A0A087Y261_POEFO Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession A0A087Y261, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 609 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	36	Very low	32.5	Very low	248 Å²	248	156.1 Å²	156.1	100%	1.222	81%	0.813	S	S	*	*				0	139.8	0	-82.3	177.8	-164.7	0	0	108.8
2	A	32.1	Very low	32.7	Very low	100 Å²	100	148.9 Å²	148.9	83%	0.826	79%	0.786	S	S	*	*			trans	68.7	77.4	172	0	0	0	0	0	118.6
3	C	28	Very low	32.8	Very low	129 Å²	129	143.2 Å²	143.2	87%	0.872	76%	0.761	S	S	*	*			trans	-169.3	65.8	140.8	-104.5	0	0	0	0	112.5
4	T	31.9	Very low	32.8	Very low	140 Å²	140	139.1 Å²	139.1	86%	0.859	75%	0.748	S	S	*	*	S	Bend	trans	-150.6	34.3	172.9	32.8	0	0	0	0	114.2
5	R	29.7	Very low	33.2	Very low	243 Å²	243	136.4 Å²	136.4	92%	0.917	74%	0.738	S	S	*	*	S	Bend	trans	-130.1	4.9	-178.6	-107.9	-177.3	-178.5	-175.7	0.2	118.2
6	R	31	Very low	33.6	Very low	228 Å²	228	134.6 Å²	134.6	86%	0.86	73%	0.727	S	S	*	*	S	Bend	trans	-101.5	-8.2	179.9	-87.1	-174.2	176	-179.8	-0.9	116.6
7	T	33.8	Very low	33.7	Very low	110 Å²	110	133.6 Å²	133.6	68%	0.675	72%	0.72	S	S	*	*	S	Bend	trans	-93.3	-12.6	-173	-5.2	0	0	0	0	115.1
8	K	31.8	Very low	33.9	Very low	195 Å²	195	129.8 Å²	129.8	85%	0.848	71%	0.705	S	S	*	*	H	α-helix	trans	-82.5	-22.1	-179.3	-76.2	-170.1	175.3	-174.7	0	114.3
9	T	35.2	Very low	34.1	Very low	103 Å²	103	124.7 Å²	124.7	63%	0.632	69%	0.686	S	S	*	*	H	α-helix	trans	-82.1	-28.9	-177	-19	0	0	0	0	113	T13	T9-T13 PolarHBondContact O-N 3.25Å; T9-T13 PolarHBondContact O-OG1 3.39Å; T9-T13 VanDerWaalsContact O-OG1 3.08Å
10	L	33.3	Very low	34.4	Very low	124 Å²	124	124.7 Å²	124.7	65%	0.649	68%	0.682	S	S	*	*	H	α-helix	trans	-75.1	-32.8	179.8	-95.5	145	0	0	0	113.7	T13 C14	L10-T13 PolarHBondContact O-OG1 2.87Å; L10-C14 PolarHBondContact O-N 3.37Å
11	V	35.3	Very low	34.8	Very low	97 Å²	97	122.7 Å²	122.7	59%	0.588	67%	0.674	S	S	*	*	H	α-helix	trans	-72.9	-33.9	177.6	-178.3	0	0	0	0	110.8	V15	V11-V15 VanDerWaalsContact O-CG2 3.32Å; V11-V15 WeakPolarHBondContact O-CG2 3.37Å; V11-V15 PolarHBondContact O-N 2.87Å
12	S	34.2	Very low	35.1	Very low	70 Å²	70	115.4 Å²	115.4	49%	0.49	64%	0.64	S	S	.	*	H	α-helix	trans	-72.7	-31.6	179.8	-156.5	0	0	0	0	113.1	I16	S12-I16 WeakPolarHBondContact O-CD1 3.43Å; S12-I16 VanDerWaalsContact O-CG1 3.29Å; S12-I16 WeakPolarHBondContact O-CG1 3.23Å; S12-I16 PolarHBondContact O-N 3.25Å
13	T	34.7	Very low	35.7	Very low	74 Å²	74	115.7 Å²	115.7	45%	0.454	63%	0.626	S	S	.	*	H	α-helix	trans	-75.1	-35.1	175.1	33.1	0	0	0	0	112.9	T9 L10 I16 L17	T9-T13 PolarHBondContact O-N 3.25Å; T9-T13 PolarHBondContact O-OG1 3.39Å; T9-T13 VanDerWaalsContact O-OG1 3.08Å; L10-T13 PolarHBondContact O-OG1 2.87Å; T13-I16 PolarHBondContact O-N 2.89Å; T13-L17 WeakPolarHBondContact O-CB 3.32Å; T13-L17 PolarHBondContact O-N 3.5Å
14	C	31.7	Very low	36.4	Very low	86 Å²	86	114.2 Å²	114.2	58%	0.581	61%	0.613	S	S	*	*	H	α-helix	trans	-66.2	-35.8	173.1	-88.6	0	0	0	0	113.2	L10 S18	L10-C14 PolarHBondContact O-N 3.37Å; C14-S18 WeakPolarHBondContact O-CB 3.41Å; C14-S18 PolarHBondContact O-N 2.83Å
15	V	38.8	Very low	36.7	Very low	99 Å²	99	111.1 Å²	111.1	60%	0.6	60%	0.597	S	S	*	*	H	α-helix	trans	-70.3	-35.2	177.2	174.9	0	0	0	0	111.6	V11 G19	V11-V15 VanDerWaalsContact O-CG2 3.32Å; V11-V15 WeakPolarHBondContact O-CG2 3.37Å; V11-V15 PolarHBondContact O-N 2.87Å; V15-G19 PolarHBondContact O-N 3.05Å
16	I	40.3	Very low	37.1	Very low	108 Å²	108	105.6 Å²	105.6	55%	0.554	59%	0.585	S	S	*	*	H	α-helix	trans	-72.2	-39.7	176.4	-65.7	170.2	0	0	0	111.2	S12 T13 G19 M20	S12-I16 WeakPolarHBondContact O-CD1 3.43Å; S12-I16 VanDerWaalsContact O-CG1 3.29Å; S12-I16 WeakPolarHBondContact O-CG1 3.23Å; S12-I16 PolarHBondContact O-N 3.25Å; T13-I16 PolarHBondContact O-N 2.89Å; I16-G19 PolarHBondContact O-N 2.88Å; I16-M20 WeakPolarHBondContact O-CG 3.4Å; I16-M20 PolarHBondContact O-N 2.91Å; I16-M20 VanDerWaalsContact O-N 3.09Å
17	L	35.1	Very low	37.7	Very low	118 Å²	118	100.5 Å²	100.5	62%	0.618	57%	0.574	S	S	*	*	H	α-helix	trans	-66.7	-36.5	175.6	-86.1	152.8	0	0	0	112.7	T13 T21	T13-L17 WeakPolarHBondContact O-CB 3.32Å; T13-L17 PolarHBondContact O-N 3.5Å; L17-T21 PolarHBondContact O-N 3.28Å; L17-T21 PolarHBondContact O-OG1 2.74Å
18	S	37.7	Very low	37.9	Very low	65 Å²	65	102.6 Å²	102.6	46%	0.455	57%	0.571	S	S	.	*	H	α-helix	trans	-71.2	-30.5	173	171.3	0	0	0	0	113.3	C14 T21 N22	C14-S18 WeakPolarHBondContact O-CB 3.41Å; C14-S18 PolarHBondContact O-N 2.83Å; S18-T21 PolarHBondContact O-OG1 3.02Å; S18-T21 VanDerWaalsContact O-OG1 3.09Å; S18-N22 PolarHBondContact O-N 3.27Å
19	G	37.8	Very low	38.3	Very low	33 Å²	33	97.3 Å²	97.3	34%	0.34	55%	0.554	S	S	.	*	H	α-helix	trans	-69.7	-37.9	173.8	0	0	0	0	0	112.8	V15 I16 I23	V15-G19 PolarHBondContact O-N 3.05Å; I16-G19 PolarHBondContact O-N 2.88Å; G19-I23 WeakPolarHBondContact O-CG1 3.35Å; G19-I23 PolarHBondContact O-N 2.84Å
20	M	40.2	Very low	38.3	Very low	124 Å²	124	94 Å²	94	61%	0.611	54%	0.541	S	S	*	.	H	α-helix	trans	-72.4	-36.3	179.2	-64.9	-126.5	-40.4	0	0	113.1	I16 N22 I23 V24	I16-M20 WeakPolarHBondContact O-CG 3.4Å; I16-M20 PolarHBondContact O-N 2.91Å; I16-M20 VanDerWaalsContact O-N 3.09Å; M20-N22 VanDerWaalsContact C-N 3.32Å; M20-N22 PolarHBondContact O-N 3.24Å; M20-I23 PolarHBondContact O-N 2.88Å; M20-V24 WeakPolarHBondContact O-CG2 3.47Å; M20-V24 PolarHBondContact O-N 3.29Å; M20-V24 VanDerWaalsContact O-N 3.12Å
21	T	41.9	Very low	38.6	Very low	82 Å²	82	96 Å²	96	50%	0.503	54%	0.54	S	S	.	.	H	α-helix	trans	-67.3	-32.6	175.6	46.2	0	0	0	0	112.5	L17 S18 C25	L17-T21 PolarHBondContact O-N 3.28Å; L17-T21 PolarHBondContact O-OG1 2.74Å; S18-T21 PolarHBondContact O-OG1 3.02Å; S18-T21 VanDerWaalsContact O-OG1 3.09Å; T21-C25 PolarHBondContact O-N 2.83Å; T21-C25 PolarHBondContact O-SG 2.89Å
22	N	42	Very low	38.5	Very low	95 Å²	95	93.7 Å²	93.7	51%	0.508	53%	0.526	S	S	.	.	H	α-helix	trans	-70.9	-36	174.1	-82.8	-19.4	0	0	0	113.1	S18 M20 C25 L26	S18-N22 PolarHBondContact O-N 3.27Å; M20-N22 VanDerWaalsContact C-N 3.32Å; M20-N22 PolarHBondContact O-N 3.24Å; N22-C25 PolarHBondContact O-N 3.21Å; N22-L26 WeakPolarHBondContact O-CB 3.4Å; N22-L26 VanDerWaalsContact O-CG 3.27Å; N22-L26 WeakPolarHBondContact O-CG 3.45Å; N22-L26 PolarHBondContact O-N 3.43Å
23	I	45.7	Very low	38.6	Very low	106 Å²	106	94.4 Å²	94.4	54%	0.544	53%	0.527	S	S	.	.	H	α-helix	trans	-69	-39.2	175.7	-68.9	169.9	0	0	0	110.9	G19 M20 L26 L27	G19-I23 WeakPolarHBondContact O-CG1 3.35Å; G19-I23 PolarHBondContact O-N 2.84Å; M20-I23 PolarHBondContact O-N 2.88Å; I23-L26 PolarHBondContact O-N 2.87Å; I23-L27 HydrophobicContact CG2-CD1 4.01Å; I23-L27 HydrophobicContact CG2-CG 4.47Å; I23-L27 WeakPolarHBondContact O-CB 3.49Å; I23-L27 VanDerWaalsContact O-CG 3.29Å; I23-L27 WeakPolarHBondContact O-CG 3.42Å; I23-L27 PolarHBondContact O-N 2.96Å
24	V	43.5	Very low	38.6	Very low	98 Å²	98	95.8 Å²	95.8	59%	0.594	53%	0.532	S	S	*	.	H	α-helix	trans	-67.1	-38.1	175.4	175.8	0	0	0	0	111.5	M20 L27 Y28	M20-V24 WeakPolarHBondContact O-CG2 3.47Å; M20-V24 PolarHBondContact O-N 3.29Å; M20-V24 VanDerWaalsContact O-N 3.12Å; V24-L27 PolarHBondContact O-N 2.94Å; V24-Y28 WeakPolarHBondContact O-CB 3.26Å; V24-Y28 PolarHBondContact O-N 3.15Å
25	C	36.3	Very low	38.8	Very low	76 Å²	76	98.1 Å²	98.1	51%	0.514	53%	0.53	S	S	.	.	H	α-helix	trans	-65	-41.6	172.4	-77.8	0	0	0	0	112.7	T21 N22 Y28 V29	T21-C25 PolarHBondContact O-N 2.83Å; T21-C25 PolarHBondContact O-SG 2.89Å; N22-C25 PolarHBondContact O-N 3.21Å; C25-Y28 PolarHBondContact O-N 3.03Å; C25-V29 WeakPolarHBondContact O-CB 3.44Å; C25-V29 VanDerWaalsContact O-CG2 3.26Å; C25-V29 WeakPolarHBondContact O-CG2 3.34Å; C25-V29 PolarHBondContact O-N 3.47Å
26	L	39	Very low	38.7	Very low	127 Å²	127	98.2 Å²	98.2	67%	0.665	53%	0.526	S	S	*	.	H	α-helix	trans	-67.5	-35.7	177.6	-73.5	167.6	0	0	0	112.4	N22 I23 G30	N22-L26 WeakPolarHBondContact O-CB 3.4Å; N22-L26 VanDerWaalsContact O-CG 3.27Å; N22-L26 WeakPolarHBondContact O-CG 3.45Å; N22-L26 PolarHBondContact O-N 3.43Å; I23-L26 PolarHBondContact O-N 2.87Å; L26-G30 PolarHBondContact O-N 2.03Å
27	L	43.3	Very low	38.6	Very low	121 Å²	121	96.5 Å²	96.5	63%	0.634	53%	0.527	S	S	*	.	H	α-helix	trans	-70.2	-36.5	173.6	-71.1	171.2	0	0	0	112	I23 V24 W31	I23-L27 HydrophobicContact CG2-CD1 4.01Å; I23-L27 HydrophobicContact CG2-CG 4.47Å; I23-L27 WeakPolarHBondContact O-CB 3.49Å; I23-L27 VanDerWaalsContact O-CG 3.29Å; I23-L27 WeakPolarHBondContact O-CG 3.42Å; I23-L27 PolarHBondContact O-N 2.96Å; V24-L27 PolarHBondContact O-N 2.94Å; L27-W31 VanDerWaalsContact O-CB 3.31Å; L27-W31 WeakPolarHBondContact O-CB 3.48Å; L27-W31 PolarHBondContact O-N 3.05Å
28	Y	37.9	Very low	38.6	Very low	154 Å²	154	96.9 Å²	96.9	60%	0.604	53%	0.53	S	S	*	.	H	α-helix	trans	-68.4	-45.1	175.4	-173.3	-102.1	0	0	0	111.9	V24 C25 W31 V32	V24-Y28 WeakPolarHBondContact O-CB 3.26Å; V24-Y28 PolarHBondContact O-N 3.15Å; C25-Y28 PolarHBondContact O-N 3.03Å; Y28-W31 PolarHBondContact O-N 3.05Å; Y28-V32 HydrophobicContact CD1-CG2 4.28Å; Y28-V32 HydrophobicContact CE1-CG2 3.99Å; Y28-V32 VanDerWaalsContact O-CG2 3.32Å; Y28-V32 WeakPolarHBondContact O-CG2 3.22Å; Y28-V32 PolarHBondContact O-N 2.91Å
29	V	41.3	Very low	38.5	Very low	84 Å²	84	98.3 Å²	98.3	51%	0.509	53%	0.531	S	S	.	.	H	α-helix	trans	-63	-43.5	174.2	173.5	0	0	0	0	110.6	C25 W31 V32 T33	C25-V29 WeakPolarHBondContact O-CB 3.44Å; C25-V29 VanDerWaalsContact O-CG2 3.26Å; C25-V29 WeakPolarHBondContact O-CG2 3.34Å; C25-V29 PolarHBondContact O-N 3.47Å; V29-W31 VanDerWaalsContact C-N 3.32Å; V29-W31 PolarHBondContact O-N 2.87Å; V29-V32 PolarHBondContact O-N 2.92Å; V29-T33 HydrophobicContact CG1-CG2 4.39Å; V29-T33 WeakPolarHBondContact O-CG2 3.41Å; V29-T33 PolarHBondContact O-N 2.86Å; V29-T33 PolarHBondContact O-OG1 3.3Å; V29-T33 VanDerWaalsContact O-OG1 3.04Å
30	G	34.1	Very low	38.1	Very low	34 Å²	34	106.3 Å²	106.3	35%	0.351	55%	0.553	S	S	.	*	H	α-helix	trans	-59.7	-40.3	174.3	0	0	0	0	0	113.1	L26 T33 N34	L26-G30 PolarHBondContact O-N 2.03Å; G30-T33 WeakPolarHBondContact CA-OG1 3.42Å; G30-T33 PolarHBondContact O-OG1 2.91Å; G30-N34 VanDerWaalsContact O-CB 3.3Å; G30-N34 WeakPolarHBondContact O-CB 3.35Å; G30-N34 PolarHBondContact O-N 3.21Å; G30-N34 VanDerWaalsContact O-N 3.08Å
31	W	39.3	Very low	37.4	Very low	166 Å²	166	107.5 Å²	107.5	63%	0.629	56%	0.56	S	S	*	*	H	α-helix	trans	-68.1	-43.9	176.5	-171.8	80.2	0	0	0	112.2	L27 Y28 V29 N34 Y35	L27-W31 VanDerWaalsContact O-CB 3.31Å; L27-W31 WeakPolarHBondContact O-CB 3.48Å; L27-W31 PolarHBondContact O-N 3.05Å; Y28-W31 PolarHBondContact O-N 3.05Å; V29-W31 VanDerWaalsContact C-N 3.32Å; V29-W31 PolarHBondContact O-N 2.87Å; W31-N34 PolarHBondContact O-N 3.31Å; W31-Y35 VanDerWaalsContact O-CB 3.31Å; W31-Y35 WeakPolarHBondContact O-CB 3.01Å; W31-Y35 PolarHBondContact O-N 3.46Å
32	V	33.7	Very low	36.9	Very low	48 Å²	48	113.1 Å²	113.1	29%	0.291	58%	0.577	S	S	.	*	H	α-helix	trans	-63.5	-42.7	176.1	172.4	0	0	0	0	111.3	Y28 V29 N34 Y35 I36	Y28-V32 HydrophobicContact CD1-CG2 4.28Å; Y28-V32 HydrophobicContact CE1-CG2 3.99Å; Y28-V32 VanDerWaalsContact O-CG2 3.32Å; Y28-V32 WeakPolarHBondContact O-CG2 3.22Å; Y28-V32 PolarHBondContact O-N 2.91Å; V29-V32 PolarHBondContact O-N 2.92Å; V32-N34 VanDerWaalsContact C-N 3.34Å; V32-N34 PolarHBondContact O-N 2.89Å; V32-Y35 PolarHBondContact O-N 3.07Å; V32-I36 HydrophobicContact CG1-CD1 3.98Å; V32-I36 WeakPolarHBondContact O-CG1 3.32Å; V32-I36 PolarHBondContact O-N 3.45Å
33	T	37.5	Very low	36	Very low	84 Å²	84	114.6 Å²	114.6	52%	0.515	59%	0.59	S	S	.	*	H	α-helix	trans	-66	-35.3	177.3	53.4	0	0	0	0	112.8	V29 G30 A37	V29-T33 HydrophobicContact CG1-CG2 4.39Å; V29-T33 WeakPolarHBondContact O-CG2 3.41Å; V29-T33 PolarHBondContact O-N 2.86Å; V29-T33 PolarHBondContact O-OG1 3.3Å; V29-T33 VanDerWaalsContact O-OG1 3.04Å; G30-T33 WeakPolarHBondContact CA-OG1 3.42Å; G30-T33 PolarHBondContact O-OG1 2.91Å; T33-A37 WeakPolarHBondContact O-CB 3.12Å; T33-A37 PolarHBondContact O-N 3.04Å; T33-A37 VanDerWaalsContact O-N 3.12Å
34	N	34	Very low	35.2	Very low	103 Å²	103	115.3 Å²	115.3	55%	0.551	60%	0.601	S	S	*	*	H	α-helix	trans	-79.5	-26.7	179.8	-150.3	-2.1	0	0	0	111.9	G30 W31 V32 N38	G30-N34 VanDerWaalsContact O-CB 3.3Å; G30-N34 WeakPolarHBondContact O-CB 3.35Å; G30-N34 PolarHBondContact O-N 3.21Å; G30-N34 VanDerWaalsContact O-N 3.08Å; W31-N34 PolarHBondContact O-N 3.31Å; V32-N34 VanDerWaalsContact C-N 3.34Å; V32-N34 PolarHBondContact O-N 2.89Å; N34-N38 PolarHBondContact O-N 3.44Å; N34-N38 PolarHBondContact O-ND2 3.37Å
35	Y	35.3	Very low	34.3	Very low	136 Å²	136	119.4 Å²	119.4	53%	0.533	62%	0.616	S	S	.	*	H	α-helix	trans	-71.1	-44.3	171.1	-174.2	-104.3	0	0	0	111.6	W31 V32 A37 N38 I39	W31-Y35 VanDerWaalsContact O-CB 3.31Å; W31-Y35 WeakPolarHBondContact O-CB 3.01Å; W31-Y35 PolarHBondContact O-N 3.46Å; V32-Y35 PolarHBondContact O-N 3.07Å; Y35-A37 PolarHBondContact O-N 2.85Å; Y35-N38 PolarHBondContact O-N 2.95Å; Y35-I39 HydrophobicContact CD1-CD1 3.82Å; Y35-I39 HydrophobicContact CD2-CD1 4.31Å; Y35-I39 HydrophobicContact CE1-CD1 3.34Å; Y35-I39 HydrophobicContact CE2-CD1 3.88Å; Y35-I39 HydrophobicContact CG-CD1 4.28Å; Y35-I39 PolarHBondContact O-N 3.04Å
36	I	36.9	Very low	33.8	Very low	101 Å²	101	121.5 Å²	121.5	52%	0.518	63%	0.629	S	S	.	*	H	α-helix	trans	-65	-37.6	176.8	-69.9	178.6	0	0	0	111.6	V32 N38	V32-I36 HydrophobicContact CG1-CD1 3.98Å; V32-I36 WeakPolarHBondContact O-CG1 3.32Å; V32-I36 PolarHBondContact O-N 3.45Å; I36-N38 VanDerWaalsContact C-N 3.32Å; I36-N38 PolarHBondContact O-N 3.39Å
37	A	38.5	Very low	33.4	Very low	71 Å²	71	123.8 Å²	123.8	59%	0.587	64%	0.641	S	S	*	*	H	α-helix	trans	-68.2	-26.1	177.9	0	0	0	0	0	114	T33 Y35	T33-A37 WeakPolarHBondContact O-CB 3.12Å; T33-A37 PolarHBondContact O-N 3.04Å; T33-A37 VanDerWaalsContact O-N 3.12Å; Y35-A37 PolarHBondContact O-N 2.85Å
38	N	34.4	Very low	32.5	Very low	127 Å²	127	122.9 Å²	122.9	68%	0.679	65%	0.651	S	S	*	*	H	α-helix	trans	-89.4	-11.7	-178.3	-83.5	-58.3	0	0	0	114.3	N34 Y35 I36	N34-N38 PolarHBondContact O-N 3.44Å; N34-N38 PolarHBondContact O-ND2 3.37Å; Y35-N38 PolarHBondContact O-N 2.95Å; I36-N38 VanDerWaalsContact C-N 3.32Å; I36-N38 PolarHBondContact O-N 3.39Å
39	I	35.1	Very low	32	Very low	94 Å²	94	122.7 Å²	122.7	48%	0.482	67%	0.666	S	S	.	*	H	α-helix	trans	-93.5	-18.2	-176.9	-71	174.9	0	0	0	113	Y35 I41	Y35-I39 HydrophobicContact CD1-CD1 3.82Å; Y35-I39 HydrophobicContact CD2-CD1 4.31Å; Y35-I39 HydrophobicContact CE1-CD1 3.34Å; Y35-I39 HydrophobicContact CE2-CD1 3.88Å; Y35-I39 HydrophobicContact CG-CD1 4.28Å; Y35-I39 PolarHBondContact O-N 3.04Å; I39-I41 PolarHBondContact O-N 3.39Å; I39-I41 VanDerWaalsContact O-N 3.08Å
40	Y	29.3	Very low	31.3	Very low	202 Å²	202	122.4 Å²	122.4	79%	0.792	68%	0.679	S	S	*	*			trans	-82.5	90.5	176	-91.2	-86.3	0	0	0	112.2
41	I	26.6	Very low	30.9	Very low	148 Å²	148	130 Å²	130	76%	0.759	70%	0.703	S	S	*	*			trans	-66.3	126.6	168.1	-68.5	173.7	0	0	0	109.7	I39 V43	I39-I41 PolarHBondContact O-N 3.39Å; I39-I41 VanDerWaalsContact O-N 3.08Å; I41-V43 PolarHBondContact O-N 2.82Å
42	K	30.2	Very low	30.3	Very low	200 Å²	200	128.4 Å²	128.4	87%	0.87	71%	0.706	S	S	*	*			trans	-58.2	124.1	170.2	-76.5	176.1	172.7	175.9	0	111.3
43	V	24.8	Very low	30	Very low	126 Å²	126	134.8 Å²	134.8	76%	0.764	73%	0.732	S	S	*	*			trans	-111.2	121	162.3	-178	0	0	0	0	108.4	I41	I41-V43 PolarHBondContact O-N 2.82Å
44	P	27.4	Very low	30.1	Very low	121 Å²	121	134.6 Å²	134.6	79%	0.786	75%	0.747	S	S	*	*			trans	-86.2	134.8	175.1	32.1	-28.6	0	0	0	110.6
45	M	24.4	Very low	29.9	Very low	185 Å²	185	135.4 Å²	135.4	91%	0.911	75%	0.751	S	S	*	*			trans	-108.5	150.2	167.2	-102.3	-165.9	164.7	0	0	111.6
46	P	27.2	Very low	30.2	Very low	120 Å²	120	138.3 Å²	138.3	78%	0.779	77%	0.767	S	S	*	*			trans	-90	155.3	-159.8	20.6	-6.7	0	0	0	114.4
47	L	29.2	Very low	30.1	Very low	174 Å²	174	141.6 Å²	141.6	91%	0.911	78%	0.777	S	S	*	*			trans	-64.5	137	172.1	-79.4	150.7	0	0	0	112.5
48	A	26.2	Very low	29.9	Very low	103 Å²	103	139.5 Å²	139.5	85%	0.851	76%	0.763	S	S	*	*			trans	-146.5	133.8	151.8	0	0	0	0	0	111.3
49	V	27.1	Very low	30.2	Very low	150 Å²	150	138 Å²	138	91%	0.909	76%	0.755	S	S	*	*			trans	-96.6	141.9	-179.8	170.1	0	0	0	0	109.6
50	G	26.4	Very low	30.7	Very low	77 Å²	77	137.6 Å²	137.6	79%	0.794	76%	0.757	S	S	*	*			trans	-177.8	130.5	165.7	0	0	0	0	0	112.5
51	K	26.1	Very low	31.2	Very low	195 Å²	195	133.1 Å²	133.1	85%	0.848	75%	0.746	S	S	*	*			trans	-102.9	154.3	-166.3	-127.7	-178.7	-177.2	179.7	0	112.1
52	L	27	Very low	31.9	Very low	132 Å²	132	134 Å²	134	69%	0.691	74%	0.74	S	S	*	*			trans	91.4	119.8	147.9	-72.8	154.9	0	0	0	122.1
53	E	27.2	Very low	32.9	Very low	181 Å²	181	129.4 Å²	129.4	85%	0.846	72%	0.724	S	S	*	*			trans	73.4	106.9	136.4	-79	170.6	177.6	0	0	122.5
54	G	38.7	Very low	33.8	Very low	81 Å²	81	129.1 Å²	129.1	84%	0.835	72%	0.716	S	S	*	*				92	79.3	116.8	0	0	0	0	0	118.8
55	D	30	Very low	34.5	Very low	119 Å²	119	129.1 Å²	129.1	64%	0.636	71%	0.705	S	S	*	*			trans	-162.3	109	148.1	-149.8	-13.6	0	0	0	113.2	K57 G58	D55-K57 PolarHBondContact O-N 3.39Å; D55-G58 PolarHBondContact O-N 2.92Å
56	K	41.4	Very low	35.6	Very low	198 Å²	198	129.2 Å²	129.2	86%	0.861	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-9.7	-176.9	-82.3	-175.7	176.9	179.4	0	114.2
57	K	36	Very low	36.5	Very low	169 Å²	169	128.2 Å²	128.2	74%	0.735	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-27.5	175.8	-114	178.2	176.4	-178.3	0	113	D55	D55-K57 PolarHBondContact O-N 3.39Å
58	G	33.4	Very low	37.1	Very low	28 Å²	28	124.9 Å²	124.9	29%	0.289	67%	0.666	S	S	.	*	H	α-helix	trans	-74.7	-30.6	179.7	0	0	0	0	0	113.6	D55 L61 R62	D55-G58 PolarHBondContact O-N 2.92Å; G58-L61 PolarHBondContact O-N 2.89Å; G58-R62 WeakPolarHBondContact O-CB 3.3Å; G58-R62 PolarHBondContact O-N 2.87Å
59	D	41.2	Very low	37.7	Very low	96 Å²	96	129.1 Å²	129.1	51%	0.513	66%	0.66	S	S	.	*	H	α-helix	trans	-71.8	-36.1	-179.7	-76	-23	0	0	0	112.5	R62 I63	D59-R62 PolarHBondContact O-N 3.39Å; D59-I63 WeakPolarHBondContact O-CB 3.37Å; D59-I63 WeakPolarHBondContact O-CD1 2.86Å; D59-I63 WeakPolarHBondContact O-CG1 3.27Å; D59-I63 PolarHBondContact O-N 2.7Å
60	T	44.8	Very low	38.4	Very low	85 Å²	85	127.3 Å²	127.3	52%	0.521	65%	0.645	S	S	.	*	H	α-helix	trans	-67	-39.4	174.2	-38.6	0	0	0	0	111.3	I63 M64	T60-I63 PolarHBondContact O-N 3.29Å; T60-M64 PolarHBondContact O-N 3.36Å
61	L	39.9	Very low	39.1	Very low	108 Å²	108	129 Å²	129	57%	0.565	63%	0.632	S	S	*	*	H	α-helix	trans	-66.8	-39.2	174.4	-113	125.1	0	0	0	112.1	G58 I63 M64 E65	G58-L61 PolarHBondContact O-N 2.89Å; L61-I63 VanDerWaalsContact C-N 3.34Å; L61-M64 PolarHBondContact O-N 2.78Å; L61-E65 WeakPolarHBondContact O-CB 3.09Å; L61-E65 WeakPolarHBondContact O-CG 3.44Å; L61-E65 PolarHBondContact O-N 3.23Å
62	R	41.3	Very low	39.6	Very low	166 Å²	166	122.4 Å²	122.4	63%	0.626	61%	0.611	S	S	*	*	H	α-helix	trans	-68.9	-30.5	174.3	-86.8	179.9	169.2	175.2	-1	113.5	G58 D59 R66	G58-R62 WeakPolarHBondContact O-CB 3.3Å; G58-R62 PolarHBondContact O-N 2.87Å; D59-R62 PolarHBondContact O-N 3.39Å; R62-R66 VanDerWaalsContact O-CB 3.29Å; R62-R66 WeakPolarHBondContact O-CB 3.42Å; R62-R66 VanDerWaalsContact O-CG 3.23Å; R62-R66 WeakPolarHBondContact O-CG 3.37Å; R62-R66 PolarHBondContact O-N 3.04Å
63	I	50.7	Low	40.2	Very low	103 Å²	103	119.9 Å²	119.9	53%	0.528	60%	0.601	S	S	.	*	H	α-helix	trans	-72.7	-42.3	173.9	-70.2	164.1	0	0	0	109.7	D59 T60 L61 R66 L67	D59-I63 WeakPolarHBondContact O-CB 3.37Å; D59-I63 WeakPolarHBondContact O-CD1 2.86Å; D59-I63 WeakPolarHBondContact O-CG1 3.27Å; D59-I63 PolarHBondContact O-N 2.7Å; T60-I63 PolarHBondContact O-N 3.29Å; L61-I63 VanDerWaalsContact C-N 3.34Å; I63-R66 PolarHBondContact O-N 3.18Å; I63-L67 HydrophobicContact CG2-CD1 3.95Å; I63-L67 WeakPolarHBondContact O-CB 3.29Å; I63-L67 WeakPolarHBondContact O-CG 3.23Å; I63-L67 PolarHBondContact O-N 3.29Å
64	M	43.9	Very low	40.9	Very low	121 Å²	121	115.2 Å²	115.2	60%	0.596	58%	0.584	S	S	*	*	H	α-helix	trans	-62.3	-46	172.1	-79.8	177.1	156.3	0	0	112	T60 L61 R66 L67 D68	T60-M64 PolarHBondContact O-N 3.36Å; L61-M64 PolarHBondContact O-N 2.78Å; M64-R66 VanDerWaalsContact C-N 3.26Å; M64-R66 PolarHBondContact O-N 3.28Å; M64-L67 PolarHBondContact O-N 2.78Å; M64-L67 VanDerWaalsContact O-N 3.15Å; M64-D68 PolarHBondContact O-N 3.47Å
65	E	43.5	Very low	40.8	Very low	121 Å²	121	115 Å²	115	57%	0.565	56%	0.564	S	S	*	*	H	α-helix	trans	-63.2	-30.8	175.1	-80.8	-177.6	157.5	0	0	112.9	L61 R69	L61-E65 WeakPolarHBondContact O-CB 3.09Å; L61-E65 WeakPolarHBondContact O-CG 3.44Å; L61-E65 PolarHBondContact O-N 3.23Å; E65-R69 WeakPolarHBondContact O-CB 3.41Å; E65-R69 PolarHBondContact O-N 3.23Å
66	R	45.6	Very low	41	Very low	186 Å²	186	115.2 Å²	115.2	70%	0.702	56%	0.561	S	S	*	*	H	α-helix	trans	-75.6	-34.5	174.5	-82.2	177.1	171.2	-167.9	-2.5	112.4	R62 I63 M64 R69 L70	R62-R66 VanDerWaalsContact O-CB 3.29Å; R62-R66 WeakPolarHBondContact O-CB 3.42Å; R62-R66 VanDerWaalsContact O-CG 3.23Å; R62-R66 WeakPolarHBondContact O-CG 3.37Å; R62-R66 PolarHBondContact O-N 3.04Å; I63-R66 PolarHBondContact O-N 3.18Å; M64-R66 VanDerWaalsContact C-N 3.26Å; M64-R66 PolarHBondContact O-N 3.28Å; R66-R69 PolarHBondContact O-N 3Å; R66-L70 WeakPolarHBondContact O-CB 3.47Å; R66-L70 WeakPolarHBondContact O-CG 3.44Å; R66-L70 PolarHBondContact O-N 3.1Å
67	L	46.3	Very low	40.9	Very low	100 Å²	100	113.2 Å²	113.2	52%	0.524	55%	0.554	S	S	.	*	H	α-helix	trans	-69.1	-45.6	172.9	-77.3	162.2	0	0	0	110.6	I63 M64 R69 L70 E71	I63-L67 HydrophobicContact CG2-CD1 3.95Å; I63-L67 WeakPolarHBondContact O-CB 3.29Å; I63-L67 WeakPolarHBondContact O-CG 3.23Å; I63-L67 PolarHBondContact O-N 3.29Å; M64-L67 PolarHBondContact O-N 2.78Å; M64-L67 VanDerWaalsContact O-N 3.15Å; L67-R69 VanDerWaalsContact C-N 3.27Å; L67-R69 PolarHBondContact O-N 2.99Å; L67-L70 PolarHBondContact O-N 2.88Å; L67-L70 VanDerWaalsContact O-N 3.09Å; L67-E71 VanDerWaalsContact O-CB 3.31Å; L67-E71 WeakPolarHBondContact O-CB 3.37Å; L67-E71 PolarHBondContact O-N 2.76Å
68	D	41.7	Very low	41.1	Very low	104 Å²	104	111.2 Å²	111.2	56%	0.556	55%	0.55	S	S	*	*	H	α-helix	trans	-60.2	-36.4	172.5	-84.3	-7.8	0	0	0	111.8	M64 S72	M64-D68 PolarHBondContact O-N 3.47Å; D68-S72 WeakPolarHBondContact O-CB 3.17Å; D68-S72 PolarHBondContact O-N 3.21Å
