4Å; Y527-F531 PolarHBondContact O-N 2.91Å; Y527-F531 VanDerWaalsContact OH-CZ 3.3Å; Y527-F531 WeakPolarHBondContact OH-CZ 3.5Å
528	A	95.4	Very high	94.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-43	170	0	0	0	0	0	111.8	L485 A488 V524 A525 Y530 F531 N532 I551	L485-A528 HydrophobicContact CD2-CB 4.03Å; A488-A528 HydrophobicContact CB-CB 3.5Å; V524-A528 PolarHBondContact O-N 2.89Å; A525-A528 WeakPolarHBondContact O-CB 3.39Å; A525-A528 PolarHBondContact O-N 3.49Å; A528-Y530 VanDerWaalsContact C-N 3.35Å; A528-Y530 PolarHBondContact O-N 2.98Å; A528-F531 PolarHBondContact O-N 2.88Å; A528-N532 WeakPolarHBondContact O-CB 3.22Å; A528-N532 PolarHBondContact O-N 2.77Å; A528-I551 HydrophobicContact CB-CD1 4.42Å; A528-I551 HydrophobicContact CB-CG2 3.85Å
529	V	95.1	Very high	93.6	Very high	22 Å²	22	59.3 Å²	59.3	13%	0.133	31%	0.308	C	S	.	.	H	α-helix	trans	-58.3	-47.6	173.1	168.3	0	0	0	0	110.7	A525 L526 F531 N532 F533 I551 L552	A525-V529 WeakPolarHBondContact O-CG2 3.33Å; A525-V529 PolarHBondContact O-N 3.31Å; A525-V529 VanDerWaalsContact O-N 3.09Å; L526-V529 WeakPolarHBondContact O-CB 3.3Å; L526-V529 PolarHBondContact O-N 3.26Å; V529-F531 PolarHBondContact O-N 3.01Å; V529-N532 PolarHBondContact O-N 2.95Å; V529-F533 HydrophobicContact CG1-CD2 3.85Å; V529-F533 HydrophobicContact CG1-CE2 3.87Å; V529-F533 WeakPolarHBondContact O-CD2 3.19Å; V529-F533 PolarHBondContact O-N 3.47Å; V529-I551 HydrophobicContact CG2-CG2 4.32Å; V529-L552 HydrophobicContact CG2-CD1 4.24Å; V529-L552 HydrophobicContact CG2-CD2 4.06Å; V529-L552 HydrophobicContact CG2-CG 3.84Å
530	Y	94.4	Very high	93.2	Very high	119 Å²	119	58.8 Å²	58.8	47%	0.467	30%	0.296	S	S	.	.	H	α-helix	trans	-56	-48.4	176.2	166.1	-97.2	0	0	0	112.2	L526 Y527 A528 N532 F533 K534	L526-Y530 PolarHBondContact O-N 2.64Å; Y527-Y530 AromaticContact CD2-CD1 3.94Å; Y527-Y530 HydrophobicContact CD2-CD1 3.94Å; Y527-Y530 AromaticContact CE2-CD1 3.81Å; Y527-Y530 HydrophobicContact CE2-CD1 3.81Å; Y527-Y530 HydrophobicContact CE2-CE1 4.19Å; Y527-Y530 WeakPolarHBondContact O-CB 3.18Å; Y527-Y530 PolarHBondContact O-N 3.39Å; A528-Y530 VanDerWaalsContact C-N 3.35Å; A528-Y530 PolarHBondContact O-N 2.98Å; Y530-N532 PolarHBondContact O-N 2.65Å; Y530-F533 PolarHBondContact O-N 2.94Å; Y530-K534 HydrophobicContact CE1-CD 4.07Å; Y530-K534 WeakPolarHBondContact O-CB 3.45Å; Y530-K534 PolarHBondContact O-N 2.88Å
531	F	91.6	Very high	92.7	Very high	52 Å²	52	60.2 Å²	60.2	23%	0.228	30%	0.302	C	S	.	.	H	α-helix	trans	-62.7	-42.5	178.3	-85.2	-62.5	0	0	0	112.7	Q491 Y527 A528 V529 F533 K534 S535	Q491-F531 HydrophobicContact CB-CE2 3.75Å; Q491-F531 HydrophobicContact CB-CZ 3.98Å; Q491-F531 HydrophobicContact CG-CE2 4.13Å; Q491-F531 HydrophobicContact CG-CZ 4.14Å; Y527-F531 HydrophobicContact CD1-CD2 4.22Å; Y527-F531 AromaticContact CD1-CE2 3.74Å; Y527-F531 HydrophobicContact CD1-CE2 3.74Å; Y527-F531 HydrophobicContact CD2-CD2 4.41Å; Y527-F531 HydrophobicContact CD2-CE2 4.21Å; Y527-F531 HydrophobicContact CE1-CD2 4.17Å; Y527-F531 AromaticContact CE1-CE2 3.26Å; Y527-F531 HydrophobicContact CE1-CE2 3.26Å; Y527-F531 AromaticContact CE1-CZ 3.95Å; Y527-F531 HydrophobicContact CE1-CZ 3.95Å; Y527-F531 HydrophobicContact CE2-CD2 4.31Å; Y527-F531 AromaticContact CE2-CE2 3.76Å; Y527-F531 HydrophobicContact CE2-CE2 3.76Å; Y527-F531 HydrophobicContact CE2-CZ 4.14Å; Y527-F531 HydrophobicContact CG-CD2 4.35Å; Y527-F531 HydrophobicContact CG-CE2 4.19Å; Y527-F531 AromaticContact CZ-CE2 3.24Å; Y527-F531 AromaticContact CZ-CZ 3.55Å; Y527-F531 WeakPolarHBondContact O-CD2 3.4Å; Y527-F531 PolarHBondContact O-N 2.91Å; Y527-F531 VanDerWaalsContact OH-CZ 3.3Å; Y527-F531 WeakPolarHBondContact OH-CZ 3.5Å; A528-F531 PolarHBondContact O-N 2.88Å; V529-F531 PolarHBondContact O-N 3.01Å; F531-F533 VanDerWaalsContact C-N 3.31Å; F531-F533 PolarHBondContact O-N 3.45Å; F531-K534 CarbonylContact O-C 3.43Å; F531-K534 WeakPolarHBondContact O-CA 3.46Å; F531-K534 WeakPolarHBondContact O-CB 3.27Å; F531-K534 PolarHBondContact O-N 3.43Å; F531-S535 WeakPolarHBondContact O-CB 3.48Å; F531-S535 PolarHBondContact O-N 2.99Å; F531-S535 PolarHBondContact O-OG 3.34Å; F531-S535 VanDerWaalsContact O-OG 3.06Å