69	R	39.2	Very low	41	Very low	192 Å²	192	117.2 Å²	117.2	73%	0.725	57%	0.571	S	S	*	*	H	α-helix	trans	-69.7	-39.3	173.3	-111.9	-178.8	172.5	-164.2	-1.5	112.7	E65 R66 L67 V73	E65-R69 WeakPolarHBondContact O-CB 3.41Å; E65-R69 PolarHBondContact O-N 3.23Å; R66-R69 PolarHBondContact O-N 3Å; L67-R69 VanDerWaalsContact C-N 3.27Å; L67-R69 PolarHBondContact O-N 2.99Å; R69-V73 WeakPolarHBondContact O-CB 3.42Å; R69-V73 WeakPolarHBondContact O-CG2 3.44Å; R69-V73 PolarHBondContact O-N 2.87Å
70	L	41.9	Very low	40.4	Very low	111 Å²	111	120.4 Å²	120.4	58%	0.581	58%	0.583	S	S	*	*	H	α-helix	trans	-68.1	-40.5	176.8	-87	158	0	0	0	110.7	R66 L67 V73 V74	R66-L70 WeakPolarHBondContact O-CB 3.47Å; R66-L70 WeakPolarHBondContact O-CG 3.44Å; R66-L70 PolarHBondContact O-N 3.1Å; L67-L70 PolarHBondContact O-N 2.88Å; L67-L70 VanDerWaalsContact O-N 3.09Å; L70-V73 PolarHBondContact O-N 2.85Å; L70-V74 WeakPolarHBondContact O-CB 3.44Å; L70-V74 VanDerWaalsContact O-CG2 3.27Å; L70-V74 WeakPolarHBondContact O-CG2 3.46Å; L70-V74 PolarHBondContact O-N 2.58Å
71	E	41.8	Very low	39.7	Very low	113 Å²	113	122.6 Å²	122.6	53%	0.528	60%	0.596	S	S	.	*	H	α-helix	trans	-69	-38.8	175.2	-164.6	165.1	-149.3	0	0	111.3	L67 V73 V74 N75	L67-E71 VanDerWaalsContact O-CB 3.31Å; L67-E71 WeakPolarHBondContact O-CB 3.37Å; L67-E71 PolarHBondContact O-N 2.76Å; E71-V73 VanDerWaalsContact C-N 3.33Å; E71-V73 PolarHBondContact O-N 3.1Å; E71-V74 PolarHBondContact O-N 3.28Å; E71-N75 WeakPolarHBondContact O-CB 3.23Å; E71-N75 PolarHBondContact O-N 3.42Å; E71-N75 PolarHBondContact O-ND2 2.88Å
72	S	35.9	Very low	39.5	Very low	57 Å²	57	122.8 Å²	122.8	40%	0.399	60%	0.604	S	S	.	*	H	α-helix	trans	-63.1	-34.2	169.2	168.7	0	0	0	0	112.9	D68 Q76	D68-S72 WeakPolarHBondContact O-CB 3.17Å; D68-S72 PolarHBondContact O-N 3.21Å; S72-Q76 VanDerWaalsContact O-CB 3.25Å; S72-Q76 WeakPolarHBondContact O-CB 3.19Å; S72-Q76 WeakPolarHBondContact O-CG 2.96Å; S72-Q76 PolarHBondContact O-N 3.31Å
73	V	40.6	Very low	38.9	Very low	79 Å²	79	118.4 Å²	118.4	48%	0.479	61%	0.611	S	S	.	*	H	α-helix	trans	-76.7	-38.1	178.2	167	0	0	0	0	110.8	R69 L70 E71 Q76 H77	R69-V73 WeakPolarHBondContact O-CB 3.42Å; R69-V73 WeakPolarHBondContact O-CG2 3.44Å; R69-V73 PolarHBondContact O-N 2.87Å; L70-V73 PolarHBondContact O-N 2.85Å; E71-V73 VanDerWaalsContact C-N 3.33Å; E71-V73 PolarHBondContact O-N 3.1Å; V73-Q76 PolarHBondContact O-N 3.17Å; V73-H77 PolarHBondContact O-N 3.13Å
74	V	40.8	Very low	37.9	Very low	83 Å²	83	123.4 Å²	123.4	50%	0.503	63%	0.629	S	S	.	*	H	α-helix	trans	-65.1	-43	171.2	171.3	0	0	0	0	110.4	L70 E71 H77 I78	L70-V74 WeakPolarHBondContact O-CB 3.44Å; L70-V74 VanDerWaalsContact O-CG2 3.27Å; L70-V74 WeakPolarHBondContact O-CG2 3.46Å; L70-V74 PolarHBondContact O-N 2.58Å; E71-V74 PolarHBondContact O-N 3.28Å; V74-H77 WeakPolarHBondContact O-CB 3.35Å; V74-H77 PolarHBondContact O-N 3.4Å; V74-I78 HydrophobicContact CG1-CD1 4.04Å; V74-I78 VanDerWaalsContact O-CG1 3.3Å; V74-I78 WeakPolarHBondContact O-CG1 3.45Å; V74-I78 PolarHBondContact O-N 2.89Å
75	N	36.4	Very low	37.2	Very low	76 Å²	76	120.9 Å²	120.9	41%	0.406	63%	0.634	S	S	.	*	H	α-helix	trans	-70.5	-31.9	176.2	-73.2	-27.6	0	0	0	112.8	E71 I78 Q79	E71-N75 WeakPolarHBondContact O-CB 3.23Å; E71-N75 PolarHBondContact O-N 3.42Å; E71-N75 PolarHBondContact O-ND2 2.88Å; N75-I78 CarbonylContact O-C 3.52Å; N75-I78 PolarHBondContact O-N 2.83Å; N75-Q79 WeakPolarHBondContact O-CB 3.28Å; N75-Q79 WeakPolarHBondContact O-CG 3.45Å; N75-Q79 PolarHBondContact O-N 2.77Å
76	Q	35.5	Very low	36.8	Very low	123 Å²	123	124.2 Å²	124.2	58%	0.575	65%	0.649	S	S	*	*	H	α-helix	trans	-67.1	-37	168.5	-91.3	-176.1	-34.6	0	0	112	S72 V73 I78 Q79 E80	S72-Q76 VanDerWaalsContact O-CB 3.25Å; S72-Q76 WeakPolarHBondContact O-CB 3.19Å; S72-Q76 WeakPolarHBondContact O-CG 2.96Å; S72-Q76 PolarHBondContact O-N 3.31Å; V73-Q76 PolarHBondContact O-N 3.17Å; Q76-I78 PolarHBondContact O-N 2.83Å; Q76-Q79 CarbonylContact O-C 3.55Å; Q76-Q79 PolarHBondContact O-N 3.43Å; Q76-Q79 VanDerWaalsContact O-N 3.16Å; Q76-E80 PolarHBondContact O-N 3.06Å
77	H	37.8	Very low	36.7	Very low	156 Å²	156	123.6 Å²	123.6	72%	0.722	66%	0.66	S	S	*	*	H	α-helix	trans	-65.7	-26.7	171.1	-108.3	52.4	0	0	0	112.8	V73 V74	V73-H77 PolarHBondContact O-N 3.13Å; V74-H77 WeakPolarHBondContact O-CB 3.35Å; V74-H77 PolarHBondContact O-N 3.4Å
78	I	40.1	Very low	36.4	Very low	127 Å²	127	122.4 Å²	122.4	65%	0.651	67%	0.672	S	S	*	*	H	α-helix	trans	-83.2	-21.5	173.5	-65.6	164.7	0	0	0	111.7	V74 N75 Q76	V74-I78 HydrophobicContact CG1-CD1 4.04Å; V74-I78 VanDerWaalsContact O-CG1 3.3Å; V74-I78 WeakPolarHBondContact O-CG1 3.45Å; V74-I78 PolarHBondContact O-N 2.89Å; N75-I78 CarbonylContact O-C 3.52Å; N75-I78 PolarHBondContact O-N 2.83Å; Q76-I78 PolarHBondContact O-N 2.83Å
79	Q	31.9	Very low	36.3	Very low	155 Å²	155	125.1 Å²	125.1	72%	0.724	69%	0.686	S	S	*	*			trans	-106.2	21.3	-177.6	-76.7	-168.9	-6.5	0	0	115.6	N75 Q76 T81	N75-Q79 WeakPolarHBondContact O-CB 3.28Å; N75-Q79 WeakPolarHBondContact O-CG 3.45Å; N75-Q79 PolarHBondContact O-N 2.77Å; Q76-Q79 CarbonylContact O-C 3.55Å; Q76-Q79 PolarHBondContact O-N 3.43Å; Q76-Q79 VanDerWaalsContact O-N 3.16Å; Q79-T81 PolarHBondContact O-N 2.91Å
80	E	29.7	Very low	36.4	Very low	162 Å²	162	120.7 Å²	120.7	76%	0.757	68%	0.682	S	S	*	*			trans	-71.9	101	170.3	-72.5	-165.5	170.1	0	0	111.4	Q76	Q76-E80 PolarHBondContact O-N 3.06Å
81	T	29.8	Very low	36.5	Very low	131 Å²	131	119.1 Å²	119.1	80%	0.804	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-53	157.5	164.5	6.1	0	0	0	0	112.5	Q79	Q79-T81 PolarHBondContact O-N 2.91Å
82	P	34.8	Very low	36.9	Very low	112 Å²	112	119 Å²	119	73%	0.727	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-75.9	132	-144.7	30.8	-18.9	0	0	0	112.2	K84	P82-K84 PolarHBondContact O-N 3.08Å; P82-K84 VanDerWaalsContact O-N 3.12Å
83	G	28	Very low	37.8	Very low	75 Å²	75	120 Å²	120	77%	0.773	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-56.5	118.4	159.3	0	0	0	0	0	108.8	G85	G83-G85 PolarHBondContact O-N 3.07Å
84	K	30.2	Very low	38.4	Very low	208 Å²	208	118.2 Å²	118.2	90%	0.904	67%	0.674	S	S	*	*			trans	-52.9	112	158.8	-86.9	179.4	171.3	178.8	0	106.3	P82 E86	P82-K84 PolarHBondContact O-N 3.08Å; P82-K84 VanDerWaalsContact O-N 3.12Å; K84-E86 PolarHBondContact O-N 2.86Å
85	G	30.4	Very low	39	Very low	68 Å²	68	117.3 Å²	117.3	70%	0.701	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-57.9	123	173.6	0	0	0	0	0	109.1	G83	G83-G85 PolarHBondContact O-N 3.07Å
86	E	35.2	Very low	40.2	Very low	190 Å²	190	120.8 Å²	120.8	89%	0.888	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-64.8	135	148	-79	-171.6	151	0	0	107.5	K84 G88	K84-E86 PolarHBondContact O-N 2.86Å; E86-G88 PolarHBondContact O-N 3.49Å
87	D	42.2	Very low	42	Very low	173 Å²	173	116.3 Å²	116.3	93%	0.925	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.5	129.3	-170.3	-70.5	-54.3	0	0	0	113.4
88	G	40.9	Very low	43.9	Very low	76 Å²	76	112.2 Å²	112.2	78%	0.784	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	111.1	11	144.9	0	0	0	0	0	119.8	E86	E86-G88 PolarHBondContact O-N 3.49Å
89	L	38.3	Very low	46	Very low	161 Å²	161	106.2 Å²	106.2	84%	0.843	63%	0.63	S	S	*	*			trans	-119.6	130.2	173.6	-77.3	156.3	0	0	0	111.9	D91	L89-D91 PolarHBondContact O-N 2.9Å
90	P	41.5	Very low	48.7	Very low	99 Å²	99	98.9 Å²	98.9	64%	0.643	60%	0.596	S	S	*	*			trans	-67	120.1	176.7	25.9	-30.5	0	0	0	109.9	T92	P90-T92 PolarHBondContact O-N 2.9Å
91	D	44.7	Very low	51.2	Low	78 Å²	78	94.1 Å²	94.1	42%	0.417	58%	0.584	S	S	.	*			trans	-65.2	100.9	176.1	-174.9	3.1	0	0	0	109.9	L89 S93 F94 R113	L89-D91 PolarHBondContact O-N 2.9Å; D91-S93 VanDerWaalsContact C-N 3.27Å; D91-S93 PolarHBondContact O-N 2.84Å; D91-S93 VanDerWaalsContact OD1-CB 3.3Å; D91-S93 WeakPolarHBondContact OD1-CB 3.44Å; D91-S93 PolarHBondContact OD1-N 2.04Å; D91-S93 PolarHBondContact OD1-OG 2.92Å; D91-F94 WeakPolarHBondContact OD2-CE2 3.39Å; D91-R113 IonicContact OD2-NH2 3.03Å; D91-R113 PolarHBondContact OD2-NH2 3.31Å
92	T	51.1	Low	53.7	Low	110 Å²	110	95.1 Å²	95.1	68%	0.675	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-82.8	4	-178.6	52.8	0	0	0	0	113.5	P90 F94 S95	P90-T92 PolarHBondContact O-N 2.9Å; T92-F94 PolarHBondContact O-N 2.92Å; T92-F94 VanDerWaalsContact O-N 3.09Å; T92-S95 PolarHBondContact O-N 3.5Å; T92-S95 PolarHBondContact O-OG 3.13Å
93	S	54.6	Low	56.2	Low	79 Å²	79	92.4 Å²	92.4	55%	0.552	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-65	-13.3	-175	62.2	0	0	0	0	115.1	D91	D91-S93 VanDerWaalsContact C-N 3.27Å; D91-S93 PolarHBondContact O-N 2.84Å; D91-S93 VanDerWaalsContact OD1-CB 3.3Å; D91-S93 WeakPolarHBondContact OD1-CB 3.44Å; D91-S93 PolarHBondContact OD1-N 2.04Å; D91-S93 PolarHBondContact OD1-OG 2.92Å
94	F	53.3	Low	58.8	Low	40 Å²	40	89.3 Å²	89.3	18%	0.175	52%	0.523	C	S	.	.	G	3₁₀ helix	trans	-94.5	-2.8	-176.7	-57.4	-74.6	0	0	0	114.9	D91 T92 D96 R113 L116	D91-F94 WeakPolarHBondContact OD2-CE2 3.39Å; T92-F94 PolarHBondContact O-N 2.92Å; T92-F94 VanDerWaalsContact O-N 3.09Å; F94-D96 PolarHBondContact O-N 2.93Å; F94-R113 HydrophobicContact CE1-CG 4.27Å; F94-R113 HydrophobicContact CZ-CG 4.12Å; F94-L116 HydrophobicContact CD1-CD2 3.74Å; F94-L116 HydrophobicContact CE1-CD2 4.34Å
95	S	53.3	Low	61.4	Low	65 Å²	65	85 Å²	85	46%	0.455	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.9	-175.3	57.5	0	0	0	0	114.8	T92	T92-S95 PolarHBondContact O-N 3.5Å; T92-S95 PolarHBondContact O-OG 3.13Å
96	D	60.4	Low	64	Low	149 Å²	149	91.1 Å²	91.1	80%	0.797	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	2.6	-165.9	-63.7	-1.4	0	0	0	113.6	F94	F94-D96 PolarHBondContact O-N 2.93Å
97	S	73.6	Confident	66.6	Low	28 Å²	28	83.9 Å²	83.9	20%	0.196	48%	0.483	C	S	.	.			trans	-70.4	133.3	174.8	179	0	0	0	0	111.2	L99 F100 L116	S97-L99 PolarHBondContact O-N 3.03Å; S97-L99 VanDerWaalsContact O-N 3.08Å; S97-L99 PolarHBondContact OG-N 3.37Å; S97-F100 PolarHBondContact O-N 2.84Å; S97-L116 WeakPolarHBondContact OG-CD1 2.98Å
98	S	77.5	Confident	68.8	Low	71 Å²	71	78.1 Å²	78.1	50%	0.497	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-56.5	-25.5	175.8	58.3	0	0	0	0	113.2	F100 A101	S98-F100 PolarHBondContact O-N 3.42Å; S98-A101 VanDerWaalsContact O-CB 3.32Å; S98-A101 WeakPolarHBondContact O-CB 3.35Å; S98-A101 PolarHBondContact O-N 3.35Å
99	L	84.8	Confident	71.1	Confident	0 Å²	0	78 Å²	78	0%	0	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-56	-36.5	174.6	177.8	63.9	0	0	0	113	S97 F119 N125 D288	S97-L99 PolarHBondContact O-N 3.03Å; S97-L99 VanDerWaalsContact O-N 3.08Å; S97-L99 PolarHBondContact OG-N 3.37Å; L99-F119 HydrophobicContact CB-CD1 4.1Å; L99-F119 HydrophobicContact CB-CE1 4.2Å; L99-F119 HydrophobicContact CB-CG 4.3Å; L99-F119 HydrophobicContact CD1-CB 4.4Å; L99-F119 HydrophobicContact CD1-CD2 3.76Å; L99-F119 HydrophobicContact CD1-CE2 4.18Å; L99-F119 HydrophobicContact CD1-CG 4.01Å; L99-F119 HydrophobicContact CD2-CB 3.53Å; L99-F119 HydrophobicContact CD2-CD1 4.1Å; L99-F119 HydrophobicContact CD2-CD2 4.35Å; L99-F119 HydrophobicContact CD2-CG 3.74Å; L99-F119 HydrophobicContact CG-CB 4.48Å; L99-F119 HydrophobicContact CG-CD2 4.45Å; L99-F119 HydrophobicContact CG-CG 4.23Å; L99-N125 HydrophobicContact CD1-CB 3.89Å; L99-D288 HydrophobicContact CD1-CB 4.16Å
100	F	88.1	Confident	73.5	Confident	2 Å²	2	75.6 Å²	75.6	1%	0.009	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-95.5	7.1	-174.7	-55.9	-58.4	0	0	0	113.5	S97 S98 H102 W103 Q105 R112 A115 L116	S97-F100 PolarHBondContact O-N 2.84Å; S98-F100 PolarHBondContact O-N 3.42Å; F100-H102 VanDerWaalsContact C-N 3.28Å; F100-H102 PolarHBondContact O-N 3.38Å; F100-W103 CarbonylContact C-O 3.49Å; F100-W103 WeakPolarHBondContact CA-O 3.43Å; F100-W103 HydrophobicContact CD1-CE3 4.21Å; F100-W103 HydrophobicContact CD1-CZ3 4.32Å; F100-W103 HydrophobicContact CE1-CE3 4.32Å; F100-W103 AromaticContact CE1-CZ3 3.97Å; F100-W103 HydrophobicContact CE1-CZ3 3.97Å; F100-Q105 PolarHBondContact O-NE2 2.94Å; F100-R112 HydrophobicContact CE1-CB 4.4Å; F100-R112 HydrophobicContact CE1-CG 4.29Å; F100-R112 HydrophobicContact CE2-CB 4.17Å; F100-R112 HydrophobicContact CZ-CB 3.85Å; F100-R112 HydrophobicContact CZ-CG 4.21Å; F100-R112 WeakPolarHBondContact CZ-O 3.18Å; F100-A115 HydrophobicContact CE1-CB 4.1Å; F100-A115 HydrophobicContact CZ-CB 4.08Å; F100-L116 HydrophobicContact CE2-CB 4.29Å; F100-L116 HydrophobicContact CZ-CB 4.33Å
101	A	83.5	Confident	75.8	Confident	61 Å²	61	73.7 Å²	73.7	50%	0.504	42%	0.415	S	S	.	.	S	Bend	trans	-61.5	-37.5	179.8	0	0	0	0	0	112.3	S98	S98-A101 VanDerWaalsContact O-CB 3.32Å; S98-A101 WeakPolarHBondContact O-CB 3.35Å; S98-A101 PolarHBondContact O-N 3.35Å
102	H	81.2	Confident	78	Confident	153 Å²	153	71.9 Å²	71.9	71%	0.708	40%	0.402	S	S	*	.	S	Bend	trans	-120.9	-8.8	-176.3	-58.8	-53.8	0	0	0	114.2	F100 D288 T289	F100-H102 VanDerWaalsContact C-N 3.28Å; F100-H102 PolarHBondContact O-N 3.38Å; H102-D288 IonicContact CD2-OD2 3.43Å; H102-T289 HydrophobicContact CB-CG2 4.48Å
103	W	86.7	Confident	79.9	Confident	54 Å²	54	72.3 Å²	72.3	21%	0.205	39%	0.391	C	S	.	.	S	Bend	trans	-143.2	160.2	-174.4	178.5	87.9	0	0	0	111.9	F100 Q105 L107 A115 N125 Y127 L128 T289	F100-W103 CarbonylContact C-O 3.49Å; F100-W103 WeakPolarHBondContact CA-O 3.43Å; F100-W103 HydrophobicContact CD1-CE3 4.21Å; F100-W103 HydrophobicContact CD1-CZ3 4.32Å; F100-W103 HydrophobicContact CE1-CE3 4.32Å; F100-W103 AromaticContact CE1-CZ3 3.97Å; F100-W103 HydrophobicContact CE1-CZ3 3.97Å; W103-Q105 PolarHBondContact O-N 2.88Å; W103-L107 HydrophobicContact CH2-CD1 3.47Å; W103-L107 VanDerWaalsContact CH2-CD1 3.47Å; W103-L107 HydrophobicContact CZ2-CD1 4.17Å; W103-L107 HydrophobicContact CZ3-CD1 3.71Å; W103-A115 HydrophobicContact CZ3-CB 4.31Å; W103-N125 WeakPolarHBondContact CH2-ND2 3.35Å; W103-N125 WeakPolarHBondContact CZ3-ND2 3.39Å; W103-Y127 AromaticContact CH2-CD1 3.62Å; W103-Y127 HydrophobicContact CH2-CD1 3.62Å; W103-Y127 HydrophobicContact CH2-CE1 4.04Å; W103-Y127 HydrophobicContact CZ2-CD1 4.24Å; W103-Y127 HydrophobicContact CZ2-CE1 4.48Å; W103-L128 HydrophobicContact CH2-CB 4.28Å; W103-L128 HydrophobicContact CZ2-CB 3.83Å; W103-L128 HydrophobicContact CZ2-CD1 3.98Å; W103-L128 HydrophobicContact CZ2-CD2 4.42Å; W103-L128 HydrophobicContact CZ2-CG 4.29Å; W103-T289 HydrophobicContact CB-CG2 4.23Å
104	G	83.4	Confident	81.7	Confident	10 Å²	10	72.1 Å²	72.1	10%	0.103	39%	0.387	C	S	.	.			trans	80	9.9	168.4	0	0	0	0	0	115.9	E106 L107 R112	G104-E106 PolarHBondContact O-N 2.92Å; G104-L107 WeakPolarHBondContact O-CB 3.28Å; G104-L107 PolarHBondContact O-N 3.35Å; G104-L107 VanDerWaalsContact O-N 3.11Å; G104-R112 PolarHBondContact O-NE 3.12Å
105	Q	83.8	Confident	83.6	Confident	118 Å²	118	70.2 Å²	70.2	55%	0.551	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-28.8	179	-67.8	-63	-9.3	0	0	113.2	F100 W103 L107 R112	F100-Q105 PolarHBondContact O-NE2 2.94Å; W103-Q105 PolarHBondContact O-N 2.88Å; Q105-L107 VanDerWaalsContact C-N 3.35Å; Q105-R112 VanDerWaalsContact C-NH2 3.31Å; Q105-R112 VanDerWaalsContact CA-NH2 3.29Å; Q105-R112 PolarHBondContact O-NH2 3.3Å; Q105-R112 VanDerWaalsContact OE1-NH2 3.11Å
106	E	86.4	Confident	85.4	Confident	197 Å²	197	68 Å²	68	92%	0.921	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-5.5	179.1	-57.3	-174.3	-178.2	0	0	113.7	G104	G104-E106 PolarHBondContact O-N 2.92Å
107	L	88.3	Confident	86.9	Confident	37 Å²	37	68.5 Å²	68.5	19%	0.194	36%	0.356	C	S	.	.	S	Bend	trans	-73.9	137.5	-178.8	-65.1	177	0	0	0	111.4	W103 G104 Q105 N111 R112 Y127	W103-L107 HydrophobicContact CH2-CD1 3.47Å; W103-L107 VanDerWaalsContact CH2-CD1 3.47Å; W103-L107 HydrophobicContact CZ2-CD1 4.17Å; W103-L107 HydrophobicContact CZ3-CD1 3.71Å; G104-L107 WeakPolarHBondContact O-CB 3.28Å; G104-L107 PolarHBondContact O-N 3.35Å; G104-L107 VanDerWaalsContact O-N 3.11Å; Q105-L107 VanDerWaalsContact C-N 3.35Å; L107-N111 HydrophobicContact CB-CB 4.19Å; L107-N111 HydrophobicContact CD2-CB 4.24Å; L107-R112 HydrophobicContact CB-CG 3.65Å; L107-R112 HydrophobicContact CD1-CG 4.45Å; L107-R112 PolarHBondContact O-NE 3.29Å; L107-R112 VanDerWaalsContact O-NE 3.14Å; L107-Y127 HydrophobicContact CD1-CE1 4.19Å; L107-Y127 HydrophobicContact CD2-CE1 4.16Å
108	S	90.1	Very high	87.8	Confident	53 Å²	53	68.6 Å²	68.6	37%	0.371	36%	0.356	S	S	.	.			trans	-57.8	153.9	167.2	60.6	0	0	0	0	111.4	D110 N111 R112	S108-D110 VanDerWaalsContact C-N 3.29Å; S108-D110 PolarHBondContact O-N 3.15Å; S108-N111 PolarHBondContact O-N 2.89Å; S108-N111 VanDerWaalsContact O-N 3.08Å; S108-N111 PolarHBondContact OG-ND2 3.3Å; S108-N111 VanDerWaalsContact OG-ND2 3.09Å; S108-R112 PolarHBondContact O-N 3.28Å
109	P	87.6	Confident	88.5	Confident	74 Å²	74	65.9 Å²	65.9	48%	0.481	34%	0.335	S	S	.	.	H	α-helix	trans	-50.7	-42.8	179.6	-29.1	35.8	0	0	0	114.5	N111 R112 R113	P109-N111 PolarHBondContact O-N 3.5Å; P109-R112 PolarHBondContact O-N 3.01Å; P109-R113 PolarHBondContact O-N 3.41Å
110	D	88.9	Confident	88.8	Confident	109 Å²	109	71.5 Å²	71.5	58%	0.583	36%	0.362	S	S	*	.	H	α-helix	trans	-63.8	-44.3	179.3	-66.9	-38.4	0	0	0	112.7	S108 R112 R113 V114	S108-D110 VanDerWaalsContact C-N 3.29Å; S108-D110 PolarHBondContact O-N 3.15Å; D110-R112 VanDerWaalsContact C-N 3.33Å; D110-R112 PolarHBondContact O-N 2.82Å; D110-R113 WeakPolarHBondContact O-CB 3.12Å; D110-R113 PolarHBondContact O-N 2.92Å; D110-R113 VanDerWaalsContact O-N 3.17Å; D110-V114 WeakPolarHBondContact O-CG2 3.45Å; D110-V114 PolarHBondContact O-N 3.14Å
111	N	91.3	Very high	88.9	Confident	60 Å²	60	76.3 Å²	76.3	32%	0.321	38%	0.38	S	S	.	.	H	α-helix	trans	-64.2	-38	176	-74.4	-24.2	0	0	0	111.8	L107 S108 P109 R113 V114 A115 Y127	L107-N111 HydrophobicContact CB-CB 4.19Å; L107-N111 HydrophobicContact CD2-CB 4.24Å; S108-N111 PolarHBondContact O-N 2.89Å; S108-N111 VanDerWaalsContact O-N 3.08Å; S108-N111 PolarHBondContact OG-ND2 3.3Å; S108-N111 VanDerWaalsContact OG-ND2 3.09Å; P109-N111 PolarHBondContact O-N 3.5Å; N111-R113 VanDerWaalsContact C-N 3.33Å; N111-V114 PolarHBondContact O-N 2.93Å; N111-A115 WeakPolarHBondContact O-CB 3.35Å; N111-A115 PolarHBondContact O-N 3.46Å; N111-Y127 HydrophobicContact CB-CE2 4.38Å; N111-Y127 VanDerWaalsContact CG-OH 3.29Å
112	R	90.5	Very high	89.4	Confident	40 Å²	40	75 Å²	75	15%	0.151	36%	0.362	C	S	.	.	H	α-helix	trans	-62.8	-40.6	172.8	-67.9	-174.2	-178.1	-157.7	0.8	111.3	F100 G104 Q105 L107 S108 P109 D110 V114 A115 L116	F100-R112 HydrophobicContact CE1-CB 4.4Å; F100-R112 HydrophobicContact CE1-CG 4.29Å; F100-R112 HydrophobicContact CE2-CB 4.17Å; F100-R112 HydrophobicContact CZ-CB 3.85Å; F100-R112 HydrophobicContact CZ-CG 4.21Å; F100-R112 WeakPolarHBondContact CZ-O 3.18Å; G104-R112 PolarHBondContact O-NE 3.12Å; Q105-R112 VanDerWaalsContact C-NH2 3.31Å; Q105-R112 VanDerWaalsContact CA-NH2 3.29Å; Q105-R112 PolarHBondContact O-NH2 3.3Å; Q105-R112 VanDerWaalsContact OE1-NH2 3.11Å; L107-R112 HydrophobicContact CB-CG 3.65Å; L107-R112 HydrophobicContact CD1-CG 4.45Å; L107-R112 PolarHBondContact O-NE 3.29Å; L107-R112 VanDerWaalsContact O-NE 3.14Å; S108-R112 PolarHBondContact O-N 3.28Å; P109-R112 PolarHBondContact O-N 3.01Å; D110-R112 VanDerWaalsContact C-N 3.33Å; D110-R112 PolarHBondContact O-N 2.82Å; R112-V114 PolarHBondContact O-N 2.9Å; R112-A115 PolarHBondContact O-N 3.3Å; R112-L116 WeakPolarHBondContact O-CB 3.29Å; R112-L116 PolarHBondContact O-N 3.38Å
113	R	89.8	Confident	90	Very high	118 Å²	118	67.7 Å²	67.7	45%	0.445	33%	0.329	S	S	.	.	H	α-helix	trans	-61.4	-43.7	176.2	-172.1	-178.8	-75.3	162.3	-10.2	111.8	D91 F94 P109 D110 N111 K117	D91-R113 IonicContact OD2-NH2 3.03Å; D91-R113 PolarHBondContact OD2-NH2 3.31Å; F94-R113 HydrophobicContact CE1-CG 4.27Å; F94-R113 HydrophobicContact CZ-CG 4.12Å; P109-R113 PolarHBondContact O-N 3.41Å; D110-R113 WeakPolarHBondContact O-CB 3.12Å; D110-R113 PolarHBondContact O-N 2.92Å; D110-R113 VanDerWaalsContact O-N 3.17Å; N111-R113 VanDerWaalsContact C-N 3.33Å; R113-K117 WeakPolarHBondContact O-CB 3.45Å; R113-K117 PolarHBondContact O-N 3.25Å
114	V	92.9	Very high	90.4	Very high	75 Å²	75	65.1 Å²	65.1	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-65.5	-44	175.9	179.6	0	0	0	0	111.4	D110 N111 R112 L116 K117 T118 Y127	D110-V114 WeakPolarHBondContact O-CG2 3.45Å; D110-V114 PolarHBondContact O-N 3.14Å; N111-V114 PolarHBondContact O-N 2.93Å; R112-V114 PolarHBondContact O-N 2.9Å; V114-L116 PolarHBondContact O-N 3.1Å; V114-K117 PolarHBondContact O-N 2.98Å; V114-T118 WeakPolarHBondContact O-CG2 3.17Å; V114-T118 PolarHBondContact O-N 2.84Å; V114-T118 PolarHBondContact O-OG1 3.4Å; V114-Y127 HydrophobicContact CB-CD2 4.32Å; V114-Y127 HydrophobicContact CB-CE2 4.47Å; V114-Y127 HydrophobicContact CG1-CD2 3.97Å; V114-Y127 HydrophobicContact CG1-CE2 4.38Å
115	A	93.1	Very high	90.9	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.4	-43.8	177.5	0	0	0	0	0	112	F100 W103 N111 R112 T118 F119 Y127	F100-A115 HydrophobicContact CE1-CB 4.1Å; F100-A115 HydrophobicContact CZ-CB 4.08Å; W103-A115 HydrophobicContact CZ3-CB 4.31Å; N111-A115 WeakPolarHBondContact O-CB 3.35Å; N111-A115 PolarHBondContact O-N 3.46Å; R112-A115 PolarHBondContact O-N 3.3Å; A115-T118 PolarHBondContact O-N 3.2Å; A115-T118 PolarHBondContact O-OG1 3.03Å; A115-F119 VanDerWaalsContact O-CB 3.28Å; A115-F119 WeakPolarHBondContact O-CB 3.33Å; A115-F119 PolarHBondContact O-N 3Å; A115-Y127 HydrophobicContact CB-CD1 4.19Å; A115-Y127 HydrophobicContact CB-CD2 4.17Å; A115-Y127 HydrophobicContact CB-CG 3.79Å
116	L	91.6	Very high	91.5	Very high	20 Å²	20	59 Å²	59	11%	0.105	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-44.4	178.2	-174.4	62.7	0	0	0	112	F94 S97 F100 R112 V114 T118 F119 Q120	F94-L116 HydrophobicContact CD1-CD2 3.74Å; F94-L116 HydrophobicContact CE1-CD2 4.34Å; S97-L116 WeakPolarHBondContact OG-CD1 2.98Å; F100-L116 HydrophobicContact CE2-CB 4.29Å; F100-L116 HydrophobicContact CZ-CB 4.33Å; R112-L116 WeakPolarHBondContact O-CB 3.29Å; R112-L116 PolarHBondContact O-N 3.38Å; V114-L116 PolarHBondContact O-N 3.1Å; L116-T118 VanDerWaalsContact C-N 3.33Å; L116-T118 PolarHBondContact O-N 3.37Å; L116-F119 HydrophobicContact CD1-CD1 4.24Å; L116-F119 PolarHBondContact O-N 2.75Å; L116-Q120 WeakPolarHBondContact O-CG 3.42Å; L116-Q120 PolarHBondContact O-N 2.67Å
117	K	91.8	Very high	92	Very high	158 Å²	158	50.3 Å²	50.3	69%	0.687	25%	0.247	S	C	*	.	H	α-helix	trans	-60.3	-43.9	178.6	-176	178.1	-179.5	179.8	0	111.8	R113 V114 Y121	R113-K117 WeakPolarHBondContact O-CB 3.45Å; R113-K117 PolarHBondContact O-N 3.25Å; V114-K117 PolarHBondContact O-N 2.98Å; K117-Y121 PolarHBondContact O-N 2.84Å
118	T	92.4	Very high	92.3	Very high	31 Å²	31	49.7 Å²	49.7	19%	0.19	24%	0.244	C	C	.	.	H	α-helix	trans	-70.1	-37.7	177.6	52.3	0	0	0	0	111.9	V114 A115 L116 Y121 Y122	V114-T118 WeakPolarHBondContact O-CG2 3.17Å; V114-T118 PolarHBondContact O-N 2.84Å; V114-T118 PolarHBondContact O-OG1 3.4Å; A115-T118 PolarHBondContact O-N 3.2Å; A115-T118 PolarHBondContact O-OG1 3.03Å; L116-T118 VanDerWaalsContact C-N 3.33Å; L116-T118 PolarHBondContact O-N 3.37Å; T118-Y121 PolarHBondContact O-N 2.93Å; T118-Y122 VanDerWaalsContact O-CD2 3.26Å; T118-Y122 WeakPolarHBondContact O-CD2 3.22Å; T118-Y122 PolarHBondContact O-N 3.37Å
119	F	92.7	Very high	92.7	Very high	13 Å²	13	47.2 Å²	47.2	6%	0.057	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-44.1	172.8	170.8	-106	0	0	0	113	L99 A115 L116 Y121 G123 Y124 Y287 A388 H389	L99-F119 HydrophobicContact CB-CD1 4.1Å; L99-F119 HydrophobicContact CB-CE1 4.2Å; L99-F119 HydrophobicContact CB-CG 4.3Å; L99-F119 HydrophobicContact CD1-CB 4.4Å; L99-F119 HydrophobicContact CD1-CD2 3.76Å; L99-F119 HydrophobicContact CD1-CE2 4.18Å; L99-F119 HydrophobicContact CD1-CG 4.01Å; L99-F119 HydrophobicContact CD2-CB 3.53Å; L99-F119 HydrophobicContact CD2-CD1 4.1Å; L99-F119 HydrophobicContact CD2-CD2 4.35Å; L99-F119 HydrophobicContact CD2-CG 3.74Å; L99-F119 HydrophobicContact CG-CB 4.48Å; L99-F119 HydrophobicContact CG-CD2 4.45Å; L99-F119 HydrophobicContact CG-CG 4.23Å; A115-F119 VanDerWaalsContact O-CB 3.28Å; A115-F119 WeakPolarHBondContact O-CB 3.33Å; A115-F119 PolarHBondContact O-N 3Å; L116-F119 HydrophobicContact CD1-CD1 4.24Å; L116-F119 PolarHBondContact O-N 2.75Å; F119-Y121 VanDerWaalsContact C-N 3.25Å; F119-Y121 PolarHBondContact O-N 2.74Å; F119-G123 VanDerWaalsContact O-CA 3.29Å; F119-G123 WeakPolarHBondContact O-CA 3.08Å; F119-G123 PolarHBondContact O-N 2.89Å; F119-Y124 WeakPolarHBondContact CA-O 3.12Å; F119-Y287 AromaticContact CE2-CD2 3.6Å; F119-Y287 HydrophobicContact CE2-CD2 3.6Å; F119-Y287 AromaticContact CE2-CE2 3.94Å; F119-Y287 HydrophobicContact CE2-CE2 3.94Å; F119-Y287 HydrophobicContact CZ-CD2 4.26Å; F119-Y287 HydrophobicContact CZ-CE2 4.15Å; F119-A388 HydrophobicContact CE2-CB 3.77Å; F119-A388 HydrophobicContact CZ-CB 3.62Å; F119-H389 PolarHBondContact O-CE1 3Å
120	Q	90.5	Very high	93.1	Very high	119 Å²	119	48.1 Å²	48.1	56%	0.556	23%	0.227	S	C	*	.	H	α-helix	trans	-62.2	-34.5	175.4	-73.9	172.8	-25.4	0	0	112.2	L116 H389	L116-Q120 WeakPolarHBondContact O-CG 3.42Å; L116-Q120 PolarHBondContact O-N 2.67Å; Q120-H389 PolarHBondContact O-CE1 2.88Å; Q120-H389 PolarHBondContact O-NE2 2.54Å
121	Y	91.1	Very high	93.5	Very high	103 Å²	103	50 Å²	50	40%	0.404	23%	0.226	S	C	.	.	H	α-helix	trans	-75.3	-47.7	178.6	-174.9	-99.6	0	0	0	112.9	K117 T118 F119 N166 P391	K117-Y121 PolarHBondContact O-N 2.84Å; T118-Y121 PolarHBondContact O-N 2.93Å; F119-Y121 VanDerWaalsContact C-N 3.25Å; F119-Y121 PolarHBondContact O-N 2.74Å; Y121-N166 HydrophobicContact CE1-CB 4.48Å; Y121-N166 PolarHBondContact OH-ND2 2.91Å; Y121-P391 VanDerWaalsContact O-CB 3.27Å; Y121-P391 WeakPolarHBondContact O-CB 3.37Å
122	Y	93.1	Very high	93.7	Very high	32 Å²	32	49.4 Å²	49.4	13%	0.125	22%	0.223	C	C	.	.	H	α-helix	trans	-92.3	-21	-174.1	-66.1	-70.3	0	0	0	114	T118 Y124 A126 N166 A168 R387	T118-Y122 VanDerWaalsContact O-CD2 3.26Å; T118-Y122 WeakPolarHBondContact O-CD2 3.22Å; T118-Y122 PolarHBondContact O-N 3.37Å; Y122-Y124 VanDerWaalsContact C-N 3.27Å; Y122-Y124 HydrophobicContact CG-CE2 4.27Å; Y122-Y124 WeakPolarHBondContact O-CD1 3.38Å; Y122-A126 HydrophobicContact CD2-CB 3.35Å; Y122-A126 HydrophobicContact CE2-CB 3.77Å; Y122-A126 HydrophobicContact CG-CB 4.13Å; Y122-N166 VanDerWaalsContact CE1-O 3.25Å; Y122-N166 WeakPolarHBondContact CE1-O 3.32Å; Y122-A168 HydrophobicContact CD1-CB 4.05Å; Y122-A168 HydrophobicContact CD2-CB 4.45Å; Y122-A168 HydrophobicContact CE1-CB 3.78Å; Y122-A168 VanDerWaalsContact CE1-N 3.34Å; Y122-A168 HydrophobicContact CE2-CB 4.22Å; Y122-A168 HydrophobicContact CG-CB 4.38Å; Y122-R387 PolarHBondContact O-NH1 3.13Å
123	G	93.3	Very high	94.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	77.7	10.7	-171.1	0	0	0	0	0	114.5	F119 R387 A388 H389	F119-G123 VanDerWaalsContact O-CA 3.29Å; F119-G123 WeakPolarHBondContact O-CA 3.08Å; F119-G123 PolarHBondContact O-N 2.89Å; G123-R387 WeakPolarHBondContact O-CA 3.29Å; G123-A388 PolarHBondContact O-N 2.68Å; G123-H389 VanDerWaalsContact CA-CE1 3.43Å; G123-H389 WeakPolarHBondContact CA-CE1 3.43Å
124	Y	95.3	Very high	94.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-155.1	166.8	174.2	57.3	-107	0	0	0	110.7	F119 Y122 A126 E167 A168 V171 Y287 F290 I385 R387	F119-Y124 WeakPolarHBondContact CA-O 3.12Å; Y122-Y124 VanDerWaalsContact C-N 3.27Å; Y122-Y124 HydrophobicContact CG-CE2 4.27Å; Y122-Y124 WeakPolarHBondContact O-CD1 3.38Å; Y124-A126 VanDerWaalsContact C-N 3.26Å; Y124-A126 HydrophobicContact CD2-CB 4.32Å; Y124-A126 HydrophobicContact CE2-CB 4Å; Y124-A126 PolarHBondContact O-N 3.41Å; Y124-E167 PolarHBondContact OH-OE1 3.34Å; Y124-A168 HydrophobicContact CE2-CB 4.05Å; Y124-A168 VanDerWaalsContact OH-CB 3.26Å; Y124-A168 WeakPolarHBondContact OH-CB 3.35Å; Y124-A168 PolarHBondContact OH-N 3.23Å; Y124-V171 HydrophobicContact CE2-CG2 3.67Å; Y124-Y287 CarbonylContact C-O 3.52Å; Y124-Y287 WeakPolarHBondContact CA-O 3.2Å; Y124-F290 HydrophobicContact CD2-CE2 4.34Å; Y124-F290 AromaticContact CD2-CZ 3.97Å; Y124-F290 HydrophobicContact CD2-CZ 3.97Å; Y124-F290 HydrophobicContact CE2-CZ 4.49Å; Y124-I385 HydrophobicContact CD1-CG2 3.91Å; Y124-I385 HydrophobicContact CG-CG2 4.04Å; Y124-R387 HydrophobicContact CD1-CG 4.18Å
125	N	95.4	Very high	94.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.234	C	C	.	.			trans	-74.1	70.5	-174.2	-167.2	-6.7	0	0	0	112.6	L99 W103 Y127 L128 S129 Y287 D288 F290	L99-N125 HydrophobicContact CD1-CB 3.89Å; W103-N125 WeakPolarHBondContact CH2-ND2 3.35Å; W103-N125 WeakPolarHBondContact CZ3-ND2 3.39Å; N125-Y127 PolarHBondContact O-N 3.28Å; N125-L128 HydrophobicContact CB-CB 4.22Å; N125-L128 VanDerWaalsContact CG-CB 3.45Å; N125-L128 WeakPolarHBondContact ND2-CB 3.35Å; N125-L128 PolarHBondContact O-N 3.34Å; N125-L128 VanDerWaalsContact O-N 3.13Å; N125-L128 PolarHBondContact OD1-N 3.16Å; N125-S129 PolarHBondContact O-N 3.45Å; N125-Y287 VanDerWaalsContact CB-O 3.3Å; N125-Y287 WeakPolarHBondContact CB-O 3.48Å; N125-Y287 PolarHBondContact N-O 3.36Å; N125-D288 VanDerWaalsContact CB-O 3.28Å; N125-D288 WeakPolarHBondContact CB-O 3.21Å; N125-D288 PolarHBondContact ND2-O 3.2Å; N125-F290 HydrophobicContact CB-CE2 4.2Å; N125-F290 VanDerWaalsContact O-CE2 3.27Å; N125-F290 WeakPolarHBondContact O-CE2 3.33Å
126	A	95.6	Very high	94.7	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-60.2	-33.1	178.3	0	0	0	0	0	112	Y122 Y124 L128 S129 D130 A168	Y122-A126 HydrophobicContact CD2-CB 3.35Å; Y122-A126 HydrophobicContact CE2-CB 3.77Å; Y122-A126 HydrophobicContact CG-CB 4.13Å; Y124-A126 VanDerWaalsContact C-N 3.26Å; Y124-A126 HydrophobicContact CD2-CB 4.32Å; Y124-A126 HydrophobicContact CE2-CB 4Å; Y124-A126 PolarHBondContact O-N 3.41Å; A126-L128 VanDerWaalsContact C-N 3.32Å; A126-L128 PolarHBondContact O-N 3.22Å; A126-S129 WeakPolarHBondContact O-CB 3.41Å; A126-S129 PolarHBondContact O-N 2.96Å; A126-S129 VanDerWaalsContact O-N 3.11Å; A126-D130 PolarHBondContact O-N 3.02Å; A126-A168 HydrophobicContact CB-CB 4.22Å
127	Y	96	Very high	94.9	Very high	14 Å²	14	54.6 Å²	54.6	6%	0.055	27%	0.274	C	S	.	.	H	α-helix	trans	-56.5	-43.7	174.2	178.2	-78.9	0	0	0	112.6	W103 L107 N111 V114 A115 N125 R131	W103-Y127 AromaticContact CH2-CD1 3.62Å; W103-Y127 HydrophobicContact CH2-CD1 3.62Å; W103-Y127 HydrophobicContact CH2-CE1 4.04Å; W103-Y127 HydrophobicContact CZ2-CD1 4.24Å; W103-Y127 HydrophobicContact CZ2-CE1 4.48Å; L107-Y127 HydrophobicContact CD1-CE1 4.19Å; L107-Y127 HydrophobicContact CD2-CE1 4.16Å; N111-Y127 HydrophobicContact CB-CE2 4.38Å; N111-Y127 VanDerWaalsContact CG-OH 3.29Å; V114-Y127 HydrophobicContact CB-CD2 4.32Å; V114-Y127 HydrophobicContact CB-CE2 4.47Å; V114-Y127 HydrophobicContact CG1-CD2 3.97Å; V114-Y127 HydrophobicContact CG1-CE2 4.38Å; A115-Y127 HydrophobicContact CB-CD1 4.19Å; A115-Y127 HydrophobicContact CB-CD2 4.17Å; A115-Y127 HydrophobicContact CB-CG 3.79Å; N125-Y127 PolarHBondContact O-N 3.28Å; Y127-R131 VanDerWaalsContact CE2-CZ 3.46Å; Y127-R131 PolarHBondContact O-NH1 2.88Å; Y127-R131 PolarHBondContact OH-NH2 3.28Å
128	L	95.9	Very high	95.1	Very high	24 Å²	24	48.1 Å²	48.1	13%	0.126	25%	0.247	C	C	.	.	H	α-helix	trans	-69.3	-45.1	173.5	177.7	58.9	0	0	0	110.8	W103 N125 A126 D130 R131 L132 T289 F290	W103-L128 HydrophobicContact CH2-CB 4.28Å; W103-L128 HydrophobicContact CZ2-CB 3.83Å; W103-L128 HydrophobicContact CZ2-CD1 3.98Å; W103-L128 HydrophobicContact CZ2-CD2 4.42Å; W103-L128 HydrophobicContact CZ2-CG 4.29Å; N125-L128 HydrophobicContact CB-CB 4.22Å; N125-L128 VanDerWaalsContact CG-CB 3.45Å; N125-L128 WeakPolarHBondContact ND2-CB 3.35Å; N125-L128 PolarHBondContact O-N 3.34Å; N125-L128 VanDerWaalsContact O-N 3.13Å; N125-L128 PolarHBondContact OD1-N 3.16Å; A126-L128 VanDerWaalsContact C-N 3.32Å; A126-L128 PolarHBondContact O-N 3.22Å; L128-D130 VanDerWaalsContact C-N 3.26Å; L128-D130 PolarHBondContact O-N 3.25Å; L128-R131 WeakPolarHBondContact O-CA 3.47Å; L128-R131 PolarHBondContact O-N 3.32Å; L128-L132 HydrophobicContact CD1-CG 4.47Å; L128-L132 HydrophobicContact CG-CD1 4.29Å; L128-L132 HydrophobicContact CG-CG 4.4Å; L128-L132 PolarHBondContact O-N 2.96Å; L128-T289 WeakPolarHBondContact CD2-O 3.49Å; L128-F290 HydrophobicContact CD2-CD2 4.35Å
129	S	97.4	Very high	95.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-51.8	-44.1	178.1	-175	0	0	0	0	112.5	N125 A126 R131 L132 S170 V171 R174 F290	N125-S129 PolarHBondContact O-N 3.45Å; A126-S129 WeakPolarHBondContact O-CB 3.41Å; A126-S129 PolarHBondContact O-N 2.96Å; A126-S129 VanDerWaalsContact O-N 3.11Å; S129-R131 PolarHBondContact O-N 3.38Å; S129-L132 PolarHBondContact O-N 3.39Å; S129-S170 WeakPolarHBondContact CB-OG 3.49Å; S129-S170 PolarHBondContact OG-OG 3.04Å; S129-V171 VanDerWaalsContact OG-CG2 3.25Å; S129-V171 WeakPolarHBondContact OG-CG2 3.32Å; S129-R174 PolarHBondContact O-NH2 3.07Å; S129-R174 PolarHBondContact OG-NH1 2.58Å; S129-R174 PolarHBondContact OG-NH2 2.73Å; S129-F290 VanDerWaalsContact CB-CZ 3.48Å
130	D	97	Very high	95.3	Very high	94 Å²	94	51 Å²	51	50%	0.503	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.8	-179.3	-65.4	-18.5	0	0	0	113.4	A126 L128 S170	A126-D130 PolarHBondContact O-N 3.02Å; L128-D130 VanDerWaalsContact C-N 3.26Å; L128-D130 PolarHBondContact O-N 3.25Å; D130-S170 PolarHBondContact N-OG 3.5Å; D130-S170 WeakPolarHBondContact OD1-CB 3.47Å; D130-S170 PolarHBondContact OD1-OG 3.43Å
131	R	96	Very high	95.5	Very high	147 Å²	147	47 Å²	47	56%	0.555	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-4	179.3	-67	166.1	175.9	69.5	4.1	113	Y127 L128 S129	Y127-R131 VanDerWaalsContact CE2-CZ 3.46Å; Y127-R131 PolarHBondContact O-NH1 2.88Å; Y127-R131 PolarHBondContact OH-NH2 3.28Å; L128-R131 WeakPolarHBondContact O-CA 3.47Å; L128-R131 PolarHBondContact O-N 3.32Å; S129-R131 PolarHBondContact O-N 3.38Å
132	L	97.1	Very high	95.7	Very high	49 Å²	49	43.8 Å²	43.8	26%	0.257	23%	0.234	S	C	.	.	S	Bend	trans	-89.8	140.2	174.5	-66.8	175.2	0	0	0	110.4	L128 S129 L134 F290	L128-L132 HydrophobicContact CD1-CG 4.47Å; L128-L132 HydrophobicContact CG-CD1 4.29Å; L128-L132 HydrophobicContact CG-CG 4.4Å; L128-L132 PolarHBondContact O-N 2.96Å; S129-L132 PolarHBondContact O-N 3.39Å; L132-L134 PolarHBondContact O-N 3.37Å; L132-F290 HydrophobicContact CD1-CB 3.61Å; L132-F290 HydrophobicContact CD1-CD1 4Å; L132-F290 HydrophobicContact CD1-CG 3.82Å
133	S	97.6	Very high	95.8	Very high	68 Å²	68	43.2 Å²	43.2	48%	0.476	23%	0.234	S	C	.	.			trans	-56.4	137.8	173.6	176.6	0	0	0	0	111.4	S135 R136 R174	S133-S135 PolarHBondContact O-N 3.46Å; S133-S135 PolarHBondContact OG-N 3Å; S133-S135 VanDerWaalsContact OG-N 3.16Å; S133-S135 PolarHBondContact OG-OG 3.1Å; S133-R136 PolarHBondContact O-N 3.02Å; S133-R174 PolarHBondContact O-NE 3.36Å
134	L	97.1	Very high	95.7	Very high	54 Å²	54	49.5 Å²	49.5	28%	0.283	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-17.7	172.9	-58.6	179.4	0	0	0	112.5	L132 S170 L173 R174 H177	L132-L134 PolarHBondContact O-N 3.37Å; L134-S170 WeakPolarHBondContact CD2-O 3.41Å; L134-L173 HydrophobicContact CD1-CB 4.02Å; L134-L173 HydrophobicContact CD1-CD1 4.25Å; L134-L173 HydrophobicContact CD2-CB 3.9Å; L134-R174 HydrophobicContact CD2-CB 4.26Å; L134-H177 HydrophobicContact CB-CB 4.41Å; L134-H177 WeakPolarHBondContact O-CB 3.4Å
135	S	95.8	Very high	95.5	Very high	76 Å²	76	51.3 Å²	51.3	53%	0.531	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119	30.3	179	68.9	0	0	0	0	112.3	S133	S133-S135 PolarHBondContact O-N 3.46Å; S133-S135 PolarHBondContact OG-N 3Å; S133-S135 VanDerWaalsContact OG-N 3.16Å; S133-S135 PolarHBondContact OG-OG 3.1Å
136	R	96.3	Very high	95.5	Very high	44 Å²	44	51.4 Å²	51.4	17%	0.166	29%	0.288	C	S	.	.			trans	-56.3	145.8	179.3	70.3	178.6	-173	153.8	-2	111.6	S133 E257 F290	S133-R136 PolarHBondContact O-N 3.02Å; R136-E257 IonicContact CZ-OE1 3.55Å; R136-E257 VanDerWaalsContact CZ-OE1 3.29Å; R136-E257 IonicContact CZ-OE2 2.8Å; R136-E257 IonicContact NE-OE1 2.79Å; R136-E257 PolarHBondContact NE-OE1 3.18Å; R136-E257 VanDerWaalsContact NE-OE1 3.12Å; R136-E257 IonicContact NE-OE2 2.92Å; R136-E257 PolarHBondContact NE-OE2 2.96Å; R136-E257 IonicContact NH2-OE1 3.68Å; R136-E257 PolarHBondContact NH2-OE1 2.7Å; R136-E257 IonicContact NH2-OE2 3.49Å; R136-F290 PolarHBondContact NH1-O 2.85Å; R136-F290 PolarHBondContact NH2-O 2.82Å
137	P	95.6	Very high	95.2	Very high	119 Å²	119	57.7 Å²	57.7	77%	0.773	31%	0.311	S	S	*	.			trans	-69.3	149.1	170.9	30.4	-34	0	0	0	110.4
138	I	95.8	Very high	94.9	Very high	22 Å²	22	63.8 Å²	63.8	11%	0.113	35%	0.345	C	S	.	.			trans	-129.3	148.7	174.5	62.9	163.8	0	0	0	109.1	E257 F258 N259 I292	I138-E257 HydrophobicContact CD1-CB 4.41Å; I138-E257 WeakPolarHBondContact CG2-OE2 3.39Å; I138-F258 WeakPolarHBondContact CD1-O 3.47Å; I138-N259 HydrophobicContact CD1-CB 4.26Å; I138-I292 HydrophobicContact CB-CD1 3.5Å; I138-I292 VanDerWaalsContact CB-CD1 3.5Å; I138-I292 HydrophobicContact CD1-CD1 4.34Å; I138-I292 HydrophobicContact CG2-CD1 3.36Å
139	P	95.6	Very high	94.7	Very high	61 Å²	61	65.9 Å²	65.9	40%	0.396	36%	0.355	S	S	.	.			trans	-64.7	142	-178.6	26.5	-34.1	0	0	0	112	L141 N259 I292	P139-L141 HydrophobicContact CB-CD2 4.14Å; P139-L141 HydrophobicContact CB-CG 4.16Å; P139-L141 HydrophobicContact CG-CD1 4.2Å; P139-L141 HydrophobicContact CG-CD2 4.37Å; P139-L141 HydrophobicContact CG-CG 4.12Å; P139-L141 PolarHBondContact O-N 2.69Å; P139-N259 PolarHBondContact O-ND2 3.45Å; P139-I292 HydrophobicContact CG-CB 4.12Å; P139-I292 HydrophobicContact CG-CG2 4.22Å
140	D	95	Very high	94.5	Very high	43 Å²	43	72.1 Å²	72.1	23%	0.23	39%	0.394	C	S	.	.			trans	-84.1	91.5	170.8	-179	8.2	0	0	0	109.8	R142 R147 V260	D140-R142 VanDerWaalsContact C-N 3.3Å; D140-R142 WeakPolarHBondContact OD1-CB 3.46Å; D140-R142 VanDerWaalsContact OD1-CG 3.29Å; D140-R142 WeakPolarHBondContact OD1-CG 3.34Å; D140-R142 IonicContact OD1-CZ 3.88Å; D140-R142 PolarHBondContact OD1-N 2.87Å; D140-R142 IonicContact OD1-NE 3.56Å; D140-R142 PolarHBondContact OD1-NE 3.47Å; D140-R142 IonicContact OD1-NH2 2.88Å; D140-R142 IonicContact OD2-CZ 3.54Å; D140-R142 IonicContact OD2-NE 3.81Å; D140-R142 PolarHBondContact OD2-NE 3.5Å; D140-R142 IonicContact OD2-NH2 2.64Å; D140-R142 PolarHBondContact OD2-NH2 3.12Å; D140-R147 PolarHBondContact O-NH2 3.34Å; D140-R147 VanDerWaalsContact O-NH2 3.08Å; D140-R147 IonicContact OD2-CZ 3.57Å; D140-R147 IonicContact OD2-NE 3.66Å; D140-R147 PolarHBondContact OD2-NE 3.24Å; D140-R147 IonicContact OD2-NH2 2.68Å; D140-R147 PolarHBondContact OD2-NH2 2.97Å; D140-V260 HydrophobicContact CB-CG1 4.32Å
141	L	94.3	Very high	94.4	Very high	36 Å²	36	69.8 Å²	69.8	19%	0.188	38%	0.378	C	S	.	.			trans	-89	12.9	-178.8	-60.5	173.7	0	0	0	113.1	P139 D283 I292 E294 R381	P139-L141 HydrophobicContact CB-CD2 4.14Å; P139-L141 HydrophobicContact CB-CG 4.16Å; P139-L141 HydrophobicContact CG-CD1 4.2Å; P139-L141 HydrophobicContact CG-CD2 4.37Å; P139-L141 HydrophobicContact CG-CG 4.12Å; P139-L141 PolarHBondContact O-N 2.69Å; L141-D283 HydrophobicContact CD1-CB 4.43Å; L141-I292 HydrophobicContact CD1-CG2 3.73Å; L141-E294 HydrophobicContact CB-CG 4.3Å; L141-E294 HydrophobicContact CD1-CB 3.85Å; L141-E294 HydrophobicContact CD1-CG 4.31Å; L141-E294 HydrophobicContact CD2-CB 4.24Å; L141-E294 HydrophobicContact CG-CB 4.47Å; L141-R381 WeakPolarHBondContact O-CD 3.49Å
142	R	95.3	Very high	94.4	Very high	35 Å²	35	65.3 Å²	65.3	13%	0.132	37%	0.368	C	S	.	.	S	Bend	trans	-67.6	145.2	177.2	-64.9	175.9	-59.8	161.9	5.9	110.4	D140 C146 V260 C379 R381	D140-R142 VanDerWaalsContact C-N 3.3Å; D140-R142 WeakPolarHBondContact OD1-CB 3.46Å; D140-R142 VanDerWaalsContact OD1-CG 3.29Å; D140-R142 WeakPolarHBondContact OD1-CG 3.34Å; D140-R142 IonicContact OD1-CZ 3.88Å; D140-R142 PolarHBondContact OD1-N 2.87Å; D140-R142 IonicContact OD1-NE 3.56Å; D140-R142 PolarHBondContact OD1-NE 3.47Å; D140-R142 IonicContact OD1-NH2 2.88Å; D140-R142 IonicContact OD2-CZ 3.54Å; D140-R142 IonicContact OD2-NE 3.81Å; D140-R142 PolarHBondContact OD2-NE 3.5Å; D140-R142 IonicContact OD2-NH2 2.64Å; D140-R142 PolarHBondContact OD2-NH2 3.12Å; R142-C146 HydrophobicContact CB-CB 4.02Å; R142-V260 WeakPolarHBondContact CD-O 3.27Å; R142-V260 PolarHBondContact NE-O 3.08Å; R142-V260 PolarHBondContact NH1-O 3.24Å; R142-C379 VanDerWaalsContact CD-O 3.28Å; R142-C379 WeakPolarHBondContact CD-O 3.23Å; R142-R381 HydrophobicContact CG-CG 4.04Å
143	P	94.1	Very high	94.2	Very high	20 Å²	20	70 Å²	70	13%	0.13	39%	0.393	C	S	.	.			trans	-53.6	144.6	170.4	-25	32.5	0	0	0	112.1	G145 C146 L297 K323 P378	P143-G145 PolarHBondContact O-N 3.13Å; P143-C146 VanDerWaalsContact O-CB 3.22Å; P143-C146 WeakPolarHBondContact O-CB 3.42Å; P143-C146 PolarHBondContact O-N 3.48Å; P143-L297 HydrophobicContact CG-CD1 4.07Å; P143-L297 HydrophobicContact CG-CD2 4.48Å; P143-K323 HydrophobicContact CB-CB 4.2Å; P143-P378 WeakPolarHBondContact CD-O 3.46Å; P143-P378 HydrophobicContact CG-CB 4.03Å
144	D	91.2	Very high	94.1	Very high	132 Å²	132	72.1 Å²	72.1	71%	0.706	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-51.1	-38.9	-174.9	-67	-36.6	0	0	0	113.6	C146 R147	D144-C146 PolarHBondContact O-N 3.33Å; D144-R147 PolarHBondContact O-N 2.94Å
145	G	91.4	Very high	94.2	Very high	39 Å²	39	70.4 Å²	70.4	40%	0.402	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-62.4	-23.3	178.9	0	0	0	0	0	114.3	P143 I149 S324	P143-G145 PolarHBondContact O-N 3.13Å; G145-I149 WeakPolarHBondContact O-CG1 3.5Å; G145-S324 VanDerWaalsContact C-OG 3.27Å; G145-S324 WeakPolarHBondContact CA-OG 3.39Å
146	C	95.1	Very high	94.3	Very high	2 Å²	2	68.1 Å²	68.1	1%	0.014	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-72.7	-30.4	-177.3	-63.4	0	0	0	0	113.1	R142 P143 D144 N148 I149 S324 C379	R142-C146 HydrophobicContact CB-CB 4.02Å; P143-C146 VanDerWaalsContact O-CB 3.22Å; P143-C146 WeakPolarHBondContact O-CB 3.42Å; P143-C146 PolarHBondContact O-N 3.48Å; D144-C146 PolarHBondContact O-N 3.33Å; C146-N148 PolarHBondContact O-N 3.46Å; C146-I149 PolarHBondContact O-N 2.92Å; C146-S324 PolarHBondContact N-OG 3.08Å; C146-S324 PolarHBondContact SG-OG 3.04Å; C146-C379 HydrophobicContact CB-CB 3.64Å; C146-C379 WeakPolarHBondContact CB-SG 3.35Å; C146-C379 WeakPolarHBondContact SG-CA 3.35Å; C146-C379 WeakPolarHBondContact SG-CB 3.41Å; C146-C379 CovalentContact SG-SG 2.04Å; C146-C379 PolarHBondContact SG-SG 2.93Å
147	R	90.5	Very high	94.4	Very high	132 Å²	132	69.3 Å²	69.3	50%	0.498	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-67.4	-24.8	-176.7	-66.1	-175.2	176.6	157.6	8.6	112.9	D140 D144	D140-R147 PolarHBondContact O-NH2 3.34Å; D140-R147 VanDerWaalsContact O-NH2 3.08Å; D140-R147 IonicContact OD2-CZ 3.57Å; D140-R147 IonicContact OD2-NE 3.66Å; D140-R147 PolarHBondContact OD2-NE 3.24Å; D140-R147 IonicContact OD2-NH2 2.68Å; D140-R147 PolarHBondContact OD2-NH2 2.97Å; D144-R147 PolarHBondContact O-N 2.94Å
148	N	88.8	Confident	94.5	Very high	142 Å²	142	63.7 Å²	63.7	76%	0.759	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-95.5	0.8	-177.3	-63.9	-20.7	0	0	0	113.2	C146	C146-N148 PolarHBondContact O-N 3.46Å
149	I	92.5	Very high	94.7	Very high	68 Å²	68	62.7 Å²	62.7	35%	0.349	34%	0.339	S	S	.	.			trans	-79.8	127	179	-56.1	177.3	0	0	0	109.1	G145 C146 Y151	G145-I149 WeakPolarHBondContact O-CG1 3.5Å; C146-I149 PolarHBondContact O-N 2.92Å; I149-Y151 HydrophobicContact CB-CE2 4.12Å; I149-Y151 HydrophobicContact CG2-CD1 4.29Å; I149-Y151 HydrophobicContact CG2-CD2 4.46Å; I149-Y151 HydrophobicContact CG2-CE1 3.66Å; I149-Y151 HydrophobicContact CG2-CE2 3.87Å; I149-Y151 VanDerWaalsContact CG2-CZ 3.43Å
150	T	93.2	Very high	94.8	Very high	132 Å²	132	59.8 Å²	59.8	81%	0.81	32%	0.32	S	S	*	.			trans	-100.6	131.3	172.8	-53.4	0	0	0	0	109.5
151	Y	95.1	Very high	95	Very high	45 Å²	45	57.7 Å²	57.7	18%	0.176	31%	0.309	C	S	.	.			trans	-105.5	147.7	179.1	-58.6	-82.6	0	0	0	110.5	I149 E264 P265 L268	I149-Y151 HydrophobicContact CB-CE2 4.12Å; I149-Y151 HydrophobicContact CG2-CD1 4.29Å; I149-Y151 HydrophobicContact CG2-CD2 4.46Å; I149-Y151 HydrophobicContact CG2-CE1 3.66Å; I149-Y151 HydrophobicContact CG2-CE2 3.87Å; I149-Y151 VanDerWaalsContact CG2-CZ 3.43Å; Y151-E264 HydrophobicContact CD1-CB 4.11Å; Y151-E264 HydrophobicContact CD2-CB 3.57Å; Y151-E264 HydrophobicContact CD2-CG 4.4Å; Y151-E264 HydrophobicContact CE2-CB 4.14Å; Y151-E264 HydrophobicContact CG-CB 3.56Å; Y151-P265 VanDerWaalsContact CE1-CA 3.48Å; Y151-P265 HydrophobicContact CE1-CB 3.87Å; Y151-P265 WeakPolarHBondContact OH-CB 3.42Å; Y151-L268 HydrophobicContact CD1-CB 4.32Å; Y151-L268 HydrophobicContact CD1-CD2 3.82Å; Y151-L268 HydrophobicContact CE1-CD2 4.21Å