532	N	92.1	Very high	92.4	Very high	4 Å²	4	63.7 Å²	63.7	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-60.8	-40.1	176.9	176.6	45.8	0	0	0	111.8	A528 V529 Y530 S535 E536 A544 K547 S548 I551	A528-N532 WeakPolarHBondContact O-CB 3.22Å; A528-N532 PolarHBondContact O-N 2.77Å; V529-N532 PolarHBondContact O-N 2.95Å; Y530-N532 PolarHBondContact O-N 2.65Å; N532-S535 PolarHBondContact O-OG 2.87Å; N532-E536 WeakPolarHBondContact O-CB 3.22Å; N532-E536 PolarHBondContact O-N 2.97Å; N532-A544 PolarHBondContact ND2-O 2.93Å; N532-K547 WeakPolarHBondContact ND2-CB 3.5Å; N532-K547 WeakPolarHBondContact OD1-CD 3.39Å; N532-S548 PolarHBondContact ND2-N 3.24Å; N532-S548 PolarHBondContact ND2-OG 3.5Å; N532-I551 HydrophobicContact CB-CD1 4.19Å
533	F	91.6	Very high	92.1	Very high	74 Å²	74	69.1 Å²	69.1	33%	0.325	35%	0.346	S	S	.	.	H	α-helix	trans	-66.9	-35.7	170.4	-86.7	-80.3	0	0	0	113	V529 Y530 F531 K541 A544 L545 S548	V529-F533 HydrophobicContact CG1-CD2 3.85Å; V529-F533 HydrophobicContact CG1-CE2 3.87Å; V529-F533 WeakPolarHBondContact O-CD2 3.19Å; V529-F533 PolarHBondContact O-N 3.47Å; Y530-F533 PolarHBondContact O-N 2.94Å; F531-F533 VanDerWaalsContact C-N 3.31Å; F531-F533 PolarHBondContact O-N 3.45Å; F533-K541 PolarHBondContact O-NZ 3.22Å; F533-A544 HydrophobicContact CD1-CB 3.83Å; F533-A544 HydrophobicContact CE1-CB 3.96Å; F533-A544 HydrophobicContact CG-CB 4.19Å; F533-A544 HydrophobicContact CZ-CB 4.43Å; F533-L545 HydrophobicContact CE1-CD2 4.3Å; F533-L545 HydrophobicContact CE1-CG 4.31Å; F533-L545 HydrophobicContact CZ-CD2 3.68Å; F533-L545 HydrophobicContact CZ-CG 4.02Å; F533-S548 VanDerWaalsContact CE2-OG 3.22Å; F533-S548 WeakPolarHBondContact CE2-OG 3.18Å
534	K	90.9	Very high	91.7	Very high	137 Å²	137	67.6 Å²	67.6	60%	0.596	33%	0.333	S	S	*	.	H	α-helix	trans	-70.6	-39.9	-179.7	-174	-179.2	179.1	179.8	0	112.5	Y530 F531	Y530-K534 HydrophobicContact CE1-CD 4.07Å; Y530-K534 WeakPolarHBondContact O-CB 3.45Å; Y530-K534 PolarHBondContact O-N 2.88Å; F531-K534 CarbonylContact O-C 3.43Å; F531-K534 WeakPolarHBondContact O-CA 3.46Å; F531-K534 WeakPolarHBondContact O-CB 3.27Å; F531-K534 PolarHBondContact O-N 3.43Å
535	S	88.3	Confident	91.4	Very high	92 Å²	92	72.3 Å²	72.3	64%	0.643	36%	0.357	S	S	*	.	H	α-helix	trans	-82.3	-23.3	-174.7	61.1	0	0	0	0	114	F531 N532	F531-S535 WeakPolarHBondContact O-CB 3.48Å; F531-S535 PolarHBondContact O-N 2.99Å; F531-S535 PolarHBondContact O-OG 3.34Å; F531-S535 VanDerWaalsContact O-OG 3.06Å; N532-S535 PolarHBondContact O-OG 2.87Å
536	E	90	Very high	91.2	Very high	22 Å²	22	80 Å²	80	10%	0.103	39%	0.391	C	S	.	.	S	Bend	trans	-75.3	135.3	-177.4	-162.4	73.5	-146.2	0	0	111.3	N532 T540 K541 A544 K547	N532-E536 WeakPolarHBondContact O-CB 3.22Å; N532-E536 PolarHBondContact O-N 2.97Å; E536-T540 WeakPolarHBondContact CG-O 3.46Å; E536-T540 WeakPolarHBondContact CG-OG1 3.45Å; E536-T540 WeakPolarHBondContact OE1-CB 3.36Å; E536-T540 PolarHBondContact OE1-OG1 3.32Å; E536-K541 PolarHBondContact O-NZ 3.41Å; E536-A544 HydrophobicContact CB-CB 3.94Å; E536-A544 HydrophobicContact CG-CB 4.06Å; E536-K547 IonicContact OE2-NZ 2.77Å; E536-K547 PolarHBondContact OE2-NZ 3.3Å
537	S	89.3	Confident	91	Very high	73 Å²	73	80.5 Å²	80.5	51%	0.51	39%	0.389	S	S	.	.			trans	-61	153.8	177	-174.6	0	0	0	0	112	S539 T540 K541	S537-S539 PolarHBondContact O-N 2.96Å; S537-S539 PolarHBondContact OG-OG 3.31Å; S537-T540 CarbonylContact O-C 3.58Å; S537-T540 PolarHBondContact O-N 3.4Å; S537-T540 VanDerWaalsContact O-N 3.1Å; S537-T540 PolarHBondContact O-OG1 2.92Å; S537-K541 PolarHBondContact O-N 3.03Å
538	W	85.5	Confident	90.8	Very high	227 Å²	227	78.6 Å²	78.6	86%	0.86	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-60.9	-35	-178.2	-147.8	74.5	0	0	0	112.3	T540 K541	W538-T540 VanDerWaalsContact C-N 3.3Å; W538-T540 PolarHBondContact O-N 2.94Å; W538-K541 WeakPolarHBondContact O-CG 3.42Å
539	S	85.8	Confident	90.8	Very high	100 Å²	100	80.8 Å²	80.8	70%	0.699	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-70.2	-21.5	177.5	57.2	0	0	0	0	114.1	S537	S537-S539 PolarHBondContact O-N 2.96Å; S537-S539 PolarHBondContact OG-OG 3.31Å
540	T	90.1	Very high	90.7	Very high	33 Å²	33	81.3 Å²	81.3	20%	0.202	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-115.4	15.6	-178.1	57.3	0	0	0	0	113.4	E536 S537 W538 P542 R543	E536-T540 WeakPolarHBondContact CG-O 3.46Å; E536-T540 WeakPolarHBondContact CG-OG1 3.45Å; E536-T540 WeakPolarHBondContact OE1-CB 3.36Å; E536-T540 PolarHBondContact OE1-OG1 3.32Å; S537-T540 CarbonylContact O-C 3.58Å; S537-T540 PolarHBondContact O-N 3.4Å; S537-T540 VanDerWaalsContact O-N 3.1Å; S537-T540 PolarHBondContact O-OG1 2.92Å; W538-T540 VanDerWaalsContact C-N 3.3Å; W538-T540 PolarHBondContact O-N 2.94Å; T540-P542 VanDerWaalsContact C-N 3.28Å; T540-P542 VanDerWaalsContact O-N 3.11Å; T540-R543 WeakPolarHBondContact O-CA 3.27Å; T540-R543 WeakPolarHBondContact O-CB 3.32Å; T540-R543 PolarHBondContact O-N 2.92Å
541	K	86.8	Confident	90.7	Very high	63 Å²	63	75.8 Å²	75.8	27%	0.274	39%	0.386	S	S	.	.	H	α-helix	trans	-49.8	-35.7	178.5	-74.6	-61.7	-168.8	-154.9	0	115.7	F533 E536 S537 W538 R543 A544	F533-K541 PolarHBondContact O-NZ 3.22Å; E536-K541 PolarHBondContact O-NZ 3.41Å; S537-K541 PolarHBondContact O-N 3.03Å; W538-K541 WeakPolarHBondContact O-CG 3.42Å; K541-R543 PolarHBondContact O-N 3.34Å; K541-A544 VanDerWaalsContact O-CB 3.28Å; K541-A544 WeakPolarHBondContact O-CB 3.45Å; K541-A544 PolarHBondContact O-N 2.88Å
542	P	91.1	Very high	90.9	Very high	94 Å²	94	75.2 Å²	75.2	61%	0.61	39%	0.385	S	S	*	.	H	α-helix	trans	-58.4	-28.3	173	-27.4	36.7	0	0	0	113.8	T540 A544 L545 F546	T540-P542 VanDerWaalsContact C-N 3.28Å; T540-P542 VanDerWaalsContact O-N 3.11Å; P542-A544 VanDerWaalsContact C-N 3.33Å; P542-A544 PolarHBondContact O-N 3.47Å; P542-L545 WeakPolarHBondContact O-CB 3.42Å; P542-L545 PolarHBondContact O-N 3.24Å; P542-F546 PolarHBondContact O-N 2.88Å
543	R	89.8	Confident	91.1	Very high	163 Å²	163	80.4 Å²	80.4	62%	0.615	41%	0.405	S	S	*	.	H	α-helix	trans	-66.6	-33.8	172.9	-63.9	-173.4	168.2	167.3	-6.5	112.3	T540 K541 L545 F546 K547	T540-R543 WeakPolarHBondContact O-CA 3.27Å; T540-R543 WeakPolarHBondContact O-CB 3.32Å; T540-R543 PolarHBondContact O-N 2.92Å; K541-R543 PolarHBondContact O-N 3.34Å; R543-L545 VanDerWaalsContact C-N 3.26Å; R543-L545 PolarHBondContact O-N 2.98Å; R543-F546 PolarHBondContact O-N 3.14Å; R543-K547 PolarHBondContact O-N 3.33Å
544	A	90.9	Very high	91.2	Very high	0 Å²	0	80.1 Å²	80.1	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-62.1	-36	175.7	0	0	0	0	0	111.4	N532 F533 E536 K541 P542 S548	N532-A544 PolarHBondContact ND2-O 2.93Å; F533-A544 HydrophobicContact CD1-CB 3.83Å; F533-A544 HydrophobicContact CE1-CB 3.96Å; F533-A544 HydrophobicContact CG-CB 4.19Å; F533-A544 HydrophobicContact CZ-CB 4.43Å; E536-A544 HydrophobicContact CB-CB 3.94Å; E536-A544 HydrophobicContact CG-CB 4.06Å; K541-A544 VanDerWaalsContact O-CB 3.28Å; K541-A544 WeakPolarHBondContact O-CB 3.45Å; K541-A544 PolarHBondContact O-N 2.88Å; P542-A544 VanDerWaalsContact C-N 3.33Å; P542-A544 PolarHBondContact O-N 3.47Å; A544-S548 WeakPolarHBondContact O-CB 3.07Å; A544-S548 PolarHBondContact O-N 3.32Å; A544-S548 PolarHBondContact O-OG 3.43Å
545	L	91.3	Very high	91.4	Very high	111 Å²	111	73.6 Å²	73.6	58%	0.581	37%	0.374	S	S	*	.	H	α-helix	trans	-60.7	-48.6	173.7	-73	163.5	0	0	0	111.3	F533 P542 R543 S548 A549	F533-L545 HydrophobicContact CE1-CD2 4.3Å; F533-L545 HydrophobicContact CE1-CG 4.31Å; F533-L545 HydrophobicContact CZ-CD2 3.68Å; F533-L545 HydrophobicContact CZ-CG 4.02Å; P542-L545 WeakPolarHBondContact O-CB 3.42Å; P542-L545 PolarHBondContact O-N 3.24Å; R543-L545 VanDerWaalsContact C-N 3.26Å; R543-L545 PolarHBondContact O-N 2.98Å; L545-S548 PolarHBondContact O-N 2.91Å; L545-A549 PolarHBondContact O-N 3.25Å