152	P	95.1	Very high	95.2	Very high	53 Å²	53	56 Å²	56	34%	0.344	30%	0.3	S	S	.	.			trans	-67.4	148.6	176.5	30.4	-35.5	0	0	0	110.6	N154 L155 L268	P152-N154 VanDerWaalsContact C-N 3.28Å; P152-N154 WeakPolarHBondContact CB-OD1 3.48Å; P152-N154 PolarHBondContact O-N 3.06Å; P152-L155 HydrophobicContact CG-CD2 4Å; P152-L155 HydrophobicContact CG-CG 4.4Å; P152-L155 WeakPolarHBondContact O-CG 3.31Å; P152-L268 HydrophobicContact CG-CD1 4.06Å
153	L	93.1	Very high	95.3	Very high	148 Å²	148	55 Å²	55	78%	0.775	30%	0.297	S	S	*	.	S	Bend	trans	-71.4	-22.8	179.2	-65.5	174.4	0	0	0	113.3	L155	L153-L155 VanDerWaalsContact C-N 3.29Å; L153-L155 PolarHBondContact O-N 2.81Å; L153-L155 VanDerWaalsContact O-N 3.13Å
154	N	95.3	Very high	95.4	Very high	112 Å²	112	54.5 Å²	54.5	60%	0.599	29%	0.293	S	S	*	.			trans	-88.9	53.7	-175.6	66.7	-6.1	0	0	0	112.6	P152 K271	P152-N154 VanDerWaalsContact C-N 3.28Å; P152-N154 WeakPolarHBondContact CB-OD1 3.48Å; P152-N154 PolarHBondContact O-N 3.06Å; N154-K271 VanDerWaalsContact CG-NZ 3.31Å; N154-K271 PolarHBondContact O-NZ 3.45Å; N154-K271 PolarHBondContact OD1-NZ 2.89Å
155	L	98.3	Very high	95.5	Very high	17 Å²	17	49.5 Å²	49.5	9%	0.089	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-87.1	152.1	175.4	-67.7	172.8	0	0	0	111.5	P152 L153 L187 E264 L267 L268 K271	P152-L155 HydrophobicContact CG-CD2 4Å; P152-L155 HydrophobicContact CG-CG 4.4Å; P152-L155 WeakPolarHBondContact O-CG 3.31Å; L153-L155 VanDerWaalsContact C-N 3.29Å; L153-L155 PolarHBondContact O-N 2.81Å; L153-L155 VanDerWaalsContact O-N 3.13Å; L155-L187 HydrophobicContact CB-CD2 3.68Å; L155-L187 HydrophobicContact CD1-CD1 4.37Å; L155-E264 HydrophobicContact CD1-CB 3.95Å; L155-E264 HydrophobicContact CD1-CG 4.23Å; L155-L267 HydrophobicContact CB-CB 4.15Å; L155-L267 HydrophobicContact CD1-CB 4.28Å; L155-L267 HydrophobicContact CD2-CB 4.39Å; L155-L268 HydrophobicContact CD2-CB 3.96Å; L155-L268 HydrophobicContact CD2-CD1 4.23Å; L155-K271 HydrophobicContact CD2-CD 4.31Å
156	P	98.3	Very high	95.6	Very high	29 Å²	29	49.1 Å²	49.1	19%	0.188	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-62.9	148.7	175	27.2	-34.7	0	0	0	110.7	P247 V248 L267 K271	P156-P247 HydrophobicContact CB-CB 4.23Å; P156-V248 HydrophobicContact CB-CG2 3.98Å; P156-V248 HydrophobicContact CG-CG2 3.85Å; P156-L267 HydrophobicContact CG-CB 4.23Å; P156-L267 HydrophobicContact CG-CD2 4.16Å; P156-L267 WeakPolarHBondContact O-CD1 3.37Å; P156-K271 HydrophobicContact CG-CB 4.43Å
157	Q	98.6	Very high	95.7	Very high	69 Å²	69	49.2 Å²	49.2	32%	0.322	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-73.2	155.9	173.1	-57.9	-168.8	-58.3	0	0	111.2	H186 L187 K189 A246 P247 V248	Q157-H186 PolarHBondContact NE2-O 3.09Å; Q157-L187 CarbonylContact C-O 3.55Å; Q157-L187 WeakPolarHBondContact CA-O 3.24Å; Q157-L187 WeakPolarHBondContact CB-O 3.3Å; Q157-K189 HydrophobicContact CB-CB 4.1Å; Q157-A246 HydrophobicContact CB-CB 4.38Å; Q157-P247 WeakPolarHBondContact O-CD 3.14Å; Q157-V248 PolarHBondContact O-N 3.02Å
158	V	98.8	Very high	96	Very high	1 Å²	1	43 Å²	43	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.3	179.6	64.9	0	0	0	0	111.8	I160 L187 L188 K189 V248 A250 L267	V158-I160 HydrophobicContact CG1-CG1 4.5Å; V158-I160 HydrophobicContact CG2-CG1 4.49Å; V158-L187 PolarHBondContact N-O 3.33Å; V158-L188 HydrophobicContact CG1-CD1 4.47Å; V158-K189 WeakPolarHBondContact O-CB 3.39Å; V158-K189 PolarHBondContact O-N 3.45Å; V158-V248 WeakPolarHBondContact CA-O 3.46Å; V158-V248 HydrophobicContact CG2-CB 4.47Å; V158-V248 HydrophobicContact CG2-CG1 4.18Å; V158-A250 HydrophobicContact CG2-CB 3.81Å; V158-L267 HydrophobicContact CB-CD2 4.07Å
159	S	98.9	Very high	96.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	122.9	163.9	-61.4	0	0	0	0	108	E190 A246 V248 V249 A250	S159-E190 VanDerWaalsContact OG-CG 3.31Å; S159-E190 WeakPolarHBondContact OG-CG 3.37Å; S159-E190 PolarHBondContact OG-OE1 2.76Å; S159-A246 VanDerWaalsContact N-CB 3.33Å; S159-A246 WeakPolarHBondContact OG-CB 3.31Å; S159-A246 PolarHBondContact OG-N 3.32Å; S159-A246 VanDerWaalsContact OG-N 3.1Å; S159-V248 PolarHBondContact N-O 2.84Å; S159-V249 WeakPolarHBondContact O-CA 3.34Å; S159-A250 PolarHBondContact O-N 3.38Å
160	I	98.8	Very high	96.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.4	177.3	-62.9	178.2	0	0	0	108.5	V158 F162 A179 L188 E190 I191 I192 A250 F252 F258 W262	V158-I160 HydrophobicContact CG1-CG1 4.5Å; V158-I160 HydrophobicContact CG2-CG1 4.49Å; I160-F162 HydrophobicContact CG2-CD2 4.27Å; I160-F162 HydrophobicContact CG2-CE1 4.05Å; I160-F162 HydrophobicContact CG2-CE2 3.7Å; I160-F162 HydrophobicContact CG2-CZ 3.58Å; I160-A179 HydrophobicContact CD1-CB 3.91Å; I160-L188 HydrophobicContact CB-CD1 4.46Å; I160-L188 HydrophobicContact CD1-CD1 3.53Å; I160-L188 HydrophobicContact CG1-CD1 3.79Å; I160-E190 PolarHBondContact N-O 3.14Å; I160-I191 HydrophobicContact CB-CG1 4.44Å; I160-I191 CarbonylContact O-C 3.57Å; I160-I191 VanDerWaalsContact O-CA 3.3Å; I160-I191 WeakPolarHBondContact O-CA 3.37Å; I160-I192 PolarHBondContact O-N 3.27Å; I160-A250 HydrophobicContact CG1-CB 4.41Å; I160-F252 HydrophobicContact CG2-CD2 4.11Å; I160-F258 HydrophobicContact CG2-CZ 4.49Å; I160-W262 HydrophobicContact CD1-CH2 4.24Å; I160-W262 HydrophobicContact CD1-CZ2 3.8Å
161	V	98.9	Very high	96.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.9	179.7	-179.3	0	0	0	0	108.5	I163 I192 V194 V249 A250 L251 F252	V161-I163 HydrophobicContact CG1-CG1 4.24Å; V161-I192 CarbonylContact C-O 3.58Å; V161-I192 VanDerWaalsContact CA-O 3.31Å; V161-I192 WeakPolarHBondContact CA-O 3.31Å; V161-I192 HydrophobicContact CG2-CB 4.16Å; V161-I192 HydrophobicContact CG2-CD1 4.22Å; V161-V194 HydrophobicContact CG1-CG2 3.88Å; V161-V249 HydrophobicContact CG2-CG1 3.69Å; V161-A250 PolarHBondContact N-O 3.46Å; V161-L251 HydrophobicContact CB-CD2 3.91Å; V161-L251 HydrophobicContact CG1-CD2 3.96Å; V161-L251 HydrophobicContact CG2-CD2 4.15Å; V161-F252 PolarHBondContact O-N 3.43Å
162	F	98.6	Very high	97	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133	169.3	-64.3	-61.6	0	0	0	110.1	I160 I176 A179 I191 I192 L193 V194 F252 D253 A254 V256 F258	I160-F162 HydrophobicContact CG2-CD2 4.27Å; I160-F162 HydrophobicContact CG2-CE1 4.05Å; I160-F162 HydrophobicContact CG2-CE2 3.7Å; I160-F162 HydrophobicContact CG2-CZ 3.58Å; F162-I176 HydrophobicContact CD2-CG1 4.11Å; F162-I176 HydrophobicContact CE2-CG1 4.04Å; F162-A179 HydrophobicContact CE2-CB 4.4Å; F162-A179 HydrophobicContact CZ-CB 4.1Å; F162-I191 HydrophobicContact CD2-CG2 3.82Å; F162-I191 HydrophobicContact CE2-CG2 3.94Å; F162-I192 PolarHBondContact N-O 3.25Å; F162-L193 HydrophobicContact CB-CD2 3.97Å; F162-L193 HydrophobicContact CD2-CD2 3.78Å; F162-L193 HydrophobicContact CG-CD2 4.38Å; F162-V194 PolarHBondContact O-N 3.49Å; F162-F252 WeakPolarHBondContact CA-O 3.44Å; F162-F252 HydrophobicContact CD1-CB 3.85Å; F162-F252 HydrophobicContact CE1-CB 3.82Å; F162-D253 WeakPolarHBondContact CD1-O 3.5Å; F162-A254 HydrophobicContact CB-CB 4.5Å; F162-V256 HydrophobicContact CE1-CG2 3.76Å; F162-F258 AromaticContact CE1-CE2 3.95Å; F162-F258 HydrophobicContact CE1-CE2 3.95Å; F162-F258 HydrophobicContact CE1-CZ 4.07Å; F162-F258 AromaticContact CZ-CE2 3.69Å; F162-F258 HydrophobicContact CZ-CE2 3.69Å; F162-F258 HydrophobicContact CZ-CZ 4Å
163	I	96.4	Very high	97.2	Very high	13 Å²	13	25.6 Å²	25.6	7%	0.067	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.6	178	-61.5	150.3	0	0	0	108.6	V161 V194 L233 R237 F252 A254	V161-I163 HydrophobicContact CG1-CG1 4.24Å; I163-V194 HydrophobicContact CG1-CB 4.04Å; I163-V194 HydrophobicContact CG1-CG2 4.32Å; I163-L233 HydrophobicContact CB-CD1 4.49Å; I163-L233 HydrophobicContact CD1-CD1 4.24Å; I163-L233 HydrophobicContact CG2-CD1 4.18Å; I163-R237 HydrophobicContact CD1-CB 3.89Å; I163-R237 HydrophobicContact CD1-CG 3.11Å; I163-F252 PolarHBondContact N-O 3.11Å; I163-A254 WeakPolarHBondContact O-CB 3.41Å; I163-A254 PolarHBondContact O-N 3.46Å
164	F	95.8	Very high	97.4	Very high	10 Å²	10	18.7 Å²	18.7	4%	0.044	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	152.9	-178.4	66.8	-77.4	0	0	0	112.6	E167 I172 L193 V194 D195 D196 L203 L207 A254	F164-E167 HydrophobicContact CB-CB 3.9Å; F164-E167 HydrophobicContact CD2-CB 4.49Å; F164-I172 HydrophobicContact CB-CD1 4.29Å; F164-I172 HydrophobicContact CD1-CD1 3.56Å; F164-I172 HydrophobicContact CD2-CD1 4.19Å; F164-I172 HydrophobicContact CE1-CD1 3.85Å; F164-I172 HydrophobicContact CE2-CD1 4.42Å; F164-I172 HydrophobicContact CG-CD1 3.75Å; F164-I172 HydrophobicContact CZ-CD1 4.25Å; F164-L193 HydrophobicContact CE1-CB 4.01Å; F164-V194 VanDerWaalsContact CD1-O 3.26Å; F164-V194 WeakPolarHBondContact CD1-O 3.46Å; F164-V194 PolarHBondContact N-O 3.42Å; F164-D195 HydrophobicContact CE1-CB 4.02Å; F164-D195 HydrophobicContact CE2-CB 4.01Å; F164-D195 HydrophobicContact CZ-CB 3.55Å; F164-D196 PolarHBondContact O-N 3.34Å; F164-L203 HydrophobicContact CD2-CD2 4.22Å; F164-L203 HydrophobicContact CE2-CD2 4.09Å; F164-L207 HydrophobicContact CE1-CD2 4.24Å; F164-L207 HydrophobicContact CE2-CD2 4.14Å; F164-L207 HydrophobicContact CZ-CD2 3.58Å; F164-A254 HydrophobicContact CB-CB 3.71Å
165	V	94.3	Very high	97.6	Very high	28 Å²	28	13.4 Å²	13.4	17%	0.17	7%	0.072	C	C	.	.	S	Bend	trans	-136.4	122.7	160.9	58.8	0	0	0	0	106.3	E167 D196 Y392	V165-E167 PolarHBondContact O-N 3.42Å; V165-E167 VanDerWaalsContact O-N 3.12Å; V165-D196 HydrophobicContact CB-CB 4.37Å; V165-Y392 HydrophobicContact CG1-CD1 4.02Å; V165-Y392 HydrophobicContact CG1-CE1 4.5Å
166	N	94.3	Very high	97.6	Very high	31 Å²	31	12.6 Å²	12.6	17%	0.166	7%	0.068	C	C	.	.	S	Bend	trans	49.1	41.5	178.2	-65.4	-24	0	0	0	114.3	Y121 Y122 S198 N199 N200	Y121-N166 HydrophobicContact CE1-CB 4.48Å; Y121-N166 PolarHBondContact OH-ND2 2.91Å; Y122-N166 VanDerWaalsContact CE1-O 3.25Å; Y122-N166 WeakPolarHBondContact CE1-O 3.32Å; N166-S198 PolarHBondContact N-OG 3.45Å; N166-S198 VanDerWaalsContact OD1-CA 3.3Å; N166-S198 WeakPolarHBondContact OD1-CA 3.35Å; N166-S198 WeakPolarHBondContact OD1-CB 3.49Å; N166-N199 VanDerWaalsContact CG-OD1 3.29Å; N166-N199 PolarHBondContact ND2-OD1 2.88Å; N166-N199 PolarHBondContact OD1-N 3.41Å; N166-N199 PolarHBondContact OD1-OD1 2.71Å; N166-N199 VanDerWaalsContact OD1-OD1 3.06Å; N166-N200 PolarHBondContact OD1-N 3.13Å
167	E	96.3	Very high	97.5	Very high	4 Å²	4	13.7 Å²	13.7	2%	0.019	7%	0.07	C	C	.	.			trans	-75.6	146.4	176.6	-165	69.1	-90.9	0	0	111	Y124 F164 V165 L169 V171 I172 L203 A254 H255 R387	Y124-E167 PolarHBondContact OH-OE1 3.34Å; F164-E167 HydrophobicContact CB-CB 3.9Å; F164-E167 HydrophobicContact CD2-CB 4.49Å; V165-E167 PolarHBondContact O-N 3.42Å; V165-E167 VanDerWaalsContact O-N 3.12Å; E167-L169 PolarHBondContact O-N 3.35Å; E167-V171 HydrophobicContact CG-CG1 4.36Å; E167-I172 HydrophobicContact CG-CB 4.28Å; E167-L203 WeakPolarHBondContact O-CD2 3.1Å; E167-A254 HydrophobicContact CB-CB 4.48Å; E167-A254 HydrophobicContact CG-CB 4.02Å; E167-H255 IonicContact OE2-CE1 2.74Å; E167-H255 IonicContact OE2-CG 2.75Å; E167-H255 IonicContact OE2-ND1 3.48Å; E167-H255 PolarHBondContact OE2-ND1 2.94Å; E167-R387 IonicContact OE1-CZ 2.83Å; E167-R387 IonicContact OE1-NH1 3.69Å; E167-R387 IonicContact OE1-NH2 3.17Å; E167-R387 PolarHBondContact OE1-NH2 2.89Å; E167-R387 IonicContact OE2-NH2 3.83Å; E167-R387 PolarHBondContact OE2-NH2 3.49Å
168	A	96.5	Very high	97.5	Very high	1 Å²	1	11 Å²	11	1%	0.008	6%	0.059	C	C	.	.			trans	-61	131.6	174.5	0	0	0	0	0	110.4	Y122 Y124 A126 S170 V171 I172	Y122-A168 HydrophobicContact CD1-CB 4.05Å; Y122-A168 HydrophobicContact CD2-CB 4.45Å; Y122-A168 HydrophobicContact CE1-CB 3.78Å; Y122-A168 VanDerWaalsContact CE1-N 3.34Å; Y122-A168 HydrophobicContact CE2-CB 4.22Å; Y122-A168 HydrophobicContact CG-CB 4.38Å; Y124-A168 HydrophobicContact CE2-CB 4.05Å; Y124-A168 VanDerWaalsContact OH-CB 3.26Å; Y124-A168 WeakPolarHBondContact OH-CB 3.35Å; Y124-A168 PolarHBondContact OH-N 3.23Å; A126-A168 HydrophobicContact CB-CB 4.22Å; A168-S170 VanDerWaalsContact C-N 3.29Å; A168-S170 PolarHBondContact O-N 3.48Å; A168-V171 HydrophobicContact CB-CB 4.25Å; A168-V171 HydrophobicContact CB-CG2 4.02Å; A168-V171 WeakPolarHBondContact O-CB 3.4Å; A168-V171 PolarHBondContact O-N 3.33Å; A168-I172 PolarHBondContact O-N 3.09Å; A168-I172 VanDerWaalsContact O-N 3.1Å
169	L	97.2	Very high	97.5	Very high	39 Å²	39	11 Å²	11	20%	0.204	6%	0.059	C	C	.	.	H	α-helix	trans	-55.9	-43.6	-176.9	-179.4	68.3	0	0	0	112	E167 V171 I172 L173 L203 K206 L207	E167-L169 PolarHBondContact O-N 3.35Å; L169-V171 PolarHBondContact O-N 3.12Å; L169-I172 WeakPolarHBondContact O-CG2 3.34Å; L169-L173 HydrophobicContact CD1-CD1 3.83Å; L169-L173 HydrophobicContact CD1-CG 3.96Å; L169-L173 HydrophobicContact CD2-CD1 4.42Å; L169-L173 HydrophobicContact CG-CD1 3.79Å; L169-L173 HydrophobicContact CG-CG 4.25Å; L169-L173 VanDerWaalsContact O-CB 3.31Å; L169-L173 WeakPolarHBondContact O-CB 3.3Å; L169-L173 VanDerWaalsContact O-CG 3.22Å; L169-L173 WeakPolarHBondContact O-CG 3.36Å; L169-L173 PolarHBondContact O-N 3.32Å; L169-L203 HydrophobicContact CB-CD1 4.22Å; L169-L203 HydrophobicContact CD1-CD1 3.97Å; L169-K206 HydrophobicContact CD1-CB 4.17Å; L169-K206 HydrophobicContact CD2-CB 3.59Å; L169-K206 HydrophobicContact CD2-CD 3.42Å; L169-K206 VanDerWaalsContact CD2-CD 3.42Å; L169-K206 HydrophobicContact CD2-CG 4.15Å; L169-L207 HydrophobicContact CD1-CB 4.43Å
170	S	97.8	Very high	97.4	Very high	13 Å²	13	13.6 Å²	13.6	9%	0.091	7%	0.073	C	C	.	.	H	α-helix	trans	-61.4	-33	178.5	59.1	0	0	0	0	113	S129 D130 L134 A168 R174	S129-S170 WeakPolarHBondContact CB-OG 3.49Å; S129-S170 PolarHBondContact OG-OG 3.04Å; D130-S170 PolarHBondContact N-OG 3.5Å; D130-S170 WeakPolarHBondContact OD1-CB 3.47Å; D130-S170 PolarHBondContact OD1-OG 3.43Å; L134-S170 WeakPolarHBondContact CD2-O 3.41Å; A168-S170 VanDerWaalsContact C-N 3.29Å; A168-S170 PolarHBondContact O-N 3.48Å; S170-R174 VanDerWaalsContact O-CB 3.26Å; S170-R174 WeakPolarHBondContact O-CB 3.39Å; S170-R174 PolarHBondContact O-N 2.83Å; S170-R174 VanDerWaalsContact O-N 3.12Å
171	V	97.9	Very high	97.4	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.018	10%	0.098	C	C	.	.	H	α-helix	trans	-75.7	-52	-179	173.1	0	0	0	0	110.9	Y124 S129 E167 A168 L169 L173 R174 S175 H255 F290 I385	Y124-V171 HydrophobicContact CE2-CG2 3.67Å; S129-V171 VanDerWaalsContact OG-CG2 3.25Å; S129-V171 WeakPolarHBondContact OG-CG2 3.32Å; E167-V171 HydrophobicContact CG-CG1 4.36Å; A168-V171 HydrophobicContact CB-CB 4.25Å; A168-V171 HydrophobicContact CB-CG2 4.02Å; A168-V171 WeakPolarHBondContact O-CB 3.4Å; A168-V171 PolarHBondContact O-N 3.33Å; L169-V171 PolarHBondContact O-N 3.12Å; V171-L173 VanDerWaalsContact C-N 3.32Å; V171-L173 PolarHBondContact O-N 2.84Å; V171-R174 PolarHBondContact O-N 2.82Å; V171-R174 VanDerWaalsContact O-N 3.14Å; V171-S175 PolarHBondContact O-N 2.95Å; V171-S175 PolarHBondContact O-OG 3.3Å; V171-S175 VanDerWaalsContact O-OG 3.13Å; V171-H255 HydrophobicContact CG1-CB 3.46Å; V171-H255 VanDerWaalsContact CG1-CB 3.46Å; V171-F290 HydrophobicContact CG2-CE1 4.34Å; V171-F290 HydrophobicContact CG2-CZ 4.28Å; V171-I385 HydrophobicContact CG1-CD1 3.75Å; V171-I385 HydrophobicContact CG2-CD1 4.13Å
172	I	97.9	Very high	97.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.8	-39.8	179.4	-170.8	170.1	0	0	0	111.8	F164 E167 A168 L169 R174 S175 I176 L203 L207 A254	F164-I172 HydrophobicContact CB-CD1 4.29Å; F164-I172 HydrophobicContact CD1-CD1 3.56Å; F164-I172 HydrophobicContact CD2-CD1 4.19Å; F164-I172 HydrophobicContact CE1-CD1 3.85Å; F164-I172 HydrophobicContact CE2-CD1 4.42Å; F164-I172 HydrophobicContact CG-CD1 3.75Å; F164-I172 HydrophobicContact CZ-CD1 4.25Å; E167-I172 HydrophobicContact CG-CB 4.28Å; A168-I172 PolarHBondContact O-N 3.09Å; A168-I172 VanDerWaalsContact O-N 3.1Å; L169-I172 WeakPolarHBondContact O-CG2 3.34Å; I172-R174 VanDerWaalsContact C-N 3.35Å; I172-R174 PolarHBondContact O-N 3.31Å; I172-S175 WeakPolarHBondContact O-CB 3.23Å; I172-S175 PolarHBondContact O-N 3.38Å; I172-I176 HydrophobicContact CG1-CD1 4.22Å; I172-I176 WeakPolarHBondContact O-CG1 3.35Å; I172-I176 PolarHBondContact O-N 3.12Å; I172-L203 HydrophobicContact CG2-CD1 4.36Å; I172-L207 HydrophobicContact CD1-CD2 4.23Å; I172-A254 WeakPolarHBondContact CA-O 3.25Å; I172-A254 HydrophobicContact CB-CB 4.47Å; I172-A254 HydrophobicContact CD1-CB 4.18Å; I172-A254 HydrophobicContact CG1-CB 4.12Å
173	L	98.3	Very high	97.2	Very high	19 Å²	19	21.8 Å²	21.8	10%	0.099	11%	0.112	C	C	.	.	H	α-helix	trans	-64.7	-39.3	175.5	-69.3	-178.8	0	0	0	111.5	L134 L169 V171 S175 I176 H177 L207 F210	L134-L173 HydrophobicContact CD1-CB 4.02Å; L134-L173 HydrophobicContact CD1-CD1 4.25Å; L134-L173 HydrophobicContact CD2-CB 3.9Å; L169-L173 HydrophobicContact CD1-CD1 3.83Å; L169-L173 HydrophobicContact CD1-CG 3.96Å; L169-L173 HydrophobicContact CD2-CD1 4.42Å; L169-L173 HydrophobicContact CG-CD1 3.79Å; L169-L173 HydrophobicContact CG-CG 4.25Å; L169-L173 VanDerWaalsContact O-CB 3.31Å; L169-L173 WeakPolarHBondContact O-CB 3.3Å; L169-L173 VanDerWaalsContact O-CG 3.22Å; L169-L173 WeakPolarHBondContact O-CG 3.36Å; L169-L173 PolarHBondContact O-N 3.32Å; V171-L173 VanDerWaalsContact C-N 3.32Å; V171-L173 PolarHBondContact O-N 2.84Å; L173-S175 VanDerWaalsContact C-N 3.33Å; L173-S175 PolarHBondContact O-N 2.87Å; L173-I176 HydrophobicContact CD2-CD1 4.41Å; L173-I176 PolarHBondContact O-N 2.81Å; L173-H177 WeakPolarHBondContact O-CB 3.42Å; L173-H177 PolarHBondContact O-CD2 2.86Å; L173-H177 PolarHBondContact O-N 2.8Å; L173-L207 HydrophobicContact CD2-CD1 4.03Å; L173-F210 HydrophobicContact CD2-CB 4.16Å; L173-F210 HydrophobicContact CD2-CD1 3.63Å; L173-F210 HydrophobicContact CD2-CD2 3.93Å; L173-F210 HydrophobicContact CD2-CE1 3.97Å; L173-F210 HydrophobicContact CD2-CE2 4.24Å; L173-F210 HydrophobicContact CD2-CG 3.61Å; L173-F210 HydrophobicContact CD2-CZ 4.26Å
174	R	98.4	Very high	97.3	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.015	12%	0.119	C	C	.	.	H	α-helix	trans	-64.2	-37.7	175.4	-166.7	179.8	-55.2	120	13.7	111.9	S129 S133 L134 S170 V171 I172 H177 S178 E257 F290	S129-R174 PolarHBondContact O-NH2 3.07Å; S129-R174 PolarHBondContact OG-NH1 2.58Å; S129-R174 PolarHBondContact OG-NH2 2.73Å; S133-R174 PolarHBondContact O-NE 3.36Å; L134-R174 HydrophobicContact CD2-CB 4.26Å; S170-R174 VanDerWaalsContact O-CB 3.26Å; S170-R174 WeakPolarHBondContact O-CB 3.39Å; S170-R174 PolarHBondContact O-N 2.83Å; S170-R174 VanDerWaalsContact O-N 3.12Å; V171-R174 PolarHBondContact O-N 2.82Å; V171-R174 VanDerWaalsContact O-N 3.14Å; I172-R174 VanDerWaalsContact C-N 3.35Å; I172-R174 PolarHBondContact O-N 3.31Å; R174-H177 PolarHBondContact O-N 3.12Å; R174-S178 VanDerWaalsContact O-CB 3.32Å; R174-S178 WeakPolarHBondContact O-CB 3.34Å; R174-S178 PolarHBondContact O-N 3.14Å; R174-S178 PolarHBondContact O-OG 2.88Å; R174-E257 WeakPolarHBondContact CD-OE1 3.22Å; R174-E257 HydrophobicContact CG-CG 4.12Å; R174-F290 VanDerWaalsContact NH1-CE1 3.3Å
175	S	98.4	Very high	97.3	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.007	15%	0.148	C	C	.	.	H	α-helix	trans	-60.5	-45.6	172.3	-55.4	0	0	0	0	111.8	V171 I172 L173 S178 A179 A254 V256	V171-S175 PolarHBondContact O-N 2.95Å; V171-S175 PolarHBondContact O-OG 3.3Å; V171-S175 VanDerWaalsContact O-OG 3.13Å; I172-S175 WeakPolarHBondContact O-CB 3.23Å; I172-S175 PolarHBondContact O-N 3.38Å; L173-S175 VanDerWaalsContact C-N 3.33Å; L173-S175 PolarHBondContact O-N 2.87Å; S175-S178 PolarHBondContact O-OG 2.99Å; S175-S178 VanDerWaalsContact O-OG 3.04Å; S175-A179 WeakPolarHBondContact O-CB 3.25Å; S175-A179 PolarHBondContact O-N 3.19Å; S175-A254 WeakPolarHBondContact CB-O 3.31Å; S175-A254 PolarHBondContact OG-O 3.41Å; S175-V256 WeakPolarHBondContact CA-O 3.46Å; S175-V256 WeakPolarHBondContact CB-O 3.42Å; S175-V256 PolarHBondContact OG-N 2.83Å; S175-V256 VanDerWaalsContact OG-N 3.08Å; S175-V256 PolarHBondContact OG-O 3.46Å
176	I	98.4	Very high	97.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.2	-48.1	177.4	-64.1	162.6	0	0	0	111.2	F162 I172 L173 S178 A179 I180 I191 L193 L207 F210 I222	F162-I176 HydrophobicContact CD2-CG1 4.11Å; F162-I176 HydrophobicContact CE2-CG1 4.04Å; I172-I176 HydrophobicContact CG1-CD1 4.22Å; I172-I176 WeakPolarHBondContact O-CG1 3.35Å; I172-I176 PolarHBondContact O-N 3.12Å; L173-I176 HydrophobicContact CD2-CD1 4.41Å; L173-I176 PolarHBondContact O-N 2.81Å; I176-S178 PolarHBondContact O-N 3.19Å; I176-A179 PolarHBondContact O-N 3.24Å; I176-I180 HydrophobicContact CG2-CD1 3.73Å; I176-I180 HydrophobicContact CG2-CG1 4.41Å; I176-I180 VanDerWaalsContact O-CG1 3.31Å; I176-I180 WeakPolarHBondContact O-CG1 3.06Å; I176-I180 PolarHBondContact O-N 3.44Å; I176-I191 HydrophobicContact CG2-CD1 3.97Å; I176-L193 HydrophobicContact CD1-CD1 3.88Å; I176-L193 HydrophobicContact CD1-CD2 3.84Å; I176-L193 HydrophobicContact CG1-CD2 4.11Å; I176-L207 HydrophobicContact CD1-CD1 4.29Å; I176-F210 HydrophobicContact CD1-CE1 4.19Å; I176-F210 HydrophobicContact CG2-CE1 3.84Å; I176-F210 HydrophobicContact CG2-CZ 3.99Å; I176-I222 HydrophobicContact CG2-CD1 4.09Å
177	H	98.1	Very high	97.6	Very high	51 Å²	51	28.4 Å²	28.4	24%	0.236	15%	0.153	C	C	.	.	H	α-helix	trans	-61.3	-44	179.2	-88.2	-81.9	0	0	0	112.1	L134 L173 R174 I180 N181 F210	L134-H177 HydrophobicContact CB-CB 4.41Å; L134-H177 WeakPolarHBondContact O-CB 3.4Å; L173-H177 WeakPolarHBondContact O-CB 3.42Å; L173-H177 PolarHBondContact O-CD2 2.86Å; L173-H177 PolarHBondContact O-N 2.8Å; R174-H177 PolarHBondContact O-N 3.12Å; H177-I180 PolarHBondContact O-N 3.24Å; H177-N181 VanDerWaalsContact O-CB 3.25Å; H177-N181 WeakPolarHBondContact O-CB 3.34Å; H177-N181 PolarHBondContact O-N 2.91Å; H177-N181 PolarHBondContact O-ND2 3.43Å; H177-F210 AromaticContact NE2-CE2 3.6Å