546	F	91.9	Very high	91.8	Very high	162 Å²	162	70.3 Å²	70.3	71%	0.711	35%	0.351	S	S	*	.	H	α-helix	trans	-62.9	-48.2	179.6	-175.9	-94.5	0	0	0	112.3	P542 R543 S548 A549 A550	P542-F546 PolarHBondContact O-N 2.88Å; R543-F546 PolarHBondContact O-N 3.14Å; F546-S548 VanDerWaalsContact C-N 3.31Å; F546-S548 PolarHBondContact O-N 2.87Å; F546-A549 PolarHBondContact O-N 3.38Å; F546-A550 PolarHBondContact O-N 3.06Å
547	K	92	Very high	92	Very high	96 Å²	96	71.4 Å²	71.4	42%	0.417	36%	0.359	S	S	.	.	H	α-helix	trans	-60.4	-39.5	175.8	-75.5	178.1	-178.8	173.8	0	111.9	N532 E536 R543 A550 I551	N532-K547 WeakPolarHBondContact ND2-CB 3.5Å; N532-K547 WeakPolarHBondContact OD1-CD 3.39Å; E536-K547 IonicContact OE2-NZ 2.77Å; E536-K547 PolarHBondContact OE2-NZ 3.3Å; R543-K547 PolarHBondContact O-N 3.33Å; K547-A550 WeakPolarHBondContact O-CB 3.23Å; K547-A550 PolarHBondContact O-N 2.89Å; K547-I551 VanDerWaalsContact O-CG1 3.31Å; K547-I551 WeakPolarHBondContact O-CG1 3.39Å; K547-I551 PolarHBondContact O-N 3.41Å
548	S	93.9	Very high	92.2	Very high	6 Å²	6	68.5 Å²	68.5	4%	0.042	34%	0.338	C	S	.	.	H	α-helix	trans	-66.1	-42	178.4	-61.7	0	0	0	0	111.8	N532 F533 A544 L545 F546 A550 I551 L552	N532-S548 PolarHBondContact ND2-N 3.24Å; N532-S548 PolarHBondContact ND2-OG 3.5Å; F533-S548 VanDerWaalsContact CE2-OG 3.22Å; F533-S548 WeakPolarHBondContact CE2-OG 3.18Å; A544-S548 WeakPolarHBondContact O-CB 3.07Å; A544-S548 PolarHBondContact O-N 3.32Å; A544-S548 PolarHBondContact O-OG 3.43Å; L545-S548 PolarHBondContact O-N 2.91Å; F546-S548 VanDerWaalsContact C-N 3.31Å; F546-S548 PolarHBondContact O-N 2.87Å; S548-A550 VanDerWaalsContact C-N 3.3Å; S548-A550 PolarHBondContact O-N 2.8Å; S548-I551 PolarHBondContact O-N 2.96Å; S548-L552 WeakPolarHBondContact O-CG 3.41Å; S548-L552 PolarHBondContact O-N 3.49Å
549	A	94.1	Very high	92.6	Very high	47 Å²	47	57.7 Å²	57.7	39%	0.388	30%	0.297	S	S	.	.	H	α-helix	trans	-61.6	-40.5	172.9	0	0	0	0	0	111.4	L545 F546 L552 Y553	L545-A549 PolarHBondContact O-N 3.25Å; F546-A549 PolarHBondContact O-N 3.38Å; A549-L552 PolarHBondContact O-N 2.81Å; A549-Y553 WeakPolarHBondContact O-CB 3.35Å; A549-Y553 PolarHBondContact O-N 3.15Å
550	A	94.5	Very high	93.1	Very high	32 Å²	32	55 Å²	55	26%	0.264	27%	0.273	S	S	.	.	H	α-helix	trans	-64	-43.7	175.6	0	0	0	0	0	112.6	F546 K547 S548 Y553 R554	F546-A550 PolarHBondContact O-N 3.06Å; K547-A550 WeakPolarHBondContact O-CB 3.23Å; K547-A550 PolarHBondContact O-N 2.89Å; S548-A550 VanDerWaalsContact C-N 3.3Å; S548-A550 PolarHBondContact O-N 2.8Å; A550-Y553 PolarHBondContact O-N 3.19Å; A550-R554 VanDerWaalsContact O-CB 3.3Å; A550-R554 WeakPolarHBondContact O-CB 3.21Å; A550-R554 PolarHBondContact O-N 2.86Å
551	I	94.4	Very high	93.3	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.015	29%	0.287	C	S	.	.	H	α-helix	trans	-59.8	-49.9	175.4	-71.6	165.5	0	0	0	110.8	E484 L485 A528 V529 N532 K547 S548 R554 A555	E484-I551 HydrophobicContact CB-CD1 4.07Å; E484-I551 HydrophobicContact CB-CG1 4.41Å; E484-I551 HydrophobicContact CG-CD1 4.44Å; L485-I551 HydrophobicContact CD2-CG2 3.8Å; L485-I551 HydrophobicContact CG-CG2 4.07Å; A528-I551 HydrophobicContact CB-CD1 4.42Å; A528-I551 HydrophobicContact CB-CG2 3.85Å; V529-I551 HydrophobicContact CG2-CG2 4.32Å; N532-I551 HydrophobicContact CB-CD1 4.19Å; K547-I551 VanDerWaalsContact O-CG1 3.31Å; K547-I551 WeakPolarHBondContact O-CG1 3.39Å; K547-I551 PolarHBondContact O-N 3.41Å; S548-I551 PolarHBondContact O-N 2.96Å; I551-R554 PolarHBondContact O-N 2.79Å; I551-A555 WeakPolarHBondContact O-CB 3.14Å; I551-A555 PolarHBondContact O-N 3.1Å
552	L	95.6	Very high	93.7	Very high	40 Å²	40	55.1 Å²	55.1	21%	0.209	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-43.9	179.2	-70.9	175.7	0	0	0	111.8	A525 L526 V529 S548 A549 R554 A555 C556	A525-L552 HydrophobicContact CB-CD2 4.32Å; L526-L552 HydrophobicContact CD2-CD2 4.28Å; V529-L552 HydrophobicContact CG2-CD1 4.24Å; V529-L552 HydrophobicContact CG2-CD2 4.06Å; V529-L552 HydrophobicContact CG2-CG 3.84Å; S548-L552 WeakPolarHBondContact O-CG 3.41Å; S548-L552 PolarHBondContact O-N 3.49Å; A549-L552 PolarHBondContact O-N 2.81Å; L552-R554 VanDerWaalsContact C-N 3.28Å; L552-R554 PolarHBondContact O-N 2.76Å; L552-A555 PolarHBondContact O-N 3.29Å; L552-C556 PolarHBondContact O-N 3.3Å; L552-C556 PolarHBondContact O-SG 2.96Å; L552-C556 VanDerWaalsContact O-SG 3.34Å
553	Y	95.4	Very high	93.9	Very high	114 Å²	114	52 Å²	52	45%	0.447	26%	0.257	S	S	.	.	H	α-helix	trans	-55.9	-47.8	173.5	177.5	-98.1	0	0	0	110.3	A549 A550 A555 C556 T557	A549-Y553 WeakPolarHBondContact O-CB 3.35Å; A549-Y553 PolarHBondContact O-N 3.15Å; A550-Y553 PolarHBondContact O-N 3.19Å; Y553-A555 PolarHBondContact O-N 3.39Å; Y553-C556 PolarHBondContact O-N 3.5Å; Y553-T557 HydrophobicContact CD1-CG2 4.01Å; Y553-T557 HydrophobicContact CD2-CG2 4.48Å; Y553-T557 HydrophobicContact CE1-CG2 3.59Å; Y553-T557 HydrophobicContact CE2-CG2 4.12Å; Y553-T557 HydrophobicContact CG-CG2 4.44Å; Y553-T557 VanDerWaalsContact O-CG2 3.32Å; Y553-T557 WeakPolarHBondContact O-CG2 3.25Å; Y553-T557 PolarHBondContact O-N 3.22Å
554	R	94.3	Very high	94.1	Very high	67 Å²	67	51.3 Å²	51.3	25%	0.253	26%	0.256	S	S	.	.	H	α-helix	trans	-63.5	-45.4	-179.2	-165.9	57.5	170.4	142.2	-2.4	111.7	D479 L482 A550 I551 L552 C556 T557 V558	D479-R554 IonicContact OD2-CZ 3.35Å; D479-R554 IonicContact OD2-NE 2.78Å; D479-R554 PolarHBondContact OD2-NE 2.76Å; D479-R554 IonicContact OD2-NH2 3.1Å; D479-R554 PolarHBondContact OD2-NH2 3.15Å; D479-R554 VanDerWaalsContact OD2-NH2 3.1Å; L482-R554 HydrophobicContact CD2-CG 3.74Å; L482-R554 HydrophobicContact CG-CG 3.82Å; A550-R554 VanDerWaalsContact O-CB 3.3Å; A550-R554 WeakPolarHBondContact O-CB 3.21Å; A550-R554 PolarHBondContact O-N 2.86Å; I551-R554 PolarHBondContact O-N 2.79Å; L552-R554 VanDerWaalsContact C-N 3.28Å; L552-R554 PolarHBondContact O-N 2.76Å; R554-C556 VanDerWaalsContact C-N 3.33Å; R554-C556 PolarHBondContact O-N 3.5Å; R554-T557 WeakPolarHBondContact CA-OG1 3.47Å; R554-T557 PolarHBondContact NH1-OG1 2.8Å; R554-T557 PolarHBondContact O-N 3.19Å; R554-T557 VanDerWaalsContact O-N 3.12Å; R554-T557 PolarHBondContact O-OG1 3.5Å; R554-V558 WeakPolarHBondContact O-CG2 3.47Å; R554-V558 PolarHBondContact O-N 2.69Å
555	A	94.8	Very high	94.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-55.5	-46.1	174.4	0	0	0	0	0	111.8	L485 F521 A525 I551 L552 Y553 V558 M559	L485-A555 HydrophobicContact CD1-CB 4.22Å; F521-A555 HydrophobicContact CE1-CB 3.89Å; F521-A555 WeakPolarHBondContact CE1-O 3.3Å; F521-A555 HydrophobicContact CZ-CB 4.29Å; A525-A555 HydrophobicContact CB-CB 3.79Å; I551-A555 WeakPolarHBondContact O-CB 3.14Å; I551-A555 PolarHBondContact O-N 3.1Å; L552-A555 PolarHBondContact O-N 3.29Å; Y553-A555 PolarHBondContact O-N 3.39Å; A555-V558 PolarHBondContact O-N 3.19Å; A555-M559 WeakPolarHBondContact O-CB 3.47Å; A555-M559 PolarHBondContact O-N 3.27Å
556	C	95.9	Very high	94.3	Very high	24 Å²	24	47.1 Å²	47.1	16%	0.162	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-42.4	175.1	-69	0	0	0	0	112.5	L552 Y553 R554 V558 M559 F560	L552-C556 PolarHBondContact O-N 3.3Å; L552-C556 PolarHBondContact O-SG 2.96Å; L552-C556 VanDerWaalsContact O-SG 3.34Å; Y553-C556 PolarHBondContact O-N 3.5Å; R554-C556 VanDerWaalsContact C-N 3.33Å; R554-C556 PolarHBondContact O-N 3.5Å; C556-V558 VanDerWaalsContact C-N 3.25Å; C556-V558 PolarHBondContact O-N 3.46Å; C556-M559 PolarHBondContact O-N 2.65Å; C556-F560 HydrophobicContact CB-CD2 4.26Å; C556-F560 HydrophobicContact CB-CE2 4.01Å; C556-F560 HydrophobicContact CB-CZ 4.23Å; C556-F560 WeakPolarHBondContact O-CB 3.35Å; C556-F560 PolarHBondContact O-N 2.95Å