178	S	98.1	Very high	97.7	Very high	14 Å²	14	28.4 Å²	28.4	10%	0.098	15%	0.153	C	C	.	.	H	α-helix	trans	-66	-40.3	177.3	64.4	0	0	0	0	111.5	R174 S175 I176 I180 N181 R182 F258	R174-S178 VanDerWaalsContact O-CB 3.32Å; R174-S178 WeakPolarHBondContact O-CB 3.34Å; R174-S178 PolarHBondContact O-N 3.14Å; R174-S178 PolarHBondContact O-OG 2.88Å; S175-S178 PolarHBondContact O-OG 2.99Å; S175-S178 VanDerWaalsContact O-OG 3.04Å; I176-S178 PolarHBondContact O-N 3.19Å; S178-I180 PolarHBondContact O-N 3.13Å; S178-N181 PolarHBondContact O-N 3.07Å; S178-R182 WeakPolarHBondContact O-CB 3.14Å; S178-R182 VanDerWaalsContact O-CG 3.23Å; S178-R182 WeakPolarHBondContact O-CG 3.38Å; S178-R182 PolarHBondContact O-N 3.22Å; S178-F258 PolarHBondContact OG-N 2.75Å
179	A	98.2	Very high	97.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.7	-45.5	174.1	0	0	0	0	0	112.5	I160 F162 S175 I176 T183 I191 F258	I160-A179 HydrophobicContact CD1-CB 3.91Å; F162-A179 HydrophobicContact CE2-CB 4.4Å; F162-A179 HydrophobicContact CZ-CB 4.1Å; S175-A179 WeakPolarHBondContact O-CB 3.25Å; S175-A179 PolarHBondContact O-N 3.19Å; I176-A179 PolarHBondContact O-N 3.24Å; A179-T183 WeakPolarHBondContact O-CB 3.37Å; A179-T183 PolarHBondContact O-N 2.95Å; A179-T183 PolarHBondContact O-OG1 2.85Å; A179-I191 HydrophobicContact CB-CD1 4.46Å; A179-F258 HydrophobicContact CB-CD2 3.84Å; A179-F258 HydrophobicContact CB-CE2 3.73Å; A179-F258 HydrophobicContact CB-CZ 4.32Å
180	I	97.5	Very high	97.9	Very high	55 Å²	55	30.9 Å²	30.9	28%	0.282	16%	0.162	S	C	.	.	H	α-helix	trans	-65.2	-47.6	178	-67.1	169.2	0	0	0	110.8	I176 H177 S178 R182 L188 I191 F221	I176-I180 HydrophobicContact CG2-CD1 3.73Å; I176-I180 HydrophobicContact CG2-CG1 4.41Å; I176-I180 VanDerWaalsContact O-CG1 3.31Å; I176-I180 WeakPolarHBondContact O-CG1 3.06Å; I176-I180 PolarHBondContact O-N 3.44Å; H177-I180 PolarHBondContact O-N 3.24Å; S178-I180 PolarHBondContact O-N 3.13Å; I180-R182 PolarHBondContact O-N 3.1Å; I180-L188 HydrophobicContact CG1-CD2 4.35Å; I180-I191 HydrophobicContact CD1-CD1 4.12Å; I180-I191 HydrophobicContact CG1-CD1 3.67Å; I180-F221 HydrophobicContact CD1-CE1 3.91Å; I180-F221 HydrophobicContact CG1-CE1 3.96Å; I180-F221 HydrophobicContact CG1-CZ 4.2Å
181	N	97.2	Very high	97.9	Very high	99 Å²	99	30.3 Å²	30.3	53%	0.529	16%	0.158	S	C	.	.	H	α-helix	trans	-74.1	-26.1	-173.6	-71.1	-19.8	0	0	0	113.4	H177 S178	H177-N181 VanDerWaalsContact O-CB 3.25Å; H177-N181 WeakPolarHBondContact O-CB 3.34Å; H177-N181 PolarHBondContact O-N 2.91Å; H177-N181 PolarHBondContact O-ND2 3.43Å; S178-N181 PolarHBondContact O-N 3.07Å
182	R	97.3	Very high	97.9	Very high	65 Å²	65	30.1 Å²	30.1	25%	0.245	16%	0.157	C	C	.	.	H	α-helix	trans	-109.3	4.3	-172.6	-55.6	-66.8	-167.4	85	-5	113.7	S178 I180 F258	S178-R182 WeakPolarHBondContact O-CB 3.14Å; S178-R182 VanDerWaalsContact O-CG 3.23Å; S178-R182 WeakPolarHBondContact O-CG 3.38Å; S178-R182 PolarHBondContact O-N 3.22Å; I180-R182 PolarHBondContact O-N 3.1Å; R182-F258 HydrophobicContact CB-CB 4.16Å; R182-F258 WeakPolarHBondContact CG-O 3.35Å; R182-F258 PolarHBondContact NH1-O 3.32Å; R182-F258 VanDerWaalsContact NH1-O 3.14Å
183	T	98.1	Very high	98	Very high	7 Å²	7	30.1 Å²	30.1	4%	0.043	16%	0.157	C	C	.	.	S	Bend	trans	-115.3	126.4	173.9	-48	0	0	0	0	109.5	A179 S185 L187 L188 W262 A263	A179-T183 WeakPolarHBondContact O-CB 3.37Å; A179-T183 PolarHBondContact O-N 2.95Å; A179-T183 PolarHBondContact O-OG1 2.85Å; T183-S185 PolarHBondContact O-N 2.79Å; T183-L187 HydrophobicContact CG2-CB 4.44Å; T183-L188 HydrophobicContact CG2-CB 3.79Å; T183-W262 PolarHBondContact OG1-NE1 2.79Å; T183-A263 HydrophobicContact CG2-CB 4.04Å
184	P	97.3	Very high	98	Very high	34 Å²	34	29.2 Å²	29.2	22%	0.221	15%	0.152	C	C	.	.			trans	-53.8	133.3	176	-26.4	34.1	0	0	0	112.1	H186 L187 L188 E264	P184-H186 VanDerWaalsContact CB-CE1 3.45Å; P184-H186 WeakPolarHBondContact CB-CE1 3.21Å; P184-H186 PolarHBondContact O-N 3.33Å; P184-H186 VanDerWaalsContact O-N 3.12Å; P184-L187 HydrophobicContact CB-CD1 4.06Å; P184-L187 HydrophobicContact CB-CG 4.13Å; P184-L187 HydrophobicContact CG-CD1 3.93Å; P184-L187 WeakPolarHBondContact O-CB 3.32Å; P184-L187 PolarHBondContact O-N 3.12Å; P184-L188 PolarHBondContact O-N 2.97Å; P184-L188 VanDerWaalsContact O-N 3.11Å; P184-E264 WeakPolarHBondContact CG-OE1 3.3Å
185	S	95.9	Very high	98	Very high	95 Å²	95	29.3 Å²	29.3	66%	0.664	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-30.6	-171.4	58.8	0	0	0	0	114.3	T183 L187	T183-S185 PolarHBondContact O-N 2.79Å; S185-L187 VanDerWaalsContact C-N 3.32Å
186	H	96.6	Very high	97.9	Very high	92 Å²	92	29.5 Å²	29.5	43%	0.426	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-21.1	176.7	65.4	-83.4	0	0	0	113.2	Q157 P184	Q157-H186 PolarHBondContact NE2-O 3.09Å; P184-H186 VanDerWaalsContact CB-CE1 3.45Å; P184-H186 WeakPolarHBondContact CB-CE1 3.21Å; P184-H186 PolarHBondContact O-N 3.33Å; P184-H186 VanDerWaalsContact O-N 3.12Å
187	L	98.4	Very high	97.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-36.8	177.6	-57.8	-179.2	0	0	0	111.9	L155 Q157 V158 T183 P184 S185 K189 E264 L267	L155-L187 HydrophobicContact CB-CD2 3.68Å; L155-L187 HydrophobicContact CD1-CD1 4.37Å; Q157-L187 CarbonylContact C-O 3.55Å; Q157-L187 WeakPolarHBondContact CA-O 3.24Å; Q157-L187 WeakPolarHBondContact CB-O 3.3Å; V158-L187 PolarHBondContact N-O 3.33Å; T183-L187 HydrophobicContact CG2-CB 4.44Å; P184-L187 HydrophobicContact CB-CD1 4.06Å; P184-L187 HydrophobicContact CB-CG 4.13Å; P184-L187 HydrophobicContact CG-CD1 3.93Å; P184-L187 WeakPolarHBondContact O-CB 3.32Å; P184-L187 PolarHBondContact O-N 3.12Å; S185-L187 VanDerWaalsContact C-N 3.32Å; L187-K189 PolarHBondContact O-N 3.25Å; L187-E264 HydrophobicContact CD1-CG 4.07Å; L187-L267 HydrophobicContact CB-CD1 4.2Å; L187-L267 HydrophobicContact CD1-CD1 3.95Å; L187-L267 HydrophobicContact CD2-CD1 4.42Å; L187-L267 HydrophobicContact CG-CD1 4.42Å
188	L	98.4	Very high	97.6	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.016	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	102.9	-179.2	-175.8	53.7	0	0	0	111.1	V158 I160 I180 T183 P184 I191 R218 F221	V158-L188 HydrophobicContact CG1-CD1 4.47Å; I160-L188 HydrophobicContact CB-CD1 4.46Å; I160-L188 HydrophobicContact CD1-CD1 3.53Å; I160-L188 HydrophobicContact CG1-CD1 3.79Å; I180-L188 HydrophobicContact CG1-CD2 4.35Å; T183-L188 HydrophobicContact CG2-CB 3.79Å; P184-L188 PolarHBondContact O-N 2.97Å; P184-L188 VanDerWaalsContact O-N 3.11Å; L188-I191 HydrophobicContact CD1-CG1 4.3Å; L188-I191 HydrophobicContact CD2-CD1 4.39Å; L188-R218 PolarHBondContact O-NH2 2.9Å; L188-F221 HydrophobicContact CD2-CE2 4.25Å; L188-F221 HydrophobicContact CD2-CZ 3.71Å; L188-F221 HydrophobicContact CG-CE2 3.96Å; L188-F221 HydrophobicContact CG-CZ 3.96Å
189	K	98.3	Very high	97.3	Very high	87 Å²	87	35 Å²	35	38%	0.378	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	-54	-179.5	179.3	57.6	166.9	-169.1	0	111.7	Q157 V158 L187 R218 A246	Q157-K189 HydrophobicContact CB-CB 4.1Å; V158-K189 WeakPolarHBondContact O-CB 3.39Å; V158-K189 PolarHBondContact O-N 3.45Å; L187-K189 PolarHBondContact O-N 3.25Å; K189-R218 PolarHBondContact O-NH2 2.04Å; K189-A246 HydrophobicContact CB-CB 3.82Å; K189-A246 HydrophobicContact CG-CB 4.08Å
190	E	98.5	Very high	97.1	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.028	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	160.8	-170.9	64.4	-165.9	158.2	0	0	110.8	S159 I160 I192 F221 K223 T245	S159-E190 VanDerWaalsContact OG-CG 3.31Å; S159-E190 WeakPolarHBondContact OG-CG 3.37Å; S159-E190 PolarHBondContact OG-OE1 2.76Å; I160-E190 PolarHBondContact N-O 3.14Å; E190-I192 HydrophobicContact CG-CD1 4.39Å; E190-I192 HydrophobicContact CG-CG1 4.35Å; E190-F221 CarbonylContact C-O 3.55Å; E190-F221 VanDerWaalsContact CA-O 3.27Å; E190-F221 WeakPolarHBondContact CA-O 3.45Å; E190-F221 WeakPolarHBondContact CB-O 3.08Å; E190-K223 WeakPolarHBondContact OE2-CE 3.49Å; E190-K223 IonicContact OE2-NZ 3.81Å; E190-K223 PolarHBondContact OE2-NZ 2.96Å; E190-T245 VanDerWaalsContact CD-OG1 3.29Å; E190-T245 WeakPolarHBondContact OE1-CB 3.48Å; E190-T245 PolarHBondContact OE1-N 3.16Å; E190-T245 PolarHBondContact OE1-OG1 3.31Å; E190-T245 PolarHBondContact OE2-OG1 3.17Å
191	I	98.8	Very high	96.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.4	170.6	-60.9	177.2	0	0	0	108.2	I160 F162 I176 A179 I180 L188 L193 F221 I222 K223	I160-I191 HydrophobicContact CB-CG1 4.44Å; I160-I191 CarbonylContact O-C 3.57Å; I160-I191 VanDerWaalsContact O-CA 3.3Å; I160-I191 WeakPolarHBondContact O-CA 3.37Å; F162-I191 HydrophobicContact CD2-CG2 3.82Å; F162-I191 HydrophobicContact CE2-CG2 3.94Å; I176-I191 HydrophobicContact CG2-CD1 3.97Å; A179-I191 HydrophobicContact CB-CD1 4.46Å; I180-I191 HydrophobicContact CD1-CD1 4.12Å; I180-I191 HydrophobicContact CG1-CD1 3.67Å; L188-I191 HydrophobicContact CD1-CG1 4.3Å; L188-I191 HydrophobicContact CD2-CD1 4.39Å; I191-L193 HydrophobicContact CG2-CD2 3.85Å; I191-F221 HydrophobicContact CD1-CE1 4.33Å; I191-F221 HydrophobicContact CD1-CZ 4.2Å; I191-F221 HydrophobicContact CG1-CZ 4.26Å; I191-F221 PolarHBondContact N-O 3.21Å; I191-I222 HydrophobicContact CB-CG1 4.29Å; I191-I222 CarbonylContact O-C 3.44Å; I191-I222 VanDerWaalsContact O-CA 3.29Å; I191-I222 WeakPolarHBondContact O-CA 3.32Å; I191-K223 PolarHBondContact O-N 3.38Å
192	I	98.9	Very high	96.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121.1	-177.6	-59	169.8	0	0	0	107.7	I160 V161 F162 E190 V194 K223 V225 A243 A244	I160-I192 PolarHBondContact O-N 3.27Å; V161-I192 CarbonylContact C-O 3.58Å; V161-I192 VanDerWaalsContact CA-O 3.31Å; V161-I192 WeakPolarHBondContact CA-O 3.31Å; V161-I192 HydrophobicContact CG2-CB 4.16Å; V161-I192 HydrophobicContact CG2-CD1 4.22Å; F162-I192 PolarHBondContact N-O 3.25Å; E190-I192 HydrophobicContact CG-CD1 4.39Å; E190-I192 HydrophobicContact CG-CG1 4.35Å; I192-V194 HydrophobicContact CG2-CG2 4.16Å; I192-K223 CarbonylContact C-O 3.5Å; I192-K223 WeakPolarHBondContact CA-O 3.19Å; I192-K223 HydrophobicContact CG1-CB 4.39Å; I192-K223 HydrophobicContact CG1-CD 4.47Å; I192-V225 HydrophobicContact CG2-CG2 4.11Å; I192-A243 HydrophobicContact CD1-CB 4.14Å; I192-A243 HydrophobicContact CG2-CB 4.1Å; I192-A244 VanDerWaalsContact CD1-CA 3.43Å; I192-A244 HydrophobicContact CD1-CB 3.69Å
193	L	98.7	Very high	96.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	116	178.5	-52.8	-177	0	0	0	107.9	F162 F164 I176 I191 L207 V211 I222 K223 I224 V225	F162-L193 HydrophobicContact CB-CD2 3.97Å; F162-L193 HydrophobicContact CD2-CD2 3.78Å; F162-L193 HydrophobicContact CG-CD2 4.38Å; F164-L193 HydrophobicContact CE1-CB 4.01Å; I176-L193 HydrophobicContact CD1-CD1 3.88Å; I176-L193 HydrophobicContact CD1-CD2 3.84Å; I176-L193 HydrophobicContact CG1-CD2 4.11Å; I191-L193 HydrophobicContact CG2-CD2 3.85Å; L193-L207 HydrophobicContact CD1-CD1 3.91Å; L193-L207 HydrophobicContact CD1-CD2 4.09Å; L193-L207 HydrophobicContact CD1-CG 4.14Å; L193-V211 HydrophobicContact CD1-CG2 4.04Å; L193-I222 HydrophobicContact CD1-CG2 3.81Å; L193-I222 HydrophobicContact CG-CG2 3.89Å; L193-K223 PolarHBondContact N-O 3.45Å; L193-I224 HydrophobicContact CB-CG1 4.33Å; L193-I224 HydrophobicContact CD1-CG1 4.37Å; L193-I224 CarbonylContact O-C 3.48Å; L193-I224 WeakPolarHBondContact O-CA 3.41Å; L193-V225 PolarHBondContact O-N 3.14Å
194	V	98.6	Very high	96	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	106.5	178.3	-172	0	0	0	0	108.6	V161 F162 I163 F164 I192 V225 G240	V161-V194 HydrophobicContact CG1-CG2 3.88Å; F162-V194 PolarHBondContact O-N 3.49Å; I163-V194 HydrophobicContact CG1-CB 4.04Å; I163-V194 HydrophobicContact CG1-CG2 4.32Å; F164-V194 VanDerWaalsContact CD1-O 3.26Å; F164-V194 WeakPolarHBondContact CD1-O 3.46Å; F164-V194 PolarHBondContact N-O 3.42Å; I192-V194 HydrophobicContact CG2-CG2 4.16Å; V194-V225 WeakPolarHBondContact CA-O 3.08Å; V194-V225 HydrophobicContact CG1-CB 4.48Å; V194-V225 HydrophobicContact CG1-CG1 4.49Å; V194-V225 HydrophobicContact CG2-CB 4.36Å; V194-G240 VanDerWaalsContact CG2-CA 3.5Å
195	D	97.8	Very high	95.9	Very high	5 Å²	5	44 Å²	44	3%	0.027	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	106.9	175.1	-178.3	10.4	0	0	0	109.3	F164 N197 S198 V225 R226 H227	F164-D195 HydrophobicContact CE1-CB 4.02Å; F164-D195 HydrophobicContact CE2-CB 4.01Å; F164-D195 HydrophobicContact CZ-CB 3.55Å; D195-N197 PolarHBondContact O-N 3.17Å; D195-N197 PolarHBondContact OD1-N 3.06Å; D195-S198 WeakPolarHBondContact OD1-CB 3.46Å; D195-S198 PolarHBondContact OD1-N 3.5Å; D195-S198 PolarHBondContact OD1-OG 3.41Å; D195-V225 PolarHBondContact N-O 2.87Å; D195-R226 HydrophobicContact CB-CG 4.2Å; D195-H227 PolarHBondContact O-N 2.79Å
196	D	96.3	Very high	95.9	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.032	21%	0.213	C	C	.	.			trans	-81.9	52.1	177.8	-166.2	34	0	0	0	111.7	F164 V165 H227 Q230 E231 G232 S236	F164-D196 PolarHBondContact O-N 3.34Å; V165-D196 HydrophobicContact CB-CB 4.37Å; D196-H227 IonicContact OD1-CE1 3.35Å; D196-H227 IonicContact OD1-CG 3.86Å; D196-H227 IonicContact OD1-ND1 2.78Å; D196-H227 PolarHBondContact OD1-ND1 2.97Å; D196-Q230 WeakPolarHBondContact OD2-CG 3.11Å; D196-E231 PolarHBondContact OD1-N 2.97Å; D196-G232 PolarHBondContact OD1-N 3.35Å; D196-G232 WeakPolarHBondContact OD2-CA 3.13Å; D196-G232 PolarHBondContact OD2-N 3.42Å; D196-S236 WeakPolarHBondContact CB-OG 3.47Å; D196-S236 VanDerWaalsContact CG-OG 3.31Å; D196-S236 PolarHBondContact OD1-OG 3.24Å
197	N	95.6	Very high	95.9	Very high	65 Å²	65	39.9 Å²	39.9	35%	0.348	19%	0.194	S	C	.	.			trans	62.6	53.2	178	-170.4	54.6	0	0	0	114.3	D195 Q230	D195-N197 PolarHBondContact O-N 3.17Å; D195-N197 PolarHBondContact OD1-N 3.06Å; N197-Q230 HydrophobicContact CB-CB 4.5Å
198	S	94.9	Very high	95.8	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.007	21%	0.206	C	C	.	.			trans	-55.2	149	170.4	-58.4	0	0	0	0	111.4	N166 D195 K204	N166-S198 PolarHBondContact N-OG 3.45Å; N166-S198 VanDerWaalsContact OD1-CA 3.3Å; N166-S198 WeakPolarHBondContact OD1-CA 3.35Å; N166-S198 WeakPolarHBondContact OD1-CB 3.49Å; D195-S198 WeakPolarHBondContact OD1-CB 3.46Å; D195-S198 PolarHBondContact OD1-N 3.5Å; D195-S198 PolarHBondContact OD1-OG 3.41Å; S198-K204 WeakPolarHBondContact O-CE 3.46Å; S198-K204 PolarHBondContact O-NZ 2.93Å
199	N	93.2	Very high	95.7	Very high	115 Å²	115	47.2 Å²	47.2	62%	0.615	23%	0.231	S	C	*	.			trans	-111.1	0.7	177.1	65.7	4.9	0	0	0	113.5	N166 D201	N166-N199 VanDerWaalsContact CG-OD1 3.29Å; N166-N199 PolarHBondContact ND2-OD1 2.88Å; N166-N199 PolarHBondContact OD1-N 3.41Å; N166-N199 PolarHBondContact OD1-OD1 2.71Å; N166-N199 VanDerWaalsContact OD1-OD1 3.06Å; N199-D201 PolarHBondContact O-N 2.92Å
200	N	92.1	Very high	95.6	Very high	39 Å²	39	44.5 Å²	44.5	21%	0.209	22%	0.219	C	C	.	.			trans	-84.6	107.9	174	-175.7	-27.5	0	0	0	110.8	N166 E202 L203 K204	N166-N200 PolarHBondContact OD1-N 3.13Å; N200-E202 WeakPolarHBondContact OD1-CB 3.13Å; N200-E202 PolarHBondContact OD1-N 2.76Å; N200-E202 VanDerWaalsContact OD1-N 3.07Å; N200-L203 HydrophobicContact CB-CB 3.93Å; N200-L203 PolarHBondContact O-N 2.72Å; N200-L203 PolarHBondContact OD1-N 3.31Å; N200-K204 WeakPolarHBondContact O-CG 3.24Å; N200-K204 PolarHBondContact O-N 2.78Å
201	D	91.3	Very high	95.5	Very high	106 Å²	106	44.4 Å²	44.4	57%	0.567	22%	0.22	S	C	*	.	H	α-helix	trans	-69.1	-36.8	-179.4	-67.7	-32.1	0	0	0	112.7	N199 L203 K204 E205	N199-D201 PolarHBondContact O-N 2.92Å; D201-L203 VanDerWaalsContact C-N 3.31Å; D201-L203 PolarHBondContact O-N 2.77Å; D201-K204 WeakPolarHBondContact O-CB 3.49Å; D201-K204 PolarHBondContact O-N 3.45Å; D201-K204 VanDerWaalsContact O-N 3.1Å; D201-E205 WeakPolarHBondContact O-CG 3.4Å; D201-E205 PolarHBondContact O-N 2.85Å
202	E	90.9	Very high	95.5	Very high	111 Å²	111	49.3 Å²	49.3	52%	0.519	25%	0.245	S	C	.	.	H	α-helix	trans	-61.7	-40.6	177	-177.1	-177.5	-179.9	0	0	111.5	N200 K206	N200-E202 WeakPolarHBondContact OD1-CB 3.13Å; N200-E202 PolarHBondContact OD1-N 2.76Å; N200-E202 VanDerWaalsContact OD1-N 3.07Å; E202-K206 HydrophobicContact CG-CD 3.89Å; E202-K206 HydrophobicContact CG-CG 4.44Å; E202-K206 WeakPolarHBondContact O-CB 3.34Å; E202-K206 WeakPolarHBondContact O-CG 3.33Å; E202-K206 PolarHBondContact O-N 3.02Å; E202-K206 WeakPolarHBondContact OE1-CE 3.45Å; E202-K206 IonicContact OE1-NZ 2.72Å; E202-K206 PolarHBondContact OE1-NZ 2.92Å
203	L	92.3	Very high	95.3	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-59.4	-48.7	172.6	171.2	63.9	0	0	0	110.7	F164 E167 L169 I172 N200 D201 L207	F164-L203 HydrophobicContact CD2-CD2 4.22Å; F164-L203 HydrophobicContact CE2-CD2 4.09Å; E167-L203 WeakPolarHBondContact O-CD2 3.1Å; L169-L203 HydrophobicContact CB-CD1 4.22Å; L169-L203 HydrophobicContact CD1-CD1 3.97Å; I172-L203 HydrophobicContact CG2-CD1 4.36Å; N200-L203 HydrophobicContact CB-CB 3.93Å; N200-L203 PolarHBondContact O-N 2.72Å; N200-L203 PolarHBondContact OD1-N 3.31Å; D201-L203 VanDerWaalsContact C-N 3.31Å; D201-L203 PolarHBondContact O-N 2.77Å; L203-L207 WeakPolarHBondContact O-CB 3.42Å; L203-L207 PolarHBondContact O-N 3.4Å
204	K	93.3	Very high	95.2	Very high	57 Å²	57	56.3 Å²	56.3	25%	0.248	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-46.9	-177.4	-71.8	175	-178.3	170.8	0	112.1	S198 N200 D201 Q208	S198-K204 WeakPolarHBondContact O-CE 3.46Å; S198-K204 PolarHBondContact O-NZ 2.93Å; N200-K204 WeakPolarHBondContact O-CG 3.24Å; N200-K204 PolarHBondContact O-N 2.78Å; D201-K204 WeakPolarHBondContact O-CB 3.49Å; D201-K204 PolarHBondContact O-N 3.45Å; D201-K204 VanDerWaalsContact O-N 3.1Å; K204-Q208 VanDerWaalsContact O-CB 3.23Å; K204-Q208 WeakPolarHBondContact O-CB 3.4Å; K204-Q208 PolarHBondContact O-N 2.78Å
205	E	95.3	Very high	95.1	Very high	133 Å²	133	58 Å²	58	62%	0.621	29%	0.288	S	S	*	.	H	α-helix	trans	-64.5	-55.1	-179.1	-71.6	-179.6	175	0	0	110.9	D201 L207 Q208 D209	D201-E205 WeakPolarHBondContact O-CG 3.4Å; D201-E205 PolarHBondContact O-N 2.85Å; E205-L207 VanDerWaalsContact C-N 3.32Å; E205-L207 PolarHBondContact O-N 2.61Å; E205-Q208 WeakPolarHBondContact O-CA 3.42Å; E205-Q208 WeakPolarHBondContact O-CB 3.39Å; E205-Q208 PolarHBondContact O-N 3.16Å; E205-D209 PolarHBondContact O-N 3.12Å
206	K	96.1	Very high	95.1	Very high	96 Å²	96	62.1 Å²	62.1	42%	0.417	32%	0.318	S	S	.	.	H	α-helix	trans	-64.7	-35.8	-177.3	-69	-177.7	174.5	178.5	0	112.9	L169 E202 D209 F210	L169-K206 HydrophobicContact CD1-CB 4.17Å; L169-K206 HydrophobicContact CD2-CB 3.59Å; L169-K206 HydrophobicContact CD2-CD 3.42Å; L169-K206 VanDerWaalsContact CD2-CD 3.42Å; L169-K206 HydrophobicContact CD2-CG 4.15Å; E202-K206 HydrophobicContact CG-CD 3.89Å; E202-K206 HydrophobicContact CG-CG 4.44Å; E202-K206 WeakPolarHBondContact O-CB 3.34Å; E202-K206 WeakPolarHBondContact O-CG 3.33Å; E202-K206 PolarHBondContact O-N 3.02Å; E202-K206 WeakPolarHBondContact OE1-CE 3.45Å; E202-K206 IonicContact OE1-NZ 2.72Å; E202-K206 PolarHBondContact OE1-NZ 2.92Å; K206-D209 PolarHBondContact O-N 2.89Å; K206-F210 PolarHBondContact O-N 2.03Å; K206-F210 VanDerWaalsContact O-N 3.1Å
207	L	96.2	Very high	95	Very high	4 Å²	4	69.1 Å²	69.1	2%	0.021	35%	0.35	C	S	.	.	H	α-helix	trans	-68.2	-38.1	174.6	-173	63.2	0	0	0	111.2	F164 L169 I172 L173 I176 L193 L203 E205 F210 V211	F164-L207 HydrophobicContact CE1-CD2 4.24Å; F164-L207 HydrophobicContact CE2-CD2 4.14Å; F164-L207 HydrophobicContact CZ-CD2 3.58Å; L169-L207 HydrophobicContact CD1-CB 4.43Å; I172-L207 HydrophobicContact CD1-CD2 4.23Å; L173-L207 HydrophobicContact CD2-CD1 4.03Å; I176-L207 HydrophobicContact CD1-CD1 4.29Å; L193-L207 HydrophobicContact CD1-CD1 3.91Å; L193-L207 HydrophobicContact CD1-CD2 4.09Å; L193-L207 HydrophobicContact CD1-CG 4.14Å; L203-L207 WeakPolarHBondContact O-CB 3.42Å; L203-L207 PolarHBondContact O-N 3.4Å; E205-L207 VanDerWaalsContact C-N 3.32Å; E205-L207 PolarHBondContact O-N 2.61Å; L207-F210 PolarHBondContact O-N 3.39Å; L207-V211 WeakPolarHBondContact O-CB 3.4Å; L207-V211 VanDerWaalsContact O-CG2 3.29Å; L207-V211 WeakPolarHBondContact O-CG2 3.35Å; L207-V211 PolarHBondContact O-N 3.23Å
208	Q	96.1	Very high	95	Very high	55 Å²	55	70.2 Å²	70.2	26%	0.257	35%	0.35	S	S	.	.	H	α-helix	trans	-62.7	-43.9	175.1	-176	65.4	55.7	0	0	111.3	K204 E205 V211 L212	K204-Q208 VanDerWaalsContact O-CB 3.23Å; K204-Q208 WeakPolarHBondContact O-CB 3.4Å; K204-Q208 PolarHBondContact O-N 2.78Å; E205-Q208 WeakPolarHBondContact O-CA 3.42Å; E205-Q208 WeakPolarHBondContact O-CB 3.39Å; E205-Q208 PolarHBondContact O-N 3.16Å; Q208-V211 PolarHBondContact O-N 2.93Å; Q208-L212 HydrophobicContact CG-CD1 4.24Å; Q208-L212 VanDerWaalsContact O-CG 3.31Å; Q208-L212 WeakPolarHBondContact O-CG 3.35Å; Q208-L212 PolarHBondContact O-N 2.87Å
209	D	96.7	Very high	95.1	Very high	102 Å²	102	75.7 Å²	75.7	55%	0.545	39%	0.385	S	S	.	.	H	α-helix	trans	-60.1	-48.8	177.1	-70.6	-18.6	0	0	0	111.5	E205 K206 V211 L212 E213	E205-D209 PolarHBondContact O-N 3.12Å; K206-D209 PolarHBondContact O-N 2.89Å; D209-V211 VanDerWaalsContact C-N 3.28Å; D209-V211 PolarHBondContact O-N 3.19Å; D209-L212 PolarHBondContact O-N 2.9Å; D209-E213 PolarHBondContact O-N 2.96Å
210	F	96.5	Very high	95.1	Very high	30 Å²	30	72.4 Å²	72.4	13%	0.132	38%	0.378	C	S	.	.	H	α-helix	trans	-57.3	-41.5	175.6	172.7	-95.2	0	0	0	112.4	L173 I176 H177 K206 L207 T214 I222	L173-F210 HydrophobicContact CD2-CB 4.16Å; L173-F210 HydrophobicContact CD2-CD1 3.63Å; L173-F210 HydrophobicContact CD2-CD2 3.93Å; L173-F210 HydrophobicContact CD2-CE1 3.97Å; L173-F210 HydrophobicContact CD2-CE2 4.24Å; L173-F210 HydrophobicContact CD2-CG 3.61Å; L173-F210 HydrophobicContact CD2-CZ 4.26Å; I176-F210 HydrophobicContact CD1-CE1 4.19Å; I176-F210 HydrophobicContact CG2-CE1 3.84Å; I176-F210 HydrophobicContact CG2-CZ 3.99Å; H177-F210 AromaticContact NE2-CE2 3.6Å; K206-F210 PolarHBondContact O-N 2.03Å; K206-F210 VanDerWaalsContact O-N 3.1Å; L207-F210 PolarHBondContact O-N 3.39Å; F210-T214 WeakPolarHBondContact O-CB 3.49Å; F210-T214 PolarHBondContact O-N 2.83Å; F210-T214 PolarHBondContact O-OG1 3.42Å; F210-I222 HydrophobicContact CE1-CD1 3.77Å