557	T	94.3	Very high	94.1	Very high	44 Å²	44	42.4 Å²	42.4	27%	0.27	22%	0.217	S	C	.	.	H	α-helix	trans	-66.5	-25.1	178.8	62.9	0	0	0	0	113.5	Y553 R554 P561	Y553-T557 HydrophobicContact CD1-CG2 4.01Å; Y553-T557 HydrophobicContact CD2-CG2 4.48Å; Y553-T557 HydrophobicContact CE1-CG2 3.59Å; Y553-T557 HydrophobicContact CE2-CG2 4.12Å; Y553-T557 HydrophobicContact CG-CG2 4.44Å; Y553-T557 VanDerWaalsContact O-CG2 3.32Å; Y553-T557 WeakPolarHBondContact O-CG2 3.25Å; Y553-T557 PolarHBondContact O-N 3.22Å; R554-T557 WeakPolarHBondContact CA-OG1 3.47Å; R554-T557 PolarHBondContact NH1-OG1 2.8Å; R554-T557 PolarHBondContact O-N 3.19Å; R554-T557 VanDerWaalsContact O-N 3.12Å; R554-T557 PolarHBondContact O-OG1 3.5Å; T557-P561 WeakPolarHBondContact O-CD 3.46Å; T557-P561 VanDerWaalsContact O-CG 3.27Å; T557-P561 WeakPolarHBondContact O-CG 3.49Å
558	V	94.1	Very high	93.7	Very high	12 Å²	12	42.8 Å²	42.8	7%	0.073	22%	0.219	C	C	.	.	H	α-helix	trans	-79	-52.3	171.8	172.7	0	0	0	0	110	A470 E473 L482 F521 R554 A555 C556 L562	A470-V558 HydrophobicContact CB-CG1 4.14Å; E473-V558 HydrophobicContact CB-CG1 4.33Å; E473-V558 HydrophobicContact CB-CG2 4.45Å; L482-V558 HydrophobicContact CD2-CG2 3.96Å; F521-V558 HydrophobicContact CZ-CB 4.42Å; F521-V558 HydrophobicContact CZ-CG1 4.32Å; R554-V558 WeakPolarHBondContact O-CG2 3.47Å; R554-V558 PolarHBondContact O-N 2.69Å; A555-V558 PolarHBondContact O-N 3.19Å; C556-V558 VanDerWaalsContact C-N 3.25Å; C556-V558 PolarHBondContact O-N 3.46Å; V558-L562 HydrophobicContact CG1-CD1 4.23Å; V558-L562 WeakPolarHBondContact O-CD1 3.28Å; V558-L562 VanDerWaalsContact O-CG 3.28Å; V558-L562 WeakPolarHBondContact O-CG 3.33Å
559	M	94.4	Very high	92.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-74	-46.2	-168.8	-176.3	55.7	73.5	0	0	113.7	V466 A470 F521 F522 A555 C556 L562 I563	V466-M559 HydrophobicContact CG1-CE 4.15Å; V466-M559 HydrophobicContact CG1-SD 3.47Å; V466-M559 WeakPolarHBondContact CG1-SD 3.21Å; A470-M559 HydrophobicContact CB-CE 4.34Å; F521-M559 HydrophobicContact CB-CE 3.48Å; F521-M559 VanDerWaalsContact CB-CE 3.48Å; F521-M559 HydrophobicContact CD1-CB 4.06Å; F521-M559 HydrophobicContact CD1-CE 3.36Å; F521-M559 HydrophobicContact CD1-CG 4.17Å; F521-M559 HydrophobicContact CD2-CE 3.33Å; F521-M559 HydrophobicContact CE1-CB 3.61Å; F521-M559 HydrophobicContact CE1-CE 3.85Å; F521-M559 HydrophobicContact CE1-CG 4.23Å; F521-M559 HydrophobicContact CE2-CE 3.81Å; F521-M559 HydrophobicContact CG-CE 3.07Å; F521-M559 HydrophobicContact CZ-CB 4.08Å; F521-M559 HydrophobicContact CZ-CE 4.05Å; F522-M559 HydrophobicContact CE2-CG 4.2Å; A555-M559 WeakPolarHBondContact O-CB 3.47Å; A555-M559 PolarHBondContact O-N 3.27Å; C556-M559 PolarHBondContact O-N 2.65Å; M559-L562 PolarHBondContact O-N 2.98Å; M559-I563 HydrophobicContact CG-CD1 3.59Å; M559-I563 HydrophobicContact CG-CG1 4.07Å; M559-I563 WeakPolarHBondContact O-CG1 3.43Å; M559-I563 PolarHBondContact O-N 3.01Å; M559-I563 HydrophobicContact SD-CD1 3.81Å; M559-I563 HydrophobicContact SD-CG1 3.78Å
560	F	95.7	Very high	90.8	Very high	45 Å²	45	49.2 Å²	49.2	20%	0.197	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-42.5	-171.2	-67.2	-6.8	0	0	0	114.2	L36 F522 C556 L562 I563 Y564	L36-F560 HydrophobicContact CD2-CE1 3.94Å; L36-F560 HydrophobicContact CD2-CE2 3.74Å; L36-F560 HydrophobicContact CD2-CZ 3.2Å; L36-F560 HydrophobicContact CG-CE2 4.39Å; L36-F560 HydrophobicContact CG-CZ 3.79Å; F522-F560 HydrophobicContact CE2-CE1 4.22Å; F522-F560 AromaticContact CZ-CE1 3.72Å; F522-F560 HydrophobicContact CZ-CE1 3.72Å; F522-F560 HydrophobicContact CZ-CZ 4.25Å; C556-F560 HydrophobicContact CB-CD2 4.26Å; C556-F560 HydrophobicContact CB-CE2 4.01Å; C556-F560 HydrophobicContact CB-CZ 4.23Å; C556-F560 WeakPolarHBondContact O-CB 3.35Å; C556-F560 PolarHBondContact O-N 2.95Å; F560-L562 VanDerWaalsContact C-N 3.27Å; F560-L562 PolarHBondContact O-N 3.41Å; F560-I563 PolarHBondContact O-N 3.33Å; F560-Y564 WeakPolarHBondContact O-CB 3.43Å; F560-Y564 PolarHBondContact O-N 2.99Å