211	V	97.1	Very high	95.4	Very high	5 Å²	5	70.9 Å²	70.9	3%	0.03	37%	0.37	C	S	.	.	H	α-helix	trans	-67.5	-41	178	166.6	0	0	0	0	111.7	L193 L207 Q208 D209 N215 I222 I224	L193-V211 HydrophobicContact CD1-CG2 4.04Å; L207-V211 WeakPolarHBondContact O-CB 3.4Å; L207-V211 VanDerWaalsContact O-CG2 3.29Å; L207-V211 WeakPolarHBondContact O-CG2 3.35Å; L207-V211 PolarHBondContact O-N 3.23Å; Q208-V211 PolarHBondContact O-N 2.93Å; D209-V211 VanDerWaalsContact C-N 3.28Å; D209-V211 PolarHBondContact O-N 3.19Å; V211-N215 WeakPolarHBondContact CG1-ND2 3.44Å; V211-N215 VanDerWaalsContact O-CB 3.23Å; V211-N215 WeakPolarHBondContact O-CB 3.46Å; V211-N215 VanDerWaalsContact O-CG 3.31Å; V211-N215 PolarHBondContact O-N 3.17Å; V211-N215 PolarHBondContact O-ND2 3.48Å; V211-I222 HydrophobicContact CG1-CB 4.19Å; V211-I222 HydrophobicContact CG1-CG2 4.28Å; V211-I222 HydrophobicContact CG2-CB 4.17Å; V211-I222 HydrophobicContact CG2-CG2 3.64Å; V211-I224 HydrophobicContact CB-CD1 4.09Å; V211-I224 HydrophobicContact CG1-CD1 4.08Å; V211-I224 HydrophobicContact CG1-CG1 4.36Å; V211-I224 HydrophobicContact CG2-CD1 3.88Å; V211-I224 HydrophobicContact CG2-CG1 4.17Å
212	L	97.1	Very high	95.7	Very high	102 Å²	102	66 Å²	66	53%	0.534	34%	0.343	S	S	.	.	H	α-helix	trans	-63.4	-45.8	175.9	-71.5	172.2	0	0	0	111.2	Q208 D209 N215 S216	Q208-L212 HydrophobicContact CG-CD1 4.24Å; Q208-L212 VanDerWaalsContact O-CG 3.31Å; Q208-L212 WeakPolarHBondContact O-CG 3.35Å; Q208-L212 PolarHBondContact O-N 2.87Å; D209-L212 PolarHBondContact O-N 2.9Å; L212-N215 PolarHBondContact O-N 3.16Å; L212-S216 PolarHBondContact O-N 3.04Å
213	E	96.4	Very high	96.1	Very high	123 Å²	123	63.9 Å²	63.9	58%	0.575	33%	0.333	S	S	*	.	H	α-helix	trans	-59.6	-50.1	176.6	-175	-178.8	179.7	0	0	110.9	D209 N215 S216	D209-E213 PolarHBondContact O-N 2.96Å; E213-N215 VanDerWaalsContact C-N 3.34Å; E213-N215 PolarHBondContact O-N 2.87Å; E213-S216 WeakPolarHBondContact O-CB 3.27Å; E213-S216 PolarHBondContact O-N 3.3Å; E213-S216 PolarHBondContact O-OG 2.99Å
214	T	95.7	Very high	96.3	Very high	24 Å²	24	65.8 Å²	65.8	15%	0.147	34%	0.342	C	S	.	.	H	α-helix	trans	-62	-42.9	179.8	-57.7	0	0	0	0	111.6	F210 S216 Q217 R218 F221 I222	F210-T214 WeakPolarHBondContact O-CB 3.49Å; F210-T214 PolarHBondContact O-N 2.83Å; F210-T214 PolarHBondContact O-OG1 3.42Å; T214-S216 VanDerWaalsContact C-N 3.29Å; T214-S216 PolarHBondContact O-N 3.28Å; T214-Q217 PolarHBondContact O-N 2.99Å; T214-R218 PolarHBondContact O-N 2.79Å; T214-F221 HydrophobicContact CG2-CD1 3.9Å; T214-I222 HydrophobicContact CG2-CD1 3.75Å; T214-I222 HydrophobicContact CG2-CG1 4.07Å
215	N	97.3	Very high	96.6	Very high	35 Å²	35	64.8 Å²	64.8	19%	0.187	34%	0.341	C	S	.	.	H	α-helix	trans	-72.3	-21.5	179.9	-76.8	-23.9	0	0	0	113.4	V211 L212 E213 Q217 R218 P219 F221 I222	V211-N215 WeakPolarHBondContact CG1-ND2 3.44Å; V211-N215 VanDerWaalsContact O-CB 3.23Å; V211-N215 WeakPolarHBondContact O-CB 3.46Å; V211-N215 VanDerWaalsContact O-CG 3.31Å; V211-N215 PolarHBondContact O-N 3.17Å; V211-N215 PolarHBondContact O-ND2 3.48Å; L212-N215 PolarHBondContact O-N 3.16Å; E213-N215 VanDerWaalsContact C-N 3.34Å; E213-N215 PolarHBondContact O-N 2.87Å; N215-Q217 PolarHBondContact O-N 3.47Å; N215-R218 WeakPolarHBondContact CA-O 3.45Å; N215-R218 CarbonylContact O-C 3.5Å; N215-R218 VanDerWaalsContact O-C 3.29Å; N215-R218 PolarHBondContact OD1-O 3.12Å; N215-P219 VanDerWaalsContact O-CA 3.23Å; N215-P219 WeakPolarHBondContact O-CA 3.46Å; N215-P219 VanDerWaalsContact O-N 3.15Å; N215-F221 PolarHBondContact OD1-N 3.26Å; N215-I222 PolarHBondContact ND2-O 3.47Å; N215-I222 PolarHBondContact OD1-N 2.96Å
216	S	97	Very high	96.6	Very high	92 Å²	92	64.4 Å²	64.4	64%	0.643	33%	0.334	S	S	*	.	H	α-helix	trans	-62.9	-32.5	170.6	79.3	0	0	0	0	111.8	L212 E213 T214	L212-S216 PolarHBondContact O-N 3.04Å; E213-S216 WeakPolarHBondContact O-CB 3.27Å; E213-S216 PolarHBondContact O-N 3.3Å; E213-S216 PolarHBondContact O-OG 2.99Å; T214-S216 VanDerWaalsContact C-N 3.29Å; T214-S216 PolarHBondContact O-N 3.28Å
217	Q	94.9	Very high	96.7	Very high	154 Å²	154	61 Å²	61	72%	0.72	32%	0.319	S	S	*	.	H	α-helix	trans	-87.7	-37.3	177.6	-57.9	179.5	15.1	0	0	112.1	T214 N215	T214-Q217 PolarHBondContact O-N 2.99Å; N215-Q217 PolarHBondContact O-N 3.47Å
218	R	94.9	Very high	96.7	Very high	88 Å²	88	67.3 Å²	67.3	33%	0.332	36%	0.358	S	S	.	.	S	Bend	trans	-133.2	88.7	179.3	-164.6	-178.8	162.4	174.4	-2.7	110.2	L188 K189 T214 N215 G220 F221	L188-R218 PolarHBondContact O-NH2 2.9Å; K189-R218 PolarHBondContact O-NH2 2.04Å; T214-R218 PolarHBondContact O-N 2.79Å; N215-R218 WeakPolarHBondContact CA-O 3.45Å; N215-R218 CarbonylContact O-C 3.5Å; N215-R218 VanDerWaalsContact O-C 3.29Å; N215-R218 PolarHBondContact OD1-O 3.12Å; R218-G220 PolarHBondContact O-N 2.75Å; R218-F221 HydrophobicContact CB-CB 3.81Å; R218-F221 HydrophobicContact CB-CG 4.28Å; R218-F221 VanDerWaalsContact CD-CG 3.42Å; R218-F221 HydrophobicContact CG-CB 3.7Å; R218-F221 HydrophobicContact CG-CD2 4.43Å; R218-F221 HydrophobicContact CG-CG 4.03Å; R218-F221 WeakPolarHBondContact O-CB 3.33Å; R218-F221 PolarHBondContact O-N 2.74Å; R218-F221 VanDerWaalsContact O-N 3.09Å
219	P	95.9	Very high	96.6	Very high	116 Å²	116	72 Å²	72	75%	0.753	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	127.8	-173.7	-30.6	36.5	0	0	0	114	N215 F221	N215-P219 VanDerWaalsContact O-CA 3.23Å; N215-P219 WeakPolarHBondContact O-CA 3.46Å; N215-P219 VanDerWaalsContact O-N 3.15Å; P219-F221 PolarHBondContact O-N 2.82Å
220	G	94	Very high	96.4	Very high	45 Å²	45	71.7 Å²	71.7	46%	0.464	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	16.1	178.2	0	0	0	0	0	114.9	R218	R218-G220 PolarHBondContact O-N 2.75Å
221	F	98	Very high	96.3	Very high	8 Å²	8	72 Å²	72	4%	0.035	37%	0.371	C	S	.	.	S	Bend	trans	-70.9	-43	-178.7	179.5	-128.5	0	0	0	113.3	I180 L188 E190 I191 T214 N215 R218 P219	I180-F221 HydrophobicContact CD1-CE1 3.91Å; I180-F221 HydrophobicContact CG1-CE1 3.96Å; I180-F221 HydrophobicContact CG1-CZ 4.2Å; L188-F221 HydrophobicContact CD2-CE2 4.25Å; L188-F221 HydrophobicContact CD2-CZ 3.71Å; L188-F221 HydrophobicContact CG-CE2 3.96Å; L188-F221 HydrophobicContact CG-CZ 3.96Å; E190-F221 CarbonylContact C-O 3.55Å; E190-F221 VanDerWaalsContact CA-O 3.27Å; E190-F221 WeakPolarHBondContact CA-O 3.45Å; E190-F221 WeakPolarHBondContact CB-O 3.08Å; I191-F221 HydrophobicContact CD1-CE1 4.33Å; I191-F221 HydrophobicContact CD1-CZ 4.2Å; I191-F221 HydrophobicContact CG1-CZ 4.26Å; I191-F221 PolarHBondContact N-O 3.21Å; T214-F221 HydrophobicContact CG2-CD1 3.9Å; N215-F221 PolarHBondContact OD1-N 3.26Å; R218-F221 HydrophobicContact CB-CB 3.81Å; R218-F221 HydrophobicContact CB-CG 4.28Å; R218-F221 VanDerWaalsContact CD-CG 3.42Å; R218-F221 HydrophobicContact CG-CB 3.7Å; R218-F221 HydrophobicContact CG-CD2 4.43Å; R218-F221 HydrophobicContact CG-CG 4.03Å; R218-F221 WeakPolarHBondContact O-CB 3.33Å; R218-F221 PolarHBondContact O-N 2.74Å; R218-F221 VanDerWaalsContact O-N 3.09Å; P219-F221 PolarHBondContact O-N 2.82Å
222	I	98.4	Very high	96.1	Very high	2 Å²	2	71.9 Å²	71.9	1%	0.01	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.4	173.5	-50.7	-173.8	0	0	0	109.2	I176 I191 L193 F210 V211 T214 N215	I176-I222 HydrophobicContact CG2-CD1 4.09Å; I191-I222 HydrophobicContact CB-CG1 4.29Å; I191-I222 CarbonylContact O-C 3.44Å; I191-I222 VanDerWaalsContact O-CA 3.29Å; I191-I222 WeakPolarHBondContact O-CA 3.32Å; L193-I222 HydrophobicContact CD1-CG2 3.81Å; L193-I222 HydrophobicContact CG-CG2 3.89Å; F210-I222 HydrophobicContact CE1-CD1 3.77Å; V211-I222 HydrophobicContact CG1-CB 4.19Å; V211-I222 HydrophobicContact CG1-CG2 4.28Å; V211-I222 HydrophobicContact CG2-CB 4.17Å; V211-I222 HydrophobicContact CG2-CG2 3.64Å; T214-I222 HydrophobicContact CG2-CD1 3.75Å; T214-I222 HydrophobicContact CG2-CG1 4.07Å; N215-I222 PolarHBondContact ND2-O 3.47Å; N215-I222 PolarHBondContact OD1-N 2.96Å
223	K	98.1	Very high	95.9	Very high	68 Å²	68	68.3 Å²	68.3	30%	0.296	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	140	176.1	-64.2	172.3	176.3	171.3	0	109.5	E190 I191 I192 L193	E190-K223 WeakPolarHBondContact OE2-CE 3.49Å; E190-K223 IonicContact OE2-NZ 3.81Å; E190-K223 PolarHBondContact OE2-NZ 2.96Å; I191-K223 PolarHBondContact O-N 3.38Å; I192-K223 CarbonylContact C-O 3.5Å; I192-K223 WeakPolarHBondContact CA-O 3.19Å; I192-K223 HydrophobicContact CG1-CB 4.39Å; I192-K223 HydrophobicContact CG1-CD 4.47Å; L193-K223 PolarHBondContact N-O 3.45Å
224	I	97.9	Very high	95.8	Very high	43 Å²	43	62.6 Å²	62.6	22%	0.221	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.9	171.9	-59.6	168.5	0	0	0	108.4	L193 V211 R226	L193-I224 HydrophobicContact CB-CG1 4.33Å; L193-I224 HydrophobicContact CD1-CG1 4.37Å; L193-I224 CarbonylContact O-C 3.48Å; L193-I224 WeakPolarHBondContact O-CA 3.41Å; V211-I224 HydrophobicContact CB-CD1 4.09Å; V211-I224 HydrophobicContact CG1-CD1 4.08Å; V211-I224 HydrophobicContact CG1-CG1 4.36Å; V211-I224 HydrophobicContact CG2-CD1 3.88Å; V211-I224 HydrophobicContact CG2-CG1 4.17Å; I224-R226 HydrophobicContact CG2-CG 3.77Å
225	V	98.1	Very high	95.8	Very high	36 Å²	36	64.4 Å²	64.4	22%	0.218	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122.8	169.4	179.6	0	0	0	0	107.2	I192 L193 V194 D195 A243	I192-V225 HydrophobicContact CG2-CG2 4.11Å; L193-V225 PolarHBondContact O-N 3.14Å; V194-V225 WeakPolarHBondContact CA-O 3.08Å; V194-V225 HydrophobicContact CG1-CB 4.48Å; V194-V225 HydrophobicContact CG1-CG1 4.49Å; V194-V225 HydrophobicContact CG2-CB 4.36Å; D195-V225 PolarHBondContact N-O 2.87Å; V225-A243 HydrophobicContact CG2-CB 3.77Å
226	R	97.4	Very high	95.8	Very high	124 Å²	124	62.7 Å²	62.7	47%	0.468	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.7	179.5	-61.9	-170.3	173.1	112.3	2.2	110.3	D195 I224	D195-R226 HydrophobicContact CB-CG 4.2Å; I224-R226 HydrophobicContact CG2-CG 3.77Å
227	H	97.4	Very high	95.8	Very high	26 Å²	26	58.4 Å²	58.4	12%	0.12	29%	0.29	C	S	.	.			trans	-81.1	148.6	169.3	-64.6	167.2	0	0	0	111.2	D195 D196 R229 E231 S236 S239	D195-H227 PolarHBondContact O-N 2.79Å; D196-H227 IonicContact OD1-CE1 3.35Å; D196-H227 IonicContact OD1-CG 3.86Å; D196-H227 IonicContact OD1-ND1 2.78Å; D196-H227 PolarHBondContact OD1-ND1 2.97Å; H227-R229 VanDerWaalsContact C-N 3.32Å; H227-R229 WeakPolarHBondContact CB-O 3.05Å; H227-E231 HydrophobicContact CB-CG 4.4Å; H227-S236 PolarHBondContact CE1-OG 2.87Å; H227-S239 WeakPolarHBondContact NE2-CB 3.43Å; H227-S239 PolarHBondContact NE2-OG 3.31Å
228	T	95.9	Very high	96	Very high	136 Å²	136	51.1 Å²	51.1	83%	0.834	26%	0.256	S	S	*	.	S	Bend	trans	-82.9	-12.1	177.1	55.2	0	0	0	0	113.2
229	R	94.6	Very high	96.1	Very high	153 Å²	153	48 Å²	48	58%	0.577	25%	0.247	S	C	*	.	S	Bend	trans	-152.2	164.2	175.3	64.6	-179.9	-178.8	170.8	6	108.3	H227 E231	H227-R229 VanDerWaalsContact C-N 3.32Å; H227-R229 WeakPolarHBondContact CB-O 3.05Å; R229-E231 HydrophobicContact CG-CG 4.41Å; R229-E231 IonicContact CZ-OE1 3.66Å; R229-E231 IonicContact NE-OE1 3.71Å; R229-E231 PolarHBondContact NE-OE1 3.35Å; R229-E231 IonicContact NH2-OE1 3.35Å; R229-E231 PolarHBondContact NH2-OE1 2.96Å; R229-E231 IonicContact NH2-OE2 3.35Å; R229-E231 PolarHBondContact O-N 2.85Å
230	Q	92	Very high	96.3	Very high	96 Å²	96	42.4 Å²	42.4	45%	0.449	21%	0.211	S	C	.	.			trans	-70.3	117	175.8	-167.8	175.4	-5.8	0	0	109.5	D196 N197	D196-Q230 WeakPolarHBondContact OD2-CG 3.11Å; N197-Q230 HydrophobicContact CB-CB 4.5Å
231	E	93.8	Very high	96.5	Very high	36 Å²	36	41.1 Å²	41.1	17%	0.168	19%	0.193	C	C	.	.			trans	-103.7	-16.9	-177.2	-70.8	-69.3	171.7	0	0	112.4	D196 H227 R229 R235	D196-E231 PolarHBondContact OD1-N 2.97Å; H227-E231 HydrophobicContact CB-CG 4.4Å; R229-E231 HydrophobicContact CG-CG 4.41Å; R229-E231 IonicContact CZ-OE1 3.66Å; R229-E231 IonicContact NE-OE1 3.71Å; R229-E231 PolarHBondContact NE-OE1 3.35Å; R229-E231 IonicContact NH2-OE1 3.35Å; R229-E231 PolarHBondContact NH2-OE1 2.96Å; R229-E231 IonicContact NH2-OE2 3.35Å; R229-E231 PolarHBondContact O-N 2.85Å; E231-R235 HydrophobicContact CB-CB 3.86Å; E231-R235 WeakPolarHBondContact OE2-CD 3.42Å; E231-R235 IonicContact OE2-CZ 2.72Å; E231-R235 IonicContact OE2-NE 3.64Å; E231-R235 IonicContact OE2-NH1 3.64Å; E231-R235 PolarHBondContact OE2-NH1 3.17Å
232	G	92.7	Very high	96.5	Very high	3 Å²	3	47 Å²	47	3%	0.031	22%	0.215	C	C	.	.			trans	91.9	170.6	-179	0	0	0	0	0	113.8	D196 I234 S236	D196-G232 PolarHBondContact OD1-N 3.35Å; D196-G232 WeakPolarHBondContact OD2-CA 3.13Å; D196-G232 PolarHBondContact OD2-N 3.42Å; G232-I234 VanDerWaalsContact C-N 3.34Å; G232-I234 PolarHBondContact O-N 2.89Å; G232-S236 VanDerWaalsContact O-CB 3.25Å; G232-S236 WeakPolarHBondContact O-CB 3.37Å; G232-S236 PolarHBondContact O-N 3.41Å; G232-S236 PolarHBondContact O-OG 2.93Å
233	L	92.7	Very high	96.5	Very high	27 Å²	27	48.2 Å²	48.2	14%	0.141	23%	0.225	C	C	.	.	H	α-helix	trans	-58.1	-44.7	-176.5	178.5	65.4	0	0	0	112	I163 S236 R237 V355 Y356	I163-L233 HydrophobicContact CB-CD1 4.49Å; I163-L233 HydrophobicContact CD1-CD1 4.24Å; I163-L233 HydrophobicContact CG2-CD1 4.18Å; L233-S236 PolarHBondContact O-N 2.81Å; L233-R237 HydrophobicContact CD1-CG 4.47Å; L233-R237 WeakPolarHBondContact O-CG 3.27Å; L233-R237 PolarHBondContact O-N 3.36Å; L233-V355 WeakPolarHBondContact CB-O 3.3Å; L233-V355 PolarHBondContact N-O 2.8Å; L233-Y356 HydrophobicContact CD2-CD2 3.61Å; L233-Y356 HydrophobicContact CD2-CE2 3.92Å
234	I	94.6	Very high	96.5	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-60.3	-56.1	-174.8	-62.1	104.2	0	0	0	111.1	G232 S236 R237 V238 L349 D350 M353 E359	G232-I234 VanDerWaalsContact C-N 3.34Å; G232-I234 PolarHBondContact O-N 2.89Å; I234-S236 VanDerWaalsContact C-N 3.29Å; I234-S236 PolarHBondContact O-N 3.44Å; I234-R237 WeakPolarHBondContact O-CB 3.49Å; I234-R237 PolarHBondContact O-N 3.2Å; I234-V238 WeakPolarHBondContact O-CG2 3.39Å; I234-V238 PolarHBondContact O-N 3.33Å; I234-L349 HydrophobicContact CG2-CB 3.58Å; I234-L349 HydrophobicContact CG2-CD1 4.07Å; I234-L349 HydrophobicContact CG2-CG 4.47Å; I234-D350 WeakPolarHBondContact CG2-O 3.28Å; I234-M353 HydrophobicContact CD1-CB 3.86Å; I234-M353 HydrophobicContact CG1-CB 4.1Å; I234-E359 HydrophobicContact CD1-CB 4.43Å; I234-E359 HydrophobicContact CG1-CB 3.58Å; I234-E359 HydrophobicContact CG1-CG 3.84Å
235	R	96.5	Very high	96.5	Very high	62 Å²	62	46.9 Å²	46.9	23%	0.234	23%	0.225	C	C	.	.	H	α-helix	trans	-67.2	-34	-178.5	-68.2	179.9	-167.1	139.9	14.4	111.4	E231 V238 S239 E351 M353	E231-R235 HydrophobicContact CB-CB 3.86Å; E231-R235 WeakPolarHBondContact OE2-CD 3.42Å; E231-R235 IonicContact OE2-CZ 2.72Å; E231-R235 IonicContact OE2-NE 3.64Å; E231-R235 IonicContact OE2-NH1 3.64Å; E231-R235 PolarHBondContact OE2-NH1 3.17Å; R235-V238 PolarHBondContact O-N 2.8Å; R235-S239 PolarHBondContact O-N 3.42Å; R235-S239 PolarHBondContact O-OG 2.95Å; R235-E351 HydrophobicContact CG-CB 4.22Å; R235-E351 HydrophobicContact CG-CG 4.29Å; R235-E351 PolarHBondContact NE-O 2.9Å; R235-E351 PolarHBondContact NH2-O 2.77Å; R235-E351 VanDerWaalsContact NH2-O 3.11Å; R235-M353 PolarHBondContact NH2-O 3.44Å
236	S	97.3	Very high	96.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-40.2	173.9	-60.9	0	0	0	0	113.1	D196 H227 G232 L233 I234 V238 S239 G240	D196-S236 WeakPolarHBondContact CB-OG 3.47Å; D196-S236 VanDerWaalsContact CG-OG 3.31Å; D196-S236 PolarHBondContact OD1-OG 3.24Å; H227-S236 PolarHBondContact CE1-OG 2.87Å; G232-S236 VanDerWaalsContact O-CB 3.25Å; G232-S236 WeakPolarHBondContact O-CB 3.37Å; G232-S236 PolarHBondContact O-N 3.41Å; G232-S236 PolarHBondContact O-OG 2.93Å; L233-S236 PolarHBondContact O-N 2.81Å; I234-S236 VanDerWaalsContact C-N 3.29Å; I234-S236 PolarHBondContact O-N 3.44Å; S236-V238 VanDerWaalsContact C-N 3.3Å; S236-V238 PolarHBondContact O-N 2.74Å; S236-S239 PolarHBondContact O-N 2.85Å; S236-G240 PolarHBondContact O-N 2.89Å
237	R	97.5	Very high	96.6	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-58.3	-44.1	170.8	-76.8	-177.5	176.8	158.1	2.7	111.4	I163 L233 I234 G240 W241 L251 D253 G334 L349 E359	I163-R237 HydrophobicContact CD1-CB 3.89Å; I163-R237 HydrophobicContact CD1-CG 3.11Å; L233-R237 HydrophobicContact CD1-CG 4.47Å; L233-R237 WeakPolarHBondContact O-CG 3.27Å; L233-R237 PolarHBondContact O-N 3.36Å; I234-R237 WeakPolarHBondContact O-CB 3.49Å; I234-R237 PolarHBondContact O-N 3.2Å; R237-G240 PolarHBondContact O-N 3.45Å; R237-W241 WeakPolarHBondContact O-CB 3.24Å; R237-W241 PolarHBondContact O-N 2.81Å; R237-L251 HydrophobicContact CB-CD2 4.01Å; R237-L251 HydrophobicContact CG-CD2 4.2Å; R237-L251 WeakPolarHBondContact O-CD2 3.32Å; R237-D253 IonicContact NH2-OD1 2.82Å; R237-G334 PolarHBondContact NH1-O 2.9Å; R237-G334 PolarHBondContact NH2-O 3.03Å; R237-L349 HydrophobicContact CB-CD1 3.82Å; R237-L349 HydrophobicContact CG-CD1 4.29Å; R237-E359 IonicContact CZ-OE1 3.26Å; R237-E359 IonicContact NH1-OE1 3.72Å; R237-E359 PolarHBondContact NH1-OE1 3.35Å
238	V	97.9	Very high	96.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.5	-43.4	179.3	-177.6	0	0	0	0	111.6	I234 R235 S236 G240 W241 R242 L348 L349 E351	I234-V238 WeakPolarHBondContact O-CG2 3.39Å; I234-V238 PolarHBondContact O-N 3.33Å; R235-V238 PolarHBondContact O-N 2.8Å; S236-V238 VanDerWaalsContact C-N 3.3Å; S236-V238 PolarHBondContact O-N 2.74Å; V238-G240 VanDerWaalsContact C-N 3.34Å; V238-G240 PolarHBondContact O-N 3.49Å; V238-W241 PolarHBondContact O-N 3.27Å; V238-R242 WeakPolarHBondContact O-CG 3.39Å; V238-R242 PolarHBondContact O-N 3.37Å; V238-L348 HydrophobicContact CG1-CD1 3.76Å; V238-L348 HydrophobicContact CG2-CB 4.26Å; V238-L349 HydrophobicContact CG2-CB 4.14Å; V238-E351 HydrophobicContact CB-CG 4.34Å; V238-E351 HydrophobicContact CG1-CG 4.38Å; V238-E351 HydrophobicContact CG2-CG 3.98Å
239	S	98.3	Very high	96.8	Very high	22 Å²	22	34.7 Å²	34.7	15%	0.154	17%	0.168	C	C	.	.	H	α-helix	trans	-59.1	-43	174.3	-67.7	0	0	0	0	112.5	H227 R235 S236 R242 A243	H227-S239 WeakPolarHBondContact NE2-CB 3.43Å; H227-S239 PolarHBondContact NE2-OG 3.31Å; R235-S239 PolarHBondContact O-N 3.42Å; R235-S239 PolarHBondContact O-OG 2.95Å; S236-S239 PolarHBondContact O-N 2.85Å; S239-R242 PolarHBondContact O-N 3.37Å; S239-A243 PolarHBondContact O-N 3.37Å
240	G	98.4	Very high	97	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.5	-40.7	175.4	0	0	0	0	0	112.9	V194 S236 R237 V238 A243 A244	V194-G240 VanDerWaalsContact CG2-CA 3.5Å; S236-G240 PolarHBondContact O-N 2.89Å; R237-G240 PolarHBondContact O-N 3.45Å; V238-G240 VanDerWaalsContact C-N 3.34Å; V238-G240 PolarHBondContact O-N 3.49Å; G240-A243 PolarHBondContact O-N 3.07Å; G240-A244 PolarHBondContact O-N 2.96Å
241	W	98.4	Very high	97.3	Very high	18 Å²	18	22.9 Å²	22.9	7%	0.068	12%	0.119	C	C	.	.	H	α-helix	trans	-61.6	-42.1	172.2	173.6	92.4	0	0	0	112.2	R237 V238 A243 A244 R340 F343 E344 L348	R237-W241 WeakPolarHBondContact O-CB 3.24Å; R237-W241 PolarHBondContact O-N 2.81Å; V238-W241 PolarHBondContact O-N 3.27Å; W241-A243 PolarHBondContact O-N 2.94Å; W241-A244 WeakPolarHBondContact O-CB 3.49Å; W241-A244 PolarHBondContact O-N 3.45Å; W241-R340 HydrophobicContact CZ2-CG 4.09Å; W241-R340 WeakPolarHBondContact CZ2-O 3.12Å; W241-R340 VanDerWaalsContact NE1-CG 3.29Å; W241-R340 PolarHBondContact NE1-O 3.09Å; W241-F343 AromaticContact CD1-CD1 3.53Å; W241-F343 AromaticContact CG-CD1 3.97Å; W241-F343 HydrophobicContact CG-CD1 3.97Å; W241-F343 HydrophobicContact CG-CE1 4.4Å; W241-F343 AromaticContact NE1-CD1 3.81Å; W241-E344 HydrophobicContact CH2-CB 3.8Å; W241-E344 HydrophobicContact CH2-CG 3.89Å; W241-E344 HydrophobicContact CZ2-CB 3.59Å; W241-E344 HydrophobicContact CZ2-CG 4.21Å; W241-L348 HydrophobicContact CD2-CD2 3.64Å; W241-L348 HydrophobicContact CE3-CD1 3.89Å; W241-L348 HydrophobicContact CE3-CD2 3.79Å; W241-L348 HydrophobicContact CG-CD2 4.21Å; W241-L348 HydrophobicContact CH2-CD2 4.23Å; W241-L348 HydrophobicContact CZ2-CD2 4.07Å; W241-L348 HydrophobicContact CZ3-CD1 3.85Å; W241-L348 HydrophobicContact CZ3-CD2 4.08Å
242	R	98.4	Very high	97.5	Very high	132 Å²	132	21.1 Å²	21.1	50%	0.498	11%	0.111	S	C	.	.	H	α-helix	trans	-60.1	-32.6	177.3	-72.9	173.3	179.6	126.6	3.1	112.3	V238 S239 E351	V238-R242 WeakPolarHBondContact O-CG 3.39Å; V238-R242 PolarHBondContact O-N 3.37Å; S239-R242 PolarHBondContact O-N 3.37Å; R242-E351 IonicContact CZ-OE1 3.62Å; R242-E351 IonicContact CZ-OE2 3.97Å; R242-E351 IonicContact NH1-OE1 3.35Å; R242-E351 PolarHBondContact NH1-OE1 3.03Å; R242-E351 IonicContact NH2-OE1 2.73Å; R242-E351 PolarHBondContact NH2-OE1 3.14Å; R242-E351 IonicContact NH2-OE2 3.84Å; R242-E351 PolarHBondContact NH2-OE2 2.62Å
243	A	98.5	Very high	97.6	Very high	27 Å²	27	22.2 Å²	22.2	22%	0.223	12%	0.116	C	C	.	.	H	α-helix	trans	-81.9	-13.9	177.7	0	0	0	0	0	113.9	I192 V225 S239 G240 W241	I192-A243 HydrophobicContact CD1-CB 4.14Å; I192-A243 HydrophobicContact CG2-CB 4.1Å; V225-A243 HydrophobicContact CG2-CB 3.77Å; S239-A243 PolarHBondContact O-N 3.37Å; G240-A243 PolarHBondContact O-N 3.07Å; W241-A243 PolarHBondContact O-N 2.94Å
244	A	98.6	Very high	97.8	Very high	8 Å²	8	20.9 Å²	20.9	7%	0.066	11%	0.109	C	C	.	.			trans	-79.1	138.9	-176.2	0	0	0	0	0	113.2	I192 G240 W241 V249 R340	I192-A244 VanDerWaalsContact CD1-CA 3.43Å; I192-A244 HydrophobicContact CD1-CB 3.69Å; G240-A244 PolarHBondContact O-N 2.96Å; W241-A244 WeakPolarHBondContact O-CB 3.49Å; W241-A244 PolarHBondContact O-N 3.45Å; A244-V249 HydrophobicContact CB-CG1 4.2Å; A244-V249 HydrophobicContact CB-CG2 3.67Å; A244-R340 WeakPolarHBondContact O-CD 3.32Å
245	T	98.5	Very high	97.9	Very high	74 Å²	74	21.2 Å²	21.2	45%	0.454	11%	0.11	S	C	.	.			trans	-118.1	-17.4	-175.4	65.3	0	0	0	0	113.7	E190	E190-T245 VanDerWaalsContact CD-OG1 3.29Å; E190-T245 WeakPolarHBondContact OE1-CB 3.48Å; E190-T245 PolarHBondContact OE1-N 3.16Å; E190-T245 PolarHBondContact OE1-OG1 3.31Å; E190-T245 PolarHBondContact OE2-OG1 3.17Å
246	A	98.6	Very high	97.9	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.008	10%	0.099	C	C	.	.	S	Bend	trans	-69.8	160.4	177.3	0	0	0	0	0	112.3	Q157 S159 K189 V248 R340	Q157-A246 HydrophobicContact CB-CB 4.38Å; S159-A246 VanDerWaalsContact N-CB 3.33Å; S159-A246 WeakPolarHBondContact OG-CB 3.31Å; S159-A246 PolarHBondContact OG-N 3.32Å; S159-A246 VanDerWaalsContact OG-N 3.1Å; K189-A246 HydrophobicContact CB-CB 3.82Å; K189-A246 HydrophobicContact CG-CB 4.08Å; A246-V248 VanDerWaalsContact C-N 3.25Å; A246-V248 PolarHBondContact O-N 3.37Å; A246-R340 VanDerWaalsContact O-CD 3.28Å; A246-R340 WeakPolarHBondContact O-CD 3.43Å; A246-R340 PolarHBondContact O-NE 2.83Å
247	P	98.6	Very high	98	Very high	65 Å²	65	18.7 Å²	18.7	42%	0.422	10%	0.101	S	C	.	.	S	Bend	trans	-62	-31	173.6	-24.3	34.6	0	0	0	113.8	P156 Q157 R340	P156-P247 HydrophobicContact CB-CB 4.23Å; Q157-P247 WeakPolarHBondContact O-CD 3.14Å; P247-R340 WeakPolarHBondContact O-CB 3.26Å; P247-R340 PolarHBondContact O-N 2.96Å
248	V	98.9	Very high	98	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.3	179.8	179.5	0	0	0	0	109.7	P156 Q157 V158 S159 A246 L267 I270 V337 V338	P156-V248 HydrophobicContact CB-CG2 3.98Å; P156-V248 HydrophobicContact CG-CG2 3.85Å; Q157-V248 PolarHBondContact O-N 3.02Å; V158-V248 WeakPolarHBondContact CA-O 3.46Å; V158-V248 HydrophobicContact CG2-CB 4.47Å; V158-V248 HydrophobicContact CG2-CG1 4.18Å; S159-V248 PolarHBondContact N-O 2.84Å; A246-V248 VanDerWaalsContact C-N 3.25Å; A246-V248 PolarHBondContact O-N 3.37Å; V248-L267 HydrophobicContact CB-CD2 3.88Å; V248-L267 HydrophobicContact CG1-CD2 3.78Å; V248-L267 HydrophobicContact CG2-CD2 3.93Å; V248-I270 HydrophobicContact CG1-CD1 3.82Å; V248-I270 HydrophobicContact CG2-CG2 4.01Å; V248-V337 HydrophobicContact CG1-CG1 3.38Å; V248-V338 WeakPolarHBondContact CG1-O 3.41Å
249	V	98.8	Very high	97.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.8	176.2	-172.8	0	0	0	0	109.3	S159 V161 A244 L251 V337 V338 R340	S159-V249 WeakPolarHBondContact O-CA 3.34Å; V161-V249 HydrophobicContact CG2-CG1 3.69Å; A244-V249 HydrophobicContact CB-CG1 4.2Å; A244-V249 HydrophobicContact CB-CG2 3.67Å; V249-L251 HydrophobicContact CG1-CD2 4.36Å; V249-L251 HydrophobicContact CG1-CG 4.15Å; V249-V337 WeakPolarHBondContact O-CA 3.43Å; V249-V338 PolarHBondContact N-O 3.47Å; V249-V338 PolarHBondContact O-N 2.79Å; V249-R340 HydrophobicContact CG2-CB 3.81Å; V249-R340 HydrophobicContact CG2-CG 3.65Å
250	A	98.6	Very high	97.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	115.2	173.7	0	0	0	0	0	109.3	V158 S159 I160 V161 F252 W262 V337	V158-A250 HydrophobicContact CG2-CB 3.81Å; S159-A250 PolarHBondContact O-N 3.38Å; I160-A250 HydrophobicContact CG1-CB 4.41Å; V161-A250 PolarHBondContact N-O 3.46Å; A250-F252 HydrophobicContact CB-CD2 3.94Å; A250-F252 HydrophobicContact CB-CE2 3.44Å; A250-F252 VanDerWaalsContact CB-CE2 3.44Å; A250-F252 HydrophobicContact CB-CZ 4.22Å; A250-W262 HydrophobicContact CB-CH2 4.33Å; A250-V337 HydrophobicContact CB-CB 4.39Å; A250-V337 HydrophobicContact CB-CG1 4.02Å; A250-V337 HydrophobicContact CB-CG2 3.78Å
251	L	98.4	Very high	97.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	106.7	-175.9	-69.7	156.7	0	0	0	108.7	V161 R237 V249 C335 F336 F343	V161-L251 HydrophobicContact CB-CD2 3.91Å; V161-L251 HydrophobicContact CG1-CD2 3.96Å; V161-L251 HydrophobicContact CG2-CD2 4.15Å; R237-L251 HydrophobicContact CB-CD2 4.01Å; R237-L251 HydrophobicContact CG-CD2 4.2Å; R237-L251 WeakPolarHBondContact O-CD2 3.32Å; V249-L251 HydrophobicContact CG1-CD2 4.36Å; V249-L251 HydrophobicContact CG1-CG 4.15Å; L251-C335 WeakPolarHBondContact O-CA 3.17Å; L251-C335 WeakPolarHBondContact O-CB 3.27Å; L251-F336 HydrophobicContact CB-CE1 4.5Å; L251-F336 HydrophobicContact CB-CZ 4.41Å; L251-F336 HydrophobicContact CD1-CD2 4.38Å; L251-F336 HydrophobicContact CD1-CE1 4.27Å; L251-F336 HydrophobicContact CD1-CE2 3.5Å; L251-F336 HydrophobicContact CD1-CZ 3.43Å; L251-F336 VanDerWaalsContact CD1-CZ 3.43Å; L251-F336 PolarHBondContact N-O 3.39Å; L251-F336 PolarHBondContact O-N 3.24Å; L251-F336 VanDerWaalsContact O-N 3.16Å; L251-F343 HydrophobicContact CD1-CE1 3.95Å; L251-F343 HydrophobicContact CD1-CZ 4.24Å
252	F	97.4	Very high	97.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	153.2	-175.2	-70.4	-66.2	0	0	0	112.9	I160 V161 F162 I163 A250 V256 F258 W262 P280 C335 V337 I382	I160-F252 HydrophobicContact CG2-CD2 4.11Å; V161-F252 PolarHBondContact O-N 3.43Å; F162-F252 WeakPolarHBondContact CA-O 3.44Å; F162-F252 HydrophobicContact CD1-CB 3.85Å; F162-F252 HydrophobicContact CE1-CB 3.82Å; I163-F252 PolarHBondContact N-O 3.11Å; A250-F252 HydrophobicContact CB-CD2 3.94Å; A250-F252 HydrophobicContact CB-CE2 3.44Å; A250-F252 VanDerWaalsContact CB-CE2 3.44Å; A250-F252 HydrophobicContact CB-CZ 4.22Å; F252-V256 HydrophobicContact CB-CG2 4.46Å; F252-F258 AromaticContact CD2-CE1 3.93Å; F252-F258 HydrophobicContact CD2-CE1 3.93Å; F252-F258 AromaticContact CD2-CZ 3.63Å; F252-F258 HydrophobicContact CD2-CZ 3.63Å; F252-F258 AromaticContact CE2-CE1 3.49Å; F252-F258 HydrophobicContact CE2-CE1 3.49Å; F252-F258 VanDerWaalsContact CE2-CE1 3.49Å; F252-F258 AromaticContact CE2-CZ 3.71Å; F252-F258 HydrophobicContact CE2-CZ 3.71Å; F252-F258 HydrophobicContact CG-CZ 4.13Å; F252-F258 AromaticContact CZ-CE1 3.9Å; F252-F258 HydrophobicContact CZ-CE1 3.9Å; F252-F258 HydrophobicContact CZ-CZ 4.38Å; F252-W262 AromaticContact CE2-CH2 3.79Å; F252-W262 HydrophobicContact CE2-CH2 3.79Å; F252-W262 AromaticContact CE2-CZ3 3.81Å; F252-W262 HydrophobicContact CE2-CZ3 3.81Å; F252-W262 HydrophobicContact CZ-CE3 4.46Å; F252-W262 HydrophobicContact CZ-CH2 4.21Å; F252-W262 AromaticContact CZ-CZ3 3.74Å; F252-W262 HydrophobicContact CZ-CZ3 3.74Å; F252-P280 HydrophobicContact CE1-CG 4.06Å; F252-C335 HydrophobicContact CD1-CB 3.22Å; F252-C335 HydrophobicContact CE1-CB 3.59Å; F252-C335 HydrophobicContact CG-CB 4.23Å; F252-V337 HydrophobicContact CZ-CG2 4.05Å; F252-I382 HydrophobicContact CD1-CD1 4.2Å; F252-I382 HydrophobicContact CE1-CD1 3.34Å; F252-I382 HydrophobicContact CE2-CD1 4.23Å; F252-I382 HydrophobicContact CZ-CD1 3.34Å
253	D	94.8	Very high	97.5	Very high	25 Å²	25	14.3 Å²	14.3	13%	0.134	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	155.8	164.1	-61.9	-6.7	0	0	0	109.7	F162 R237 H255 C335 H384	F162-D253 WeakPolarHBondContact CD1-O 3.5Å; R237-D253 IonicContact NH2-OD1 2.82Å; D253-H255 PolarHBondContact O-N 2.9Å; D253-H255 IonicContact OD2-NE2 3.88Å; D253-C335 PolarHBondContact N-SG 3.45Å; D253-H384 IonicContact OD2-CD2 3.12Å; D253-H384 IonicContact OD2-CE1 3.82Å; D253-H384 IonicContact OD2-NE2 2.8Å; D253-H384 PolarHBondContact OD2-NE2 2.81Å
254	A	95.8	Very high	97.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-77.1	0.7	-176.4	0	0	0	0	0	115.4	F162 I163 F164 E167 I172 S175	F162-A254 HydrophobicContact CB-CB 4.5Å; I163-A254 WeakPolarHBondContact O-CB 3.41Å; I163-A254 PolarHBondContact O-N 3.46Å; F164-A254 HydrophobicContact CB-CB 3.71Å; E167-A254 HydrophobicContact CB-CB 4.48Å; E167-A254 HydrophobicContact CG-CB 4.02Å; I172-A254 WeakPolarHBondContact CA-O 3.25Å; I172-A254 HydrophobicContact CB-CB 4.47Å; I172-A254 HydrophobicContact CD1-CB 4.18Å; I172-A254 HydrophobicContact CG1-CB 4.12Å; S175-A254 WeakPolarHBondContact CB-O 3.31Å; S175-A254 PolarHBondContact OG-O 3.41Å
255	H	96.9	Very high	97.4	Very high	8 Å²	8	14.9 Å²	14.9	4%	0.037	9%	0.09	C	C	.	.	S	Bend	trans	-121.5	62.8	-174.3	41.1	-89.5	0	0	0	111.8	E167 V171 D253 H384 I385 R387	E167-H255 IonicContact OE2-CE1 2.74Å; E167-H255 IonicContact OE2-CG 2.75Å; E167-H255 IonicContact OE2-ND1 3.48Å; E167-H255 PolarHBondContact OE2-ND1 2.94Å; V171-H255 HydrophobicContact CG1-CB 3.46Å; V171-H255 VanDerWaalsContact CG1-CB 3.46Å; D253-H255 PolarHBondContact O-N 2.9Å; D253-H255 IonicContact OD2-NE2 3.88Å; H255-H384 AromaticContact CD2-CD2 4Å; H255-H384 AromaticContact CD2-CE1 3.5Å; H255-H384 AromaticContact CD2-NE2 3.35Å; H255-H384 PolarHBondContact CD2-NE2 3.29Å; H255-H384 AromaticContact NE2-CE1 3.53Å; H255-H384 AromaticContact NE2-NE2 3.33Å; H255-H384 PolarHBondContact NE2-NE2 2.81Å; H255-I385 HydrophobicContact CB-CB 4.19Å; H255-I385 HydrophobicContact CB-CD1 3.88Å; H255-I385 HydrophobicContact CB-CG1 4.08Å; H255-I385 PolarHBondContact O-N 2.87Å; H255-I385 VanDerWaalsContact O-N 3.1Å; H255-R387 PolarHBondContact CE1-NH2 3.23Å; H255-R387 VanDerWaalsContact CE1-NH2 3.26Å; H255-R387 PolarHBondContact ND1-NH2 3.06Å; H255-R387 VanDerWaalsContact ND1-NH2 3.13Å
256	V	97.8	Very high	97.4	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.006	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	152.4	-176.6	-63.7	0	0	0	0	112.2	F162 S175 F252 F258 I382 A383 H384	F162-V256 HydrophobicContact CE1-CG2 3.76Å; S175-V256 WeakPolarHBondContact CA-O 3.46Å; S175-V256 WeakPolarHBondContact CB-O 3.42Å; S175-V256 PolarHBondContact OG-N 2.83Å; S175-V256 VanDerWaalsContact OG-N 3.08Å; S175-V256 PolarHBondContact OG-O 3.46Å; F252-V256 HydrophobicContact CB-CG2 4.46Å; V256-F258 HydrophobicContact CG2-CD2 4.46Å; V256-F258 HydrophobicContact CG2-CE2 3.69Å; V256-F258 HydrophobicContact CG2-CZ 4.09Å; V256-I382 HydrophobicContact CB-CG2 3.81Å; V256-I382 HydrophobicContact CG1-CG2 4.2Å; V256-I382 HydrophobicContact CG2-CG2 4.49Å; V256-A383 CarbonylContact C-O 3.26Å; V256-A383 WeakPolarHBondContact CA-O 3.25Å; V256-H384 HydrophobicContact CG1-CB 4.21Å
257	E	98.3	Very high	97.4	Very high	8 Å²	8	11.5 Å²	11.5	4%	0.037	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	121.1	172.1	-68	-179	-128.7	0	0	110.3	R136 I138 R174 I285 A383	R136-E257 IonicContact CZ-OE1 3.55Å; R136-E257 VanDerWaalsContact CZ-OE1 3.29Å; R136-E257 IonicContact CZ-OE2 2.8Å; R136-E257 IonicContact NE-OE1 2.79Å; R136-E257 PolarHBondContact NE-OE1 3.18Å; R136-E257 VanDerWaalsContact NE-OE1 3.12Å; R136-E257 IonicContact NE-OE2 2.92Å; R136-E257 PolarHBondContact NE-OE2 2.96Å; R136-E257 IonicContact NH2-OE1 3.68Å; R136-E257 PolarHBondContact NH2-OE1 2.7Å; R136-E257 IonicContact NH2-OE2 3.49Å; I138-E257 HydrophobicContact CD1-CB 4.41Å; I138-E257 WeakPolarHBondContact CG2-OE2 3.39Å; R174-E257 WeakPolarHBondContact CD-OE1 3.22Å; R174-E257 HydrophobicContact CG-CG 4.12Å; E257-I285 HydrophobicContact CB-CD1 4.17Å; E257-I285 HydrophobicContact CG-CD1 4.01Å; E257-A383 HydrophobicContact CB-CB 4.45Å; E257-A383 PolarHBondContact N-O 2.89Å; E257-A383 PolarHBondContact O-N 2.84Å
258	F	98.1	Very high	97.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	131.6	-173.8	-67.8	-96.6	0	0	0	112.2	I138 I160 F162 S178 A179 R182 F252 V256 W262 I382	I138-F258 WeakPolarHBondContact CD1-O 3.47Å; I160-F258 HydrophobicContact CG2-CZ 4.49Å; F162-F258 AromaticContact CE1-CE2 3.95Å; F162-F258 HydrophobicContact CE1-CE2 3.95Å; F162-F258 HydrophobicContact CE1-CZ 4.07Å; F162-F258 AromaticContact CZ-CE2 3.69Å; F162-F258 HydrophobicContact CZ-CE2 3.69Å; F162-F258 HydrophobicContact CZ-CZ 4Å; S178-F258 PolarHBondContact OG-N 2.75Å; A179-F258 HydrophobicContact CB-CD2 3.84Å; A179-F258 HydrophobicContact CB-CE2 3.73Å; A179-F258 HydrophobicContact CB-CZ 4.32Å; R182-F258 HydrophobicContact CB-CB 4.16Å; R182-F258 WeakPolarHBondContact CG-O 3.35Å; R182-F258 PolarHBondContact NH1-O 3.32Å; R182-F258 VanDerWaalsContact NH1-O 3.14Å; F252-F258 AromaticContact CD2-CE1 3.93Å; F252-F258 HydrophobicContact CD2-CE1 3.93Å; F252-F258 AromaticContact CD2-CZ 3.63Å; F252-F258 HydrophobicContact CD2-CZ 3.63Å; F252-F258 AromaticContact CE2-CE1 3.49Å; F252-F258 HydrophobicContact CE2-CE1 3.49Å; F252-F258 VanDerWaalsContact CE2-CE1 3.49Å; F252-F258 AromaticContact CE2-CZ 3.71Å; F252-F258 HydrophobicContact CE2-CZ 3.71Å; F252-F258 HydrophobicContact CG-CZ 4.13Å; F252-F258 AromaticContact CZ-CE1 3.9Å; F252-F258 HydrophobicContact CZ-CE1 3.9Å; F252-F258 HydrophobicContact CZ-CZ 4.38Å; V256-F258 HydrophobicContact CG2-CD2 4.46Å; V256-F258 HydrophobicContact CG2-CE2 3.69Å; V256-F258 HydrophobicContact CG2-CZ 4.09Å; F258-W262 HydrophobicContact CB-CG 4.41Å; F258-W262 AromaticContact CD1-CD1 3.84Å; F258-W262 AromaticContact CD1-CD2 3.47Å; F258-W262 HydrophobicContact CD1-CD2 3.47Å; F258-W262 VanDerWaalsContact CD1-CD2 3.47Å; F258-W262 AromaticContact CD1-CE2 3.27Å; F258-W262 HydrophobicContact CD1-CE3 4Å; F258-W262 AromaticContact CD1-CG 3.85Å; F258-W262 HydrophobicContact CD1-CG 3.85Å; F258-W262 HydrophobicContact CD1-CH2 4.2Å; F258-W262 AromaticContact CD1-CZ2 3.68Å; F258-W262 HydrophobicContact CD1-CZ2 3.68Å; F258-W262 HydrophobicContact CD1-CZ3 4.34Å; F258-W262 AromaticContact CD1-NE1 3.51Å; F258-W262 AromaticContact CE1-CD2 3.97Å; F258-W262 HydrophobicContact CE1-CD2 3.97Å; F258-W262 AromaticContact CE1-CE2 3.67Å; F258-W262 HydrophobicContact CE1-CE3 4.1Å; F258-W262 AromaticContact CE1-CH2 3.72Å; F258-W262 HydrophobicContact CE1-CH2 3.72Å; F258-W262 AromaticContact CE1-CZ2 3.56Å; F258-W262 HydrophobicContact CE1-CZ2 3.56Å; F258-W262 AromaticContact CE1-CZ3 3.99Å; F258-W262 HydrophobicContact CE1-CZ3 3.99Å; F258-I382 HydrophobicContact CD1-CD1 3.64Å; F258-I382 HydrophobicContact CD1-CG1 4Å; F258-I382 HydrophobicContact CE1-CD1 3.53Å; F258-I382 HydrophobicContact CE1-CG1 4.38Å; F258-I382 HydrophobicContact CZ-CD1 4.43Å
259	N	95.9	Very high	97.4	Very high	4 Å²	4	12.8 Å²	12.8	2%	0.021	7%	0.068	C	C	.	.	P	Polyproline II helix	trans	-81.6	165.2	173.6	-142.6	-26.9	0	0	0	112.2	I138 P139 R381	I138-N259 HydrophobicContact CD1-CB 4.26Å; P139-N259 PolarHBondContact O-ND2 3.45Å; N259-R381 HydrophobicContact CB-CB 4.05Å; N259-R381 WeakPolarHBondContact CB-O 3.43Å; N259-R381 PolarHBondContact N-O 2.84Å; N259-R381 VanDerWaalsContact N-O 3.15Å
260	V	94.9	Very high	97.4	Very high	64 Å²	64	13 Å²	13	39%	0.388	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	134.2	179.4	60	0	0	0	0	110.9	D140 R142 W262	D140-V260 HydrophobicContact CB-CG1 4.32Å; R142-V260 WeakPolarHBondContact CD-O 3.27Å; R142-V260 PolarHBondContact NE-O 3.08Å; R142-V260 PolarHBondContact NH1-O 3.24Å; V260-W262 PolarHBondContact O-N 2.97Å
261	G	94.6	Very high	97.3	Very high	11 Å²	11	17.6 Å²	17.6	11%	0.113	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	30.4	177.1	0	0	0	0	0	114.2	E264 P265	G261-E264 WeakPolarHBondContact CA-OE2 3.46Å; G261-P265 WeakPolarHBondContact O-CD 3.42Å; G261-P265 WeakPolarHBondContact O-CG 3.37Å
262	W	97.3	Very high	97.3	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.008	11%	0.112	C	C	.	.			trans	-74.4	-34.3	-179.8	79.4	-83.9	0	0	0	112.9	I160 T183 A250 F252 F258 V260 I266 V337 A380 I382	I160-W262 HydrophobicContact CD1-CH2 4.24Å; I160-W262 HydrophobicContact CD1-CZ2 3.8Å; T183-W262 PolarHBondContact OG1-NE1 2.79Å; A250-W262 HydrophobicContact CB-CH2 4.33Å; F252-W262 AromaticContact CE2-CH2 3.79Å; F252-W262 HydrophobicContact CE2-CH2 3.79Å; F252-W262 AromaticContact CE2-CZ3 3.81Å; F252-W262 HydrophobicContact CE2-CZ3 3.81Å; F252-W262 HydrophobicContact CZ-CE3 4.46Å; F252-W262 HydrophobicContact CZ-CH2 4.21Å; F252-W262 AromaticContact CZ-CZ3 3.74Å; F252-W262 HydrophobicContact CZ-CZ3 3.74Å; F258-W262 HydrophobicContact CB-CG 4.41Å; F258-W262 AromaticContact CD1-CD1 3.84Å; F258-W262 AromaticContact CD1-CD2 3.47Å; F258-W262 HydrophobicContact CD1-CD2 3.47Å; F258-W262 VanDerWaalsContact CD1-CD2 3.47Å; F258-W262 AromaticContact CD1-CE2 3.27Å; F258-W262 HydrophobicContact CD1-CE3 4Å; F258-W262 AromaticContact CD1-CG 3.85Å; F258-W262 HydrophobicContact CD1-CG 3.85Å; F258-W262 HydrophobicContact CD1-CH2 4.2Å; F258-W262 AromaticContact CD1-CZ2 3.68Å; F258-W262 HydrophobicContact CD1-CZ2 3.68Å; F258-W262 HydrophobicContact CD1-CZ3 4.34Å; F258-W262 AromaticContact CD1-NE1 3.51Å; F258-W262 AromaticContact CE1-CD2 3.97Å; F258-W262 HydrophobicContact CE1-CD2 3.97Å; F258-W262 AromaticContact CE1-CE2 3.67Å; F258-W262 HydrophobicContact CE1-CE3 4.1Å; F258-W262 AromaticContact CE1-CH2 3.72Å; F258-W262 HydrophobicContact CE1-CH2 3.72Å; F258-W262 AromaticContact CE1-CZ2 3.56Å; F258-W262 HydrophobicContact CE1-CZ2 3.56Å; F258-W262 AromaticContact CE1-CZ3 3.99Å; F258-W262 HydrophobicContact CE1-CZ3 3.99Å; V260-W262 PolarHBondContact O-N 2.97Å; W262-I266 HydrophobicContact CE3-CD1 3.72Å; W262-I266 HydrophobicContact CZ3-CD1 3.89Å; W262-I266 WeakPolarHBondContact O-CD1 3.37Å; W262-I266 WeakPolarHBondContact O-CG1 3.14Å; W262-V337 HydrophobicContact CZ3-CG2 4.33Å; W262-A380 VanDerWaalsContact O-CB 3.3Å; W262-A380 WeakPolarHBondContact O-CB 3.31Å; W262-I382 HydrophobicContact CD2-CD1 4.48Å; W262-I382 HydrophobicContact CE3-CD1 3.94Å; W262-I382 HydrophobicContact CZ3-CD1 4.34Å
263	A	98.1	Very high	97.4	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-82.1	-45.2	-167.2	0	0	0	0	0	112.3	T183 I266 L267	T183-A263 HydrophobicContact CG2-CB 4.04Å; A263-I266 WeakPolarHBondContact O-CB 3.29Å; A263-I266 PolarHBondContact O-N 3.21Å; A263-I266 VanDerWaalsContact O-N 3.14Å; A263-L267 HydrophobicContact CB-CD1 4.18Å; A263-L267 WeakPolarHBondContact O-CB 3.28Å; A263-L267 VanDerWaalsContact O-CG 3.26Å; A263-L267 WeakPolarHBondContact O-CG 3.5Å; A263-L267 PolarHBondContact O-N 3.4Å
264	E	98.1	Very high	97.5	Very high	40 Å²	40	27.6 Å²	27.6	19%	0.187	13%	0.133	C	C	.	.	H	α-helix	trans	-55.9	-49.2	-174.9	-57.5	92.2	141.4	0	0	113.9	Y151 L155 P184 L187 G261 I266 L267 L268	Y151-E264 HydrophobicContact CD1-CB 4.11Å; Y151-E264 HydrophobicContact CD2-CB 3.57Å; Y151-E264 HydrophobicContact CD2-CG 4.4Å; Y151-E264 HydrophobicContact CE2-CB 4.14Å; Y151-E264 HydrophobicContact CG-CB 3.56Å; L155-E264 HydrophobicContact CD1-CB 3.95Å; L155-E264 HydrophobicContact CD1-CG 4.23Å; P184-E264 WeakPolarHBondContact CG-OE1 3.3Å; L187-E264 HydrophobicContact CD1-CG 4.07Å; G261-E264 WeakPolarHBondContact CA-OE2 3.46Å; E264-I266 VanDerWaalsContact C-N 3.33Å; E264-I266 PolarHBondContact O-N 3.5Å; E264-L267 PolarHBondContact O-N 3.03Å; E264-L268 WeakPolarHBondContact O-CB 3.35Å; E264-L268 PolarHBondContact O-N 2.87Å
265	P	97.8	Very high	97.7	Very high	8 Å²	8	29.5 Å²	29.5	5%	0.052	14%	0.144	C	C	.	.	H	α-helix	trans	-58.8	-42	174.5	18.5	-30.5	0	0	0	112.9	Y151 G261 R269 L377 C379 A380	Y151-P265 VanDerWaalsContact CE1-CA 3.48Å; Y151-P265 HydrophobicContact CE1-CB 3.87Å; Y151-P265 WeakPolarHBondContact OH-CB 3.42Å; G261-P265 WeakPolarHBondContact O-CD 3.42Å; G261-P265 WeakPolarHBondContact O-CG 3.37Å; P265-R269 VanDerWaalsContact O-CG 3.29Å; P265-R269 WeakPolarHBondContact O-CG 3.42Å; P265-R269 PolarHBondContact O-N 3.39Å; P265-R269 VanDerWaalsContact O-N 3.15Å; P265-L377 HydrophobicContact CB-CD1 4.19Å; P265-C379 HydrophobicContact CB-CB 4.44Å; P265-C379 HydrophobicContact CG-CB 4.44Å; P265-A380 HydrophobicContact CG-CB 3.97Å
266	I	98.4	Very high	97.7	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-64.7	-50	-180	-64.4	178.3	0	0	0	110.5	W262 A263 E264 L268 R269 I270 I278 P280 V337 L377 A380	W262-I266 HydrophobicContact CE3-CD1 3.72Å; W262-I266 HydrophobicContact CZ3-CD1 3.89Å; W262-I266 WeakPolarHBondContact O-CD1 3.37Å; W262-I266 WeakPolarHBondContact O-CG1 3.14Å; A263-I266 WeakPolarHBondContact O-CB 3.29Å; A263-I266 PolarHBondContact O-N 3.21Å; A263-I266 VanDerWaalsContact O-N 3.14Å; E264-I266 VanDerWaalsContact C-N 3.33Å; E264-I266 PolarHBondContact O-N 3.5Å; I266-L268 VanDerWaalsContact C-N 3.29Å; I266-L268 PolarHBondContact O-N 3.02Å; I266-R269 PolarHBondContact O-N 2.91Å; I266-R269 VanDerWaalsContact O-N 3.15Å; I266-I270 HydrophobicContact CG2-CD1 3.9Å; I266-I270 PolarHBondContact O-N 3.36Å; I266-I278 HydrophobicContact CB-CG2 4.32Å; I266-I278 HydrophobicContact CD1-CG2 4.43Å; I266-I278 HydrophobicContact CG1-CG2 3.85Å; I266-I278 HydrophobicContact CG2-CB 3.99Å; I266-I278 HydrophobicContact CG2-CG1 4.33Å; I266-I278 HydrophobicContact CG2-CG2 3.98Å; I266-P280 HydrophobicContact CD1-CB 4.49Å; I266-V337 HydrophobicContact CD1-CG2 3.97Å; I266-V337 HydrophobicContact CG2-CB 3.6Å; I266-V337 HydrophobicContact CG2-CG1 3.61Å; I266-V337 HydrophobicContact CG2-CG2 3.96Å; I266-L377 HydrophobicContact CB-CD1 4.44Å; I266-L377 HydrophobicContact CG1-CD1 3.93Å; I266-A380 HydrophobicContact CD1-CB 3.78Å; I266-A380 HydrophobicContact CG1-CB 3.66Å
267	L	98.7	Very high	97.8	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-66	-33.4	-176.6	-65.5	170.4	0	0	0	112	L155 P156 V158 L187 V248 A263 E264 K271	L155-L267 HydrophobicContact CB-CB 4.15Å; L155-L267 HydrophobicContact CD1-CB 4.28Å; L155-L267 HydrophobicContact CD2-CB 4.39Å; P156-L267 HydrophobicContact CG-CB 4.23Å; P156-L267 HydrophobicContact CG-CD2 4.16Å; P156-L267 WeakPolarHBondContact O-CD1 3.37Å; V158-L267 HydrophobicContact CB-CD2 4.07Å; L187-L267 HydrophobicContact CB-CD1 4.2Å; L187-L267 HydrophobicContact CD1-CD1 3.95Å; L187-L267 HydrophobicContact CD2-CD1 4.42Å; L187-L267 HydrophobicContact CG-CD1 4.42Å; V248-L267 HydrophobicContact CB-CD2 3.88Å; V248-L267 HydrophobicContact CG1-CD2 3.78Å; V248-L267 HydrophobicContact CG2-CD2 3.93Å; A263-L267 HydrophobicContact CB-CD1 4.18Å; A263-L267 WeakPolarHBondContact O-CB 3.28Å; A263-L267 VanDerWaalsContact O-CG 3.26Å; A263-L267 WeakPolarHBondContact O-CG 3.5Å; A263-L267 PolarHBondContact O-N 3.4Å; E264-L267 PolarHBondContact O-N 3.03Å; L267-K271 WeakPolarHBondContact O-CB 3.29Å; L267-K271 PolarHBondContact O-N 3.37Å
268	L	98.2	Very high	97.8	Very high	40 Å²	40	30.5 Å²	30.5	21%	0.209	15%	0.147	C	C	.	.	H	α-helix	trans	-63.6	-48.1	172.1	179.5	61.2	0	0	0	111	Y151 P152 L155 E264 I266 I270 K271 E272	Y151-L268 HydrophobicContact CD1-CB 4.32Å; Y151-L268 HydrophobicContact CD1-CD2 3.82Å; Y151-L268 HydrophobicContact CE1-CD2 4.21Å; P152-L268 HydrophobicContact CG-CD1 4.06Å; L155-L268 HydrophobicContact CD2-CB 3.96Å; L155-L268 HydrophobicContact CD2-CD1 4.23Å; E264-L268 WeakPolarHBondContact O-CB 3.35Å; E264-L268 PolarHBondContact O-N 2.87Å; I266-L268 VanDerWaalsContact C-N 3.29Å; I266-L268 PolarHBondContact O-N 3.02Å; L268-I270 VanDerWaalsContact C-N 3.34Å; L268-I270 PolarHBondContact O-N 3.38Å; L268-K271 WeakPolarHBondContact O-CB 3.34Å; L268-K271 PolarHBondContact O-N 2.82Å; L268-K271 VanDerWaalsContact O-N 3.17Å; L268-E272 HydrophobicContact CD1-CG 4.39Å; L268-E272 WeakPolarHBondContact O-CG 3.45Å; L268-E272 PolarHBondContact O-N 3.44Å
269	R	97.9	Very high	97.7	Very high	54 Å²	54	30.5 Å²	30.5	20%	0.204	15%	0.147	C	C	.	.	H	α-helix	trans	-61.9	-39.4	-178.8	-70	-61.4	-63.9	161.5	-7.9	113.1	P265 I266 E272 D273 R276 I278 E375 L377	P265-R269 VanDerWaalsContact O-CG 3.29Å; P265-R269 WeakPolarHBondContact O-CG 3.42Å; P265-R269 PolarHBondContact O-N 3.39Å; P265-R269 VanDerWaalsContact O-N 3.15Å; I266-R269 PolarHBondContact O-N 2.91Å; I266-R269 VanDerWaalsContact O-N 3.15Å; R269-E272 IonicContact CZ-OE2 3.78Å; R269-E272 IonicContact NE-OE2 3.04Å; R269-E272 IonicContact NH1-OE2 3.49Å; R269-E272 PolarHBondContact NH1-OE2 2.87Å; R269-D273 PolarHBondContact O-N 3.21Å; R269-R276 PolarHBondContact O-NH1 3.11Å; R269-I278 HydrophobicContact CB-CD1 4.02Å; R269-I278 HydrophobicContact CB-CG1 4.41Å; R269-E375 IonicContact CZ-OE1 3.61Å; R269-E375 IonicContact CZ-OE2 3.9Å; R269-E375 IonicContact NE-OE2 3.73Å; R269-E375 PolarHBondContact NE-OE2 3.28Å; R269-E375 IonicContact NH2-OE1 2.94Å; R269-E375 PolarHBondContact NH2-OE1 2.88Å; R269-E375 IonicContact NH2-OE2 2.88Å; R269-E375 PolarHBondContact NH2-OE2 2.94Å; R269-L377 HydrophobicContact CB-CD1 4.37Å; R269-L377 HydrophobicContact CG-CD1 3.76Å; R269-L377 HydrophobicContact CG-CD2 4.12Å