561	P	95.1	Very high	88.6	Confident	78 Å²	78	53.7 Å²	53.7	51%	0.506	27%	0.265	S	S	.	.	H	α-helix	trans	-62	-35.2	174.8	-25.1	37	0	0	0	112.9	T557 S565	T557-P561 WeakPolarHBondContact O-CD 3.46Å; T557-P561 VanDerWaalsContact O-CG 3.27Å; T557-P561 WeakPolarHBondContact O-CG 3.49Å; P561-S565 WeakPolarHBondContact O-CB 3.29Å; P561-S565 PolarHBondContact O-N 3.44Å
562	L	94.9	Very high	86.3	Confident	19 Å²	19	56.6 Å²	56.6	10%	0.099	28%	0.276	C	S	.	.	H	α-helix	trans	-69.2	-46.5	178.2	-64.9	174.9	0	0	0	111.5	F390 V466 Q469 A470 V558 M559 F560 Y564 S565 E566	F390-L562 HydrophobicContact CE1-CD2 4.43Å; F390-L562 HydrophobicContact CZ-CD2 4.16Å; V466-L562 HydrophobicContact CB-CB 4.49Å; V466-L562 HydrophobicContact CG1-CB 4.03Å; V466-L562 HydrophobicContact CG2-CB 4.23Å; Q469-L562 HydrophobicContact CB-CD1 3.67Å; Q469-L562 HydrophobicContact CB-CD2 3.53Å; Q469-L562 HydrophobicContact CB-CG 4.25Å; Q469-L562 HydrophobicContact CG-CD2 3.93Å; A470-L562 HydrophobicContact CB-CD1 3.98Å; V558-L562 HydrophobicContact CG1-CD1 4.23Å; V558-L562 WeakPolarHBondContact O-CD1 3.28Å; V558-L562 VanDerWaalsContact O-CG 3.28Å; V558-L562 WeakPolarHBondContact O-CG 3.33Å; M559-L562 PolarHBondContact O-N 2.98Å; F560-L562 VanDerWaalsContact C-N 3.27Å; F560-L562 PolarHBondContact O-N 3.41Å; L562-Y564 VanDerWaalsContact C-N 3.31Å; L562-Y564 PolarHBondContact O-N 2.87Å; L562-S565 WeakPolarHBondContact O-CB 3.15Å; L562-S565 PolarHBondContact O-N 3.47Å; L562-S565 VanDerWaalsContact O-N 3.12Å; L562-S565 PolarHBondContact O-OG 2.81Å; L562-E566 PolarHBondContact O-N 3.34Å
563	I	94.8	Very high	85.8	Confident	28 Å²	28	57.5 Å²	57.5	14%	0.144	28%	0.28	C	S	.	.	H	α-helix	trans	-57	-47.9	173.3	-67.5	178.7	0	0	0	110.2	F462 I518 M559 F560 S565 E566 L567	F462-I563 HydrophobicContact CE2-CB 4.48Å; F462-I563 HydrophobicContact CE2-CG1 4.41Å; F462-I563 HydrophobicContact CE2-CG2 4.09Å; F462-I563 HydrophobicContact CZ-CB 4.43Å; F462-I563 HydrophobicContact CZ-CG1 3.88Å; F462-I563 HydrophobicContact CZ-CG2 4.24Å; I518-I563 HydrophobicContact CD1-CD1 3.88Å; I518-I563 HydrophobicContact CG1-CD1 3.98Å; M559-I563 HydrophobicContact CG-CD1 3.59Å; M559-I563 HydrophobicContact CG-CG1 4.07Å; M559-I563 WeakPolarHBondContact O-CG1 3.43Å; M559-I563 PolarHBondContact O-N 3.01Å; M559-I563 HydrophobicContact SD-CD1 3.81Å; M559-I563 HydrophobicContact SD-CG1 3.78Å; F560-I563 PolarHBondContact O-N 3.33Å; I563-S565 VanDerWaalsContact C-N 3.25Å; I563-S565 PolarHBondContact O-N 2.84Å; I563-E566 PolarHBondContact O-N 3.47Å; I563-L567 HydrophobicContact CG2-CD1 3.79Å; I563-L567 HydrophobicContact CG2-CG 4.49Å; I563-L567 WeakPolarHBondContact O-CG 3.29Å; I563-L567 PolarHBondContact O-N 3.14Å; I563-L567 VanDerWaalsContact O-N 3.14Å
564	Y	93.8	Very high	85.3	Confident	150 Å²	150	54.5 Å²	54.5	59%	0.588	27%	0.271	S	S	*	.	H	α-helix	trans	-60.6	-37	178.4	-179.2	-104.1	0	0	0	111.6	F560 L562 E566 L567 K568	F560-Y564 WeakPolarHBondContact O-CB 3.43Å; F560-Y564 PolarHBondContact O-N 2.99Å; L562-Y564 VanDerWaalsContact C-N 3.31Å; L562-Y564 PolarHBondContact O-N 2.87Å; Y564-E566 VanDerWaalsContact C-N 3.27Å; Y564-E566 PolarHBondContact O-N 3.49Å; Y564-L567 CarbonylContact O-C 3.58Å; Y564-L567 PolarHBondContact O-N 2.94Å; Y564-L567 VanDerWaalsContact O-N 3.17Å; Y564-K568 HydrophobicContact CE1-CB 4.41Å; Y564-K568 HydrophobicContact CE1-CD 4.4Å; Y564-K568 HydrophobicContact CE1-CG 4.15Å; Y564-K568 WeakPolarHBondContact O-CA 3.4Å; Y564-K568 WeakPolarHBondContact O-CB 3.2Å; Y564-K568 PolarHBondContact O-N 2.61Å
565	S	92.8	Very high	84.8	Confident	19 Å²	19	53.8 Å²	53.8	13%	0.133	27%	0.272	C	S	.	.	H	α-helix	trans	-62.7	-31.3	179.4	79.3	0	0	0	0	113.9	P561 L562 I563	P561-S565 WeakPolarHBondContact O-CB 3.29Å; P561-S565 PolarHBondContact O-N 3.44Å; L562-S565 WeakPolarHBondContact O-CB 3.15Å; L562-S565 PolarHBondContact O-N 3.47Å; L562-S565 VanDerWaalsContact O-N 3.12Å; L562-S565 PolarHBondContact O-OG 2.81Å; I563-S565 VanDerWaalsContact C-N 3.25Å; I563-S565 PolarHBondContact O-N 2.84Å