270	I	98.6	Very high	97.7	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-71.8	-37.3	175.8	-65.1	172.9	0	0	0	110.9	V248 I266 L268 E272 D273 R274 I278 V337 D339	V248-I270 HydrophobicContact CG1-CD1 3.82Å; V248-I270 HydrophobicContact CG2-CG2 4.01Å; I266-I270 HydrophobicContact CG2-CD1 3.9Å; I266-I270 PolarHBondContact O-N 3.36Å; L268-I270 VanDerWaalsContact C-N 3.34Å; L268-I270 PolarHBondContact O-N 3.38Å; I270-E272 VanDerWaalsContact C-N 3.32Å; I270-E272 PolarHBondContact O-N 3.17Å; I270-D273 CarbonylContact O-C 3.53Å; I270-D273 PolarHBondContact O-N 2.85Å; I270-D273 VanDerWaalsContact O-O 3.11Å; I270-R274 PolarHBondContact O-N 3.43Å; I270-I278 HydrophobicContact CD1-CG1 4.14Å; I270-I278 HydrophobicContact CG1-CG1 3.77Å; I270-V337 HydrophobicContact CD1-CB 4.27Å; I270-V337 HydrophobicContact CD1-CG1 3.8Å; I270-D339 HydrophobicContact CG2-CB 3.96Å
271	K	98.1	Very high	97.8	Very high	97 Å²	97	27.5 Å²	27.5	42%	0.422	13%	0.13	S	C	.	.	H	α-helix	trans	-63.1	-38.7	175.3	-178.6	-178.4	177.2	-179.4	0	112.2	N154 L155 P156 L267 L268 D273	N154-K271 VanDerWaalsContact CG-NZ 3.31Å; N154-K271 PolarHBondContact O-NZ 3.45Å; N154-K271 PolarHBondContact OD1-NZ 2.89Å; L155-K271 HydrophobicContact CD2-CD 4.31Å; P156-K271 HydrophobicContact CG-CB 4.43Å; L267-K271 WeakPolarHBondContact O-CB 3.29Å; L267-K271 PolarHBondContact O-N 3.37Å; L268-K271 WeakPolarHBondContact O-CB 3.34Å; L268-K271 PolarHBondContact O-N 2.82Å; L268-K271 VanDerWaalsContact O-N 3.17Å; K271-D273 VanDerWaalsContact C-N 3.26Å; K271-D273 PolarHBondContact O-N 3.24Å
272	E	98	Very high	97.8	Very high	106 Å²	106	27.7 Å²	27.7	50%	0.495	13%	0.128	S	C	.	.	H	α-helix	trans	-65.6	-30.8	176.4	-74	172.1	169.4	0	0	112.4	L268 R269 I270 R276	L268-E272 HydrophobicContact CD1-CG 4.39Å; L268-E272 WeakPolarHBondContact O-CG 3.45Å; L268-E272 PolarHBondContact O-N 3.44Å; R269-E272 IonicContact CZ-OE2 3.78Å; R269-E272 IonicContact NE-OE2 3.04Å; R269-E272 IonicContact NH1-OE2 3.49Å; R269-E272 PolarHBondContact NH1-OE2 2.87Å; I270-E272 VanDerWaalsContact C-N 3.32Å; I270-E272 PolarHBondContact O-N 3.17Å; E272-R276 VanDerWaalsContact CB-NH1 3.32Å; E272-R276 IonicContact OE2-NH1 3.32Å
273	D	98.5	Very high	97.8	Very high	51 Å²	51	27.7 Å²	27.7	27%	0.273	13%	0.128	S	C	.	.			trans	-162.2	110.1	178.5	-177.1	-9.4	0	0	0	110.3	R269 I270 K271 T275 R276	R269-D273 PolarHBondContact O-N 3.21Å; I270-D273 CarbonylContact O-C 3.53Å; I270-D273 PolarHBondContact O-N 2.85Å; I270-D273 VanDerWaalsContact O-O 3.11Å; K271-D273 VanDerWaalsContact C-N 3.26Å; K271-D273 PolarHBondContact O-N 3.24Å; D273-T275 PolarHBondContact O-N 2.99Å; D273-T275 VanDerWaalsContact O-N 3.12Å; D273-T275 WeakPolarHBondContact OD1-CB 3.35Å; D273-T275 PolarHBondContact OD1-N 2.66Å; D273-T275 PolarHBondContact OD1-OG1 2.95Å; D273-R276 HydrophobicContact CB-CG 3.96Å; D273-R276 WeakPolarHBondContact O-CG 3.46Å; D273-R276 PolarHBondContact O-N 2.96Å; D273-R276 IonicContact OD2-CZ 3.29Å; D273-R276 IonicContact OD2-NE 2.7Å; D273-R276 IonicContact OD2-NH2 3.78Å; D273-R276 PolarHBondContact OD2-NH2 3.39Å; D273-R276 VanDerWaalsContact OD2-NH2 3.15Å
274	R	98.2	Very high	97.7	Very high	78 Å²	78	28.2 Å²	28.2	29%	0.294	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17	-178.7	60.7	177.9	-89.1	106.3	-5.4	113.9	I270 R276 D339 Y342 E345	I270-R274 PolarHBondContact O-N 3.43Å; R274-R276 PolarHBondContact O-N 3.3Å; R274-D339 HydrophobicContact CB-CB 4.04Å; R274-D339 IonicContact CZ-OD1 2.93Å; R274-D339 IonicContact NH1-OD1 3.77Å; R274-D339 PolarHBondContact NH1-OD1 3.26Å; R274-D339 IonicContact NH1-OD2 3.69Å; R274-D339 PolarHBondContact NH1-OD2 2.91Å; R274-D339 IonicContact NH2-OD1 2.85Å; R274-D339 WeakPolarHBondContact O-CB 3.36Å; R274-Y342 WeakPolarHBondContact O-CB 2.88Å; R274-Y342 VanDerWaalsContact O-CD1 3.31Å; R274-Y342 WeakPolarHBondContact O-CD1 3.49Å; R274-E345 IonicContact CZ-OE1 3.96Å; R274-E345 IonicContact CZ-OE2 2.72Å; R274-E345 IonicContact NH2-OE1 2.61Å; R274-E345 PolarHBondContact NH2-OE1 2.81Å; R274-E345 IonicContact NH2-OE2 2.92Å; R274-E345 PolarHBondContact NH2-OE2 3.03Å
275	T	98.6	Very high	97.7	Very high	39 Å²	39	26.4 Å²	26.4	24%	0.239	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	3	-176.1	72.9	0	0	0	0	113.2	D273 Y342 G372 S373	D273-T275 PolarHBondContact O-N 2.99Å; D273-T275 VanDerWaalsContact O-N 3.12Å; D273-T275 WeakPolarHBondContact OD1-CB 3.35Å; D273-T275 PolarHBondContact OD1-N 2.66Å; D273-T275 PolarHBondContact OD1-OG1 2.95Å; T275-Y342 HydrophobicContact CG2-CD2 4.19Å; T275-Y342 HydrophobicContact CG2-CE2 3.95Å; T275-Y342 VanDerWaalsContact O-CE1 3.24Å; T275-Y342 WeakPolarHBondContact O-CE1 3.29Å; T275-Y342 PolarHBondContact O-OH 2.97Å; T275-G372 WeakPolarHBondContact O-CA 3.41Å; T275-S373 PolarHBondContact O-N 3.12Å
276	R	98.4	Very high	97.6	Very high	38 Å²	38	29.3 Å²	29.3	14%	0.143	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	131.2	176.5	-56.3	-170.9	-178.8	116.2	11.4	111.1	R269 E272 D273 R274 I278 S373 E375	R269-R276 PolarHBondContact O-NH1 3.11Å; E272-R276 VanDerWaalsContact CB-NH1 3.32Å; E272-R276 IonicContact OE2-NH1 3.32Å; D273-R276 HydrophobicContact CB-CG 3.96Å; D273-R276 WeakPolarHBondContact O-CG 3.46Å; D273-R276 PolarHBondContact O-N 2.96Å; D273-R276 IonicContact OD2-CZ 3.29Å; D273-R276 IonicContact OD2-NE 2.7Å; D273-R276 IonicContact OD2-NH2 3.78Å; D273-R276 PolarHBondContact OD2-NH2 3.39Å; D273-R276 VanDerWaalsContact OD2-NH2 3.15Å; R274-R276 PolarHBondContact O-N 3.3Å; R276-I278 HydrophobicContact CB-CD1 3.87Å; R276-I278 HydrophobicContact CB-CG1 4.49Å; R276-S373 WeakPolarHBondContact CA-O 3.15Å; R276-S373 WeakPolarHBondContact CG-OG 3.15Å; R276-E375 IonicContact NE-OE1 3.5Å
277	I	98.4	Very high	97.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.1	163.8	-52.3	-157.4	0	0	0	108	L332 F336 V338 Y342 I346 L363 V367 S373 V374 E375	I277-L332 HydrophobicContact CG2-CD1 3.85Å; I277-L332 HydrophobicContact CG2-CD2 3.95Å; I277-F336 HydrophobicContact CG2-CB 3.9Å; I277-F336 HydrophobicContact CG2-CD2 3.66Å; I277-F336 HydrophobicContact CG2-CG 4.04Å; I277-V338 HydrophobicContact CD1-CB 4.47Å; I277-V338 HydrophobicContact CD1-CG2 3.87Å; I277-V338 HydrophobicContact CG1-CB 4.41Å; I277-V338 HydrophobicContact CG1-CG2 3.8Å; I277-V338 HydrophobicContact CG2-CB 4.44Å; I277-Y342 HydrophobicContact CG1-CE1 4.24Å; I277-I346 HydrophobicContact CD1-CD1 4.15Å; I277-L363 HydrophobicContact CD1-CD1 3.74Å; I277-L363 HydrophobicContact CD1-CD2 4.01Å; I277-L363 HydrophobicContact CD1-CG 4Å; I277-V367 HydrophobicContact CD1-CG2 3.4Å; I277-V367 VanDerWaalsContact CD1-CG2 3.4Å; I277-V367 HydrophobicContact CG1-CG1 4.37Å; I277-V367 HydrophobicContact CG1-CG2 3.87Å; I277-S373 PolarHBondContact N-O 3.22Å; I277-V374 WeakPolarHBondContact O-CA 3.22Å; I277-E375 PolarHBondContact O-N 2.48Å; I277-E375 VanDerWaalsContact O-N 3.08Å
278	I	98.3	Very high	97.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.4	-171.9	-53.9	-59.9	0	0	0	109.8	I266 R269 I270 R276 F336 V337 E375 L377	I266-I278 HydrophobicContact CB-CG2 4.32Å; I266-I278 HydrophobicContact CD1-CG2 4.43Å; I266-I278 HydrophobicContact CG1-CG2 3.85Å; I266-I278 HydrophobicContact CG2-CB 3.99Å; I266-I278 HydrophobicContact CG2-CG1 4.33Å; I266-I278 HydrophobicContact CG2-CG2 3.98Å; R269-I278 HydrophobicContact CB-CD1 4.02Å; R269-I278 HydrophobicContact CB-CG1 4.41Å; I270-I278 HydrophobicContact CD1-CG1 4.14Å; I270-I278 HydrophobicContact CG1-CG1 3.77Å; R276-I278 HydrophobicContact CB-CD1 3.87Å; R276-I278 HydrophobicContact CB-CG1 4.49Å; I278-F336 CarbonylContact O-C 3.57Å; I278-F336 WeakPolarHBondContact O-CA 3.41Å; I278-V337 PolarHBondContact N-O 3.26Å; I278-V337 PolarHBondContact O-N 3.03Å; I278-E375 WeakPolarHBondContact CA-O 3.42Å; I278-E375 HydrophobicContact CD1-CB 3.88Å; I278-E375 HydrophobicContact CD1-CG 4.39Å; I278-L377 HydrophobicContact CG2-CD1 3.62Å; I278-L377 HydrophobicContact CG2-CG 3.59Å
279	S	97.1	Very high	96.9	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	135	163.3	-179.3	0	0	0	0	109.1	F282 Q300 E375 V376 L377	S279-F282 WeakPolarHBondContact OG-CE2 3.42Å; S279-Q300 PolarHBondContact OG-NE2 3.19Å; S279-E375 PolarHBondContact N-O 3.09Å; S279-V376 VanDerWaalsContact O-CA 3.31Å; S279-V376 WeakPolarHBondContact O-CA 3.43Å; S279-L377 PolarHBondContact O-N 2.92Å; S279-L377 VanDerWaalsContact O-N 3.1Å
280	P	96.4	Very high	96.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	163.5	162.7	28	-27.6	0	0	0	110.1	F252 I266 F282 A380 I382	F252-P280 HydrophobicContact CE1-CG 4.06Å; I266-P280 HydrophobicContact CD1-CB 4.49Å; P280-F282 HydrophobicContact CG-CE1 3.82Å; P280-F282 HydrophobicContact CG-CZ 3.83Å; P280-A380 CarbonylContact C-O 3.29Å; P280-A380 WeakPolarHBondContact CA-O 3.35Å; P280-A380 HydrophobicContact CB-CB 4.43Å; P280-A380 VanDerWaalsContact CB-O 3.24Å; P280-A380 WeakPolarHBondContact CB-O 3.25Å; P280-I382 HydrophobicContact CB-CB 4.44Å; P280-I382 HydrophobicContact CB-CD1 3.93Å; P280-I382 HydrophobicContact CB-CG1 3.95Å; P280-I382 HydrophobicContact CG-CB 4.43Å; P280-I382 HydrophobicContact CG-CD1 3.66Å; P280-I382 HydrophobicContact CG-CG1 4.12Å
281	S	95.9	Very high	96.7	Very high	6 Å²	6	35 Å²	35	4%	0.042	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	127	163	-171.3	0	0	0	0	108.4	A380 R381 I382	S281-A380 PolarHBondContact N-O 3.35Å; S281-R381 VanDerWaalsContact O-CA 3.29Å; S281-R381 WeakPolarHBondContact O-CA 3.49Å; S281-R381 PolarHBondContact OG-NH1 2.79Å; S281-I382 PolarHBondContact O-N 3.03Å
282	F	95.8	Very high	96.6	Very high	15 Å²	15	32 Å²	32	7%	0.066	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	146.3	178.6	-62.4	-72.6	0	0	0	111	S279 P280 Y295 I333 C335 I382 H384	S279-F282 WeakPolarHBondContact OG-CE2 3.42Å; P280-F282 HydrophobicContact CG-CE1 3.82Å; P280-F282 HydrophobicContact CG-CZ 3.83Å; F282-Y295 WeakPolarHBondContact O-CB 3.33Å; F282-I333 VanDerWaalsContact CE2-O 3.24Å; F282-I333 WeakPolarHBondContact CE2-O 3.05Å; F282-C335 HydrophobicContact CE1-CB 4Å; F282-C335 HydrophobicContact CZ-CB 3.83Å; F282-I382 CarbonylContact C-O 3.59Å; F282-I382 VanDerWaalsContact CA-O 3.24Å; F282-I382 WeakPolarHBondContact CA-O 3.47Å; F282-H384 HydrophobicContact CD1-CB 4.33Å
283	D	96.6	Very high	96.5	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.011	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	153.5	164	-71.8	-50.2	0	0	0	108.5	L141 I292 E294 Y295 R381 I382 A383 H384	L141-D283 HydrophobicContact CD1-CB 4.43Å; D283-I292 HydrophobicContact CB-CG2 3.84Å; D283-E294 WeakPolarHBondContact OD1-CA 3.43Å; D283-Y295 PolarHBondContact OD1-N 3.43Å; D283-R381 IonicContact OD1-CZ 3.8Å; D283-R381 VanDerWaalsContact OD1-CZ 3.26Å; D283-R381 IonicContact OD1-NE 3.52Å; D283-R381 PolarHBondContact OD1-NE 2.83Å; D283-R381 IonicContact OD1-NH2 3.58Å; D283-R381 PolarHBondContact OD1-NH2 2.87Å; D283-R381 IonicContact OD2-CZ 2.82Å; D283-R381 IonicContact OD2-NE 3.15Å; D283-R381 PolarHBondContact OD2-NE 2.64Å; D283-R381 IonicContact OD2-NH2 2.98Å; D283-I382 PolarHBondContact N-O 3.01Å; D283-A383 HydrophobicContact CB-CB 4.03Å; D283-A383 CarbonylContact O-C 3.55Å; D283-A383 VanDerWaalsContact O-CA 3.32Å; D283-A383 WeakPolarHBondContact O-CA 3.41Å; D283-H384 PolarHBondContact O-N 2.92Å
284	N	96	Very high	96.4	Very high	12 Å²	12	34 Å²	34	6%	0.064	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.5	-179.8	-173.9	13.5	0	0	0	111.2	I292 E293 Y295 E386	N284-I292 CarbonylContact O-C 3.55Å; N284-I292 WeakPolarHBondContact O-CA 3.48Å; N284-E293 HydrophobicContact CB-CB 4.33Å; N284-E293 PolarHBondContact N-O 3.07Å; N284-E293 PolarHBondContact O-N 3.22Å; N284-Y295 HydrophobicContact CB-CD1 3.94Å; N284-Y295 HydrophobicContact CB-CE1 3.37Å; N284-Y295 HydrophobicContact CB-CE2 4.47Å; N284-E386 PolarHBondContact ND2-OE2 3.35Å; N284-E386 WeakPolarHBondContact OD1-CB 3.26Å
285	I	97.3	Very high	96.1	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	108.7	161.9	-54	170.1	0	0	0	106.6	E257 Y287 F290 E291 I292 A383 H384 I385 E386	E257-I285 HydrophobicContact CB-CD1 4.17Å; E257-I285 HydrophobicContact CG-CD1 4.01Å; I285-Y287 PolarHBondContact O-N 3.4Å; I285-F290 HydrophobicContact CG2-CB 4.26Å; I285-F290 HydrophobicContact CG2-CD1 3.84Å; I285-F290 HydrophobicContact CG2-CE1 4.46Å; I285-F290 HydrophobicContact CG2-CG 4.19Å; I285-E291 WeakPolarHBondContact CA-O 3.36Å; I285-I292 HydrophobicContact CG1-CG1 4.07Å; I285-A383 HydrophobicContact CD1-CB 3.81Å; I285-A383 HydrophobicContact CG1-CB 3.51Å; I285-H384 PolarHBondContact N-O 2.8Å; I285-I385 HydrophobicContact CB-CB 4.45Å; I285-I385 HydrophobicContact CB-CG1 3.89Å; I285-I385 HydrophobicContact CD1-CG1 3.9Å; I285-I385 HydrophobicContact CG1-CG1 4.47Å; I285-I385 HydrophobicContact CG2-CG1 3.97Å; I285-E386 PolarHBondContact O-N 3.41Å
286	K	95.6	Very high	95.9	Very high	69 Å²	69	35.5 Å²	35.5	30%	0.3	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	131	-178.9	-65.7	-171.8	175.3	179.7	0	111.1	D288 F290 E291 E293	K286-D288 WeakPolarHBondContact CB-OD1 3.34Å; K286-D288 PolarHBondContact O-N 2.92Å; K286-D288 VanDerWaalsContact O-N 3.15Å; K286-F290 WeakPolarHBondContact O-CA 3.32Å; K286-F290 PolarHBondContact O-N 2.85Å; K286-E291 PolarHBondContact N-O 3.21Å; K286-E293 WeakPolarHBondContact CE-OE2 3.47Å; K286-E293 IonicContact NZ-OE2 3.68Å
287	Y	94.7	Very high	95.7	Very high	65 Å²	65	35 Å²	35	26%	0.255	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.3	-177.1	63	-100.4	0	0	0	113.6	F119 Y124 N125 I285 E386 A388	F119-Y287 AromaticContact CE2-CD2 3.6Å; F119-Y287 HydrophobicContact CE2-CD2 3.6Å; F119-Y287 AromaticContact CE2-CE2 3.94Å; F119-Y287 HydrophobicContact CE2-CE2 3.94Å; F119-Y287 HydrophobicContact CZ-CD2 4.26Å; F119-Y287 HydrophobicContact CZ-CE2 4.15Å; Y124-Y287 CarbonylContact C-O 3.52Å; Y124-Y287 WeakPolarHBondContact CA-O 3.2Å; N125-Y287 VanDerWaalsContact CB-O 3.3Å; N125-Y287 WeakPolarHBondContact CB-O 3.48Å; N125-Y287 PolarHBondContact N-O 3.36Å; I285-Y287 PolarHBondContact O-N 3.4Å; Y287-E386 WeakPolarHBondContact CB-O 3.43Å; Y287-A388 HydrophobicContact CD1-CB 4.08Å; Y287-A388 HydrophobicContact CD2-CB 4Å; Y287-A388 HydrophobicContact CE1-CB 4.16Å; Y287-A388 HydrophobicContact CE2-CB 4.1Å; Y287-A388 HydrophobicContact CG-CB 4.01Å
288	D	92.7	Very high	95.5	Very high	11 Å²	11	35.9 Å²	35.9	6%	0.059	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-50.8	-174.1	58.5	-15	0	0	0	112.4	L99 H102 N125 K286	L99-D288 HydrophobicContact CD1-CB 4.16Å; H102-D288 IonicContact CD2-OD2 3.43Å; N125-D288 VanDerWaalsContact CB-O 3.28Å; N125-D288 WeakPolarHBondContact CB-O 3.21Å; N125-D288 PolarHBondContact ND2-O 3.2Å; K286-D288 WeakPolarHBondContact CB-OD1 3.34Å; K286-D288 PolarHBondContact O-N 2.92Å; K286-D288 VanDerWaalsContact O-N 3.15Å
289	T	93.9	Very high	95.4	Very high	24 Å²	24	36 Å²	36	15%	0.147	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-13.3	-173.2	64.4	0	0	0	0	114.2	H102 W103 L128 E291	H102-T289 HydrophobicContact CB-CG2 4.48Å; W103-T289 HydrophobicContact CB-CG2 4.23Å; L128-T289 WeakPolarHBondContact CD2-O 3.49Å; T289-E291 PolarHBondContact O-N 2.89Å; T289-E291 VanDerWaalsContact O-N 3.15Å; T289-E291 WeakPolarHBondContact OG1-CB 3.27Å; T289-E291 WeakPolarHBondContact OG1-CG 3.3Å; T289-E291 PolarHBondContact OG1-N 2.91Å
290	F	95.6	Very high	95.3	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	18%	0.178	C	C	.	.			trans	59.1	13.8	-170.6	-83.5	-106.8	0	0	0	114.4	Y124 N125 L128 S129 L132 R136 V171 R174 I285 K286 I385	Y124-F290 HydrophobicContact CD2-CE2 4.34Å; Y124-F290 AromaticContact CD2-CZ 3.97Å; Y124-F290 HydrophobicContact CD2-CZ 3.97Å; Y124-F290 HydrophobicContact CE2-CZ 4.49Å; N125-F290 HydrophobicContact CB-CE2 4.2Å; N125-F290 VanDerWaalsContact O-CE2 3.27Å; N125-F290 WeakPolarHBondContact O-CE2 3.33Å; L128-F290 HydrophobicContact CD2-CD2 4.35Å; S129-F290 VanDerWaalsContact CB-CZ 3.48Å; L132-F290 HydrophobicContact CD1-CB 3.61Å; L132-F290 HydrophobicContact CD1-CD1 4Å; L132-F290 HydrophobicContact CD1-CG 3.82Å; R136-F290 PolarHBondContact NH1-O 2.85Å; R136-F290 PolarHBondContact NH2-O 2.82Å; V171-F290 HydrophobicContact CG2-CE1 4.34Å; V171-F290 HydrophobicContact CG2-CZ 4.28Å; R174-F290 VanDerWaalsContact NH1-CE1 3.3Å; I285-F290 HydrophobicContact CG2-CB 4.26Å; I285-F290 HydrophobicContact CG2-CD1 3.84Å; I285-F290 HydrophobicContact CG2-CE1 4.46Å; I285-F290 HydrophobicContact CG2-CG 4.19Å; K286-F290 WeakPolarHBondContact O-CA 3.32Å; K286-F290 PolarHBondContact O-N 2.85Å; F290-I385 HydrophobicContact CE1-CD1 3.6Å; F290-I385 HydrophobicContact CE1-CG1 4.49Å; F290-I385 HydrophobicContact CZ-CD1 3.87Å
291	E	95.6	Very high	95.2	Very high	119 Å²	119	36.1 Å²	36.1	56%	0.556	18%	0.178	S	C	*	.	P	Polyproline II helix	trans	-68	148.2	169.4	-68.7	175.9	170.1	0	0	110.2	I285 K286 T289	I285-E291 WeakPolarHBondContact CA-O 3.36Å; K286-E291 PolarHBondContact N-O 3.21Å; T289-E291 PolarHBondContact O-N 2.89Å; T289-E291 VanDerWaalsContact O-N 3.15Å; T289-E291 WeakPolarHBondContact OG1-CB 3.27Å; T289-E291 WeakPolarHBondContact OG1-CG 3.3Å; T289-E291 PolarHBondContact OG1-N 2.91Å
292	I	96.8	Very high	95.2	Very high	34 Å²	34	35.8 Å²	35.8	17%	0.174	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.1	178.6	-66.9	170.2	0	0	0	109	I138 P139 L141 D283 N284 I285 A383	I138-I292 HydrophobicContact CB-CD1 3.5Å; I138-I292 VanDerWaalsContact CB-CD1 3.5Å; I138-I292 HydrophobicContact CD1-CD1 4.34Å; I138-I292 HydrophobicContact CG2-CD1 3.36Å; P139-I292 HydrophobicContact CG-CB 4.12Å; P139-I292 HydrophobicContact CG-CG2 4.22Å; L141-I292 HydrophobicContact CD1-CG2 3.73Å; D283-I292 HydrophobicContact CB-CG2 3.84Å; N284-I292 CarbonylContact O-C 3.55Å; N284-I292 WeakPolarHBondContact O-CA 3.48Å; I285-I292 HydrophobicContact CG1-CG1 4.07Å; I292-A383 HydrophobicContact CD1-CB 3.87Å; I292-A383 HydrophobicContact CG1-CB 4.09Å; I292-A383 HydrophobicContact CG2-CB 4.2Å
293	E	95.8	Very high	95.1	Very high	91 Å²	91	36.1 Å²	36.1	43%	0.425	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.3	174.5	178.3	170.1	-171.4	0	0	110.2	N284 K286 Y295	N284-E293 HydrophobicContact CB-CB 4.33Å; N284-E293 PolarHBondContact N-O 3.07Å; N284-E293 PolarHBondContact O-N 3.22Å; K286-E293 WeakPolarHBondContact CE-OE2 3.47Å; K286-E293 IonicContact NZ-OE2 3.68Å; E293-Y295 PolarHBondContact O-N 3.4Å
294	E	95.7	Very high	95	Very high	108 Å²	108	36.4 Å²	36.4	51%	0.505	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-69.4	122.2	178.6	-172.5	-174.3	174.4	0	0	110.4	L141 D283	L141-E294 HydrophobicContact CB-CG 4.3Å; L141-E294 HydrophobicContact CD1-CB 3.85Å; L141-E294 HydrophobicContact CD1-CG 4.31Å; L141-E294 HydrophobicContact CD2-CB 4.24Å; L141-E294 HydrophobicContact CG-CB 4.47Å; D283-E294 WeakPolarHBondContact OD1-CA 3.43Å
295	Y	93.6	Very high	94.9	Very high	55 Å²	55	37.5 Å²	37.5	22%	0.216	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-86	140	167.4	-86.1	11.5	0	0	0	111.5	F282 D283 N284 E293 Y310 R381 E386	F282-Y295 WeakPolarHBondContact O-CB 3.33Å; D283-Y295 PolarHBondContact OD1-N 3.43Å; N284-Y295 HydrophobicContact CB-CD1 3.94Å; N284-Y295 HydrophobicContact CB-CE1 3.37Å; N284-Y295 HydrophobicContact CB-CE2 4.47Å; E293-Y295 PolarHBondContact O-N 3.4Å; Y295-Y310 HydrophobicContact CD2-CE2 4.12Å; Y295-Y310 AromaticContact CD2-CZ 3.99Å; Y295-Y310 AromaticContact CE2-CE2 3.95Å; Y295-Y310 HydrophobicContact CE2-CE2 3.95Å; Y295-R381 PolarHBondContact O-NH2 3.16Å; Y295-E386 PolarHBondContact OH-OE2 2.88Å
296	P	93.4	Very high	94.7	Very high	95 Å²	95	37.7 Å²	37.7	62%	0.617	19%	0.186	S	C	*	.	P	Polyproline II helix	trans	-57.4	146.4	176.8	-24.4	33.4	0	0	0	112.9	S298	P296-S298 PolarHBondContact O-N 3.26Å; P296-S298 PolarHBondContact O-OG 3.36Å
297	L	93.9	Very high	94.6	Very high	26 Å²	26	38.9 Å²	38.9	14%	0.136	19%	0.188	C	C	.	.			trans	-61.1	112.9	171.5	-61.6	-177.2	0	0	0	110.1	P143 P313 W317 K323 I327 P378	P143-L297 HydrophobicContact CG-CD1 4.07Å; P143-L297 HydrophobicContact CG-CD2 4.48Å; L297-P313 WeakPolarHBondContact O-CD 3.42Å; L297-P313 VanDerWaalsContact O-CG 3.27Å; L297-P313 WeakPolarHBondContact O-CG 3.14Å; L297-W317 HydrophobicContact CD1-CH2 3.89Å; L297-W317 HydrophobicContact CD1-CZ2 4.37Å; L297-K323 HydrophobicContact CD1-CB 4.17Å; L297-I327 HydrophobicContact CB-CD1 4.17Å; L297-P378 HydrophobicContact CD1-CB 4.11Å; L297-P378 HydrophobicContact CD1-CG 4.34Å; L297-P378 HydrophobicContact CD2-CB 3.67Å; L297-P378 HydrophobicContact CD2-CG 4.13Å
298	S	94.6	Very high	94.4	Very high	19 Å²	19	37.9 Å²	37.9	13%	0.133	19%	0.19	C	C	.	.			trans	-135.7	145.9	-170	-57.3	0	0	0	0	110.5	P296 L311	P296-S298 PolarHBondContact O-N 3.26Å; P296-S298 PolarHBondContact O-OG 3.36Å; S298-L311 CarbonylContact C-O 3.57Å; S298-L311 VanDerWaalsContact CA-O 3.31Å; S298-L311 WeakPolarHBondContact CA-O 3.39Å; S298-L311 VanDerWaalsContact CB-O 3.32Å; S298-L311 WeakPolarHBondContact CB-O 3.35Å
299	A	95.4	Very high	94.4	Very high	2 Å²	2	41.1 Å²	41.1	2%	0.017	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	168.5	157.6	0	0	0	0	0	108.9	L311 I327	A299-L311 HydrophobicContact CB-CB 4.15Å; A299-L311 PolarHBondContact N-O 2.85Å; A299-L311 PolarHBondContact O-N 3.4Å; A299-I327 HydrophobicContact CB-CG2 3.75Å
300	Q	95.5	Very high	94.3	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.4	-179.8	-59.9	168.6	-4.9	0	0	110	S279 S329 P330 A331 L332 I333 V376	S279-Q300 PolarHBondContact OG-NE2 3.19Å; Q300-S329 WeakPolarHBondContact CA-OG 3.41Å; Q300-S329 WeakPolarHBondContact CB-OG 3.48Å; Q300-S329 PolarHBondContact N-OG 2.87Å; Q300-S329 PolarHBondContact