566	E	93	Very high	84.2	Confident	3 Å²	3	56.9 Å²	56.9	1%	0.014	29%	0.288	C	S	.	.	H	α-helix	trans	-83.7	-25.9	175.7	-69.7	-66.6	130.9	0	0	112.9	P393 S461 F462 N465 V466 L562 I563 Y564	P393-E566 WeakPolarHBondContact CD-OE1 3.49Å; S461-E566 WeakPolarHBondContact CB-OE2 3.28Å; S461-E566 PolarHBondContact OG-OE2 2.99Å; F462-E566 HydrophobicContact CD2-CB 3.79Å; F462-E566 HydrophobicContact CD2-CG 4.27Å; F462-E566 HydrophobicContact CE2-CB 4.41Å; N465-E566 HydrophobicContact CB-CG 4.48Å; N465-E566 VanDerWaalsContact CB-OE1 3.29Å; N465-E566 WeakPolarHBondContact CB-OE1 3.37Å; N465-E566 PolarHBondContact ND2-OE1 3.45Å; V466-E566 HydrophobicContact CG2-CG 3.9Å; L562-E566 PolarHBondContact O-N 3.34Å; I563-E566 PolarHBondContact O-N 3.47Å; Y564-E566 VanDerWaalsContact C-N 3.27Å; Y564-E566 PolarHBondContact O-N 3.49Å
567	L	89.1	Confident	83.5	Confident	63 Å²	63	59 Å²	59	33%	0.33	30%	0.296	S	S	.	.	H	α-helix	trans	-100	-6.7	-177.7	-62.1	-178.8	0	0	0	113.8	F462 I563 Y564 Y569 L570	F462-L567 HydrophobicContact CE2-CG 4.44Å; I563-L567 HydrophobicContact CG2-CD1 3.79Å; I563-L567 HydrophobicContact CG2-CG 4.49Å; I563-L567 WeakPolarHBondContact O-CG 3.29Å; I563-L567 PolarHBondContact O-N 3.14Å; I563-L567 VanDerWaalsContact O-N 3.14Å; Y564-L567 CarbonylContact O-C 3.58Å; Y564-L567 PolarHBondContact O-N 2.94Å; Y564-L567 VanDerWaalsContact O-N 3.17Å; L567-Y569 PolarHBondContact O-N 3.39Å; L567-L570 WeakPolarHBondContact O-CG 3.48Å
568	K	82.5	Confident	82.7	Confident	105 Å²	105	60 Å²	60	46%	0.457	30%	0.298	S	S	.	.	S	Bend	trans	-49.1	-35.8	-172.9	-176.6	178.3	177.2	-166.8	0	113	Y564	Y564-K568 HydrophobicContact CE1-CB 4.41Å; Y564-K568 HydrophobicContact CE1-CD 4.4Å; Y564-K568 HydrophobicContact CE1-CG 4.15Å; Y564-K568 WeakPolarHBondContact O-CA 3.4Å; Y564-K568 WeakPolarHBondContact O-CB 3.2Å; Y564-K568 PolarHBondContact O-N 2.61Å
569	Y	73.1	Confident	81.9	Confident	59 Å²	59	63.4 Å²	63.4	23%	0.231	31%	0.314	C	S	.	.			trans	-105.4	86.3	-179.8	-57.1	-79.5	0	0	0	109.8	A394 P395 H453 L567	A394-Y569 HydrophobicContact CB-CE2 3.94Å; P395-Y569 HydrophobicContact CG-CD1 3.55Å; P395-Y569 HydrophobicContact CG-CD2 4.14Å; P395-Y569 HydrophobicContact CG-CE1 4.23Å; P395-Y569 HydrophobicContact CG-CG 3.48Å; P395-Y569 VanDerWaalsContact CG-CG 3.48Å; H453-Y569 PolarHBondContact CE1-O 2.67Å; H453-Y569 VanDerWaalsContact CE1-O 3.22Å; L567-Y569 PolarHBondContact O-N 3.39Å
570	L	55.3	Low	81	Confident	129 Å²	129	68.3 Å²	68.3	68%	0.675	34%	0.338	S	S	*	.	S	Bend	trans	-78.6	-28.5	175.9	-73.4	170.5	0	0	0	112.4	L567	L567-L570 WeakPolarHBondContact O-CG 3.48Å
571	V	46.9	Very low	79.8	Confident	126 Å²	126	70.3 Å²	70.3	76%	0.764	35%	0.349	S	S	*	.			trans	-135.3	131	-178.2	-174.3	0	0	0	0	109.4
572	Y	45.9	Very low	78.4	Confident	64 Å²	64	69.5 Å²	69.5	25%	0.251	34%	0.335	S	S	.	.			trans	-86	0	171	-113.6	-93.6	0	0	0	110.7	P395 V396 N397 L446 K449 K450 H453	P395-Y572 WeakPolarHBondContact CA-OH 3.33Å; P395-Y572 HydrophobicContact CB-CD1 4.13Å; P395-Y572 HydrophobicContact CB-CD2 4.3Å; P395-Y572 HydrophobicContact CB-CE1 3.71Å; P395-Y572 HydrophobicContact CB-CE2 3.85Å; P395-Y572 HydrophobicContact CB-CG 4.43Å; P395-Y572 HydrophobicContact CG-CD2 4.35Å; P395-Y572 HydrophobicContact CG-CE2 4.09Å; V396-Y572 PolarHBondContact N-OH 3.2Å; N397-Y572 WeakPolarHBondContact OD1-CD1 3.47Å; N397-Y572 VanDerWaalsContact OD1-CE1 3.32Å; N397-Y572 WeakPolarHBondContact OD1-CE1 3.47Å; L446-Y572 HydrophobicContact CD1-CD1 4.17Å; K449-Y572 HydrophobicContact CB-CE1 4.1Å; K450-Y572 HydrophobicContact CD-CG 4.4Å; K450-Y572 HydrophobicContact CG-CD1 4.37Å; K450-Y572 HydrophobicContact CG-CD2 4.26Å; K450-Y572 HydrophobicContact CG-CG 3.87Å; K450-Y572 PolarHBondContact NZ-O 3.41Å; H453-Y572 HydrophobicContact CB-CD2 4.34Å; H453-Y572 HydrophobicContact CB-CE2 3.67Å; H453-Y572 AromaticContact CG-CE2 3.88Å

Retrieved 572 of 572 residues in 235.8 ms (Link to these results)

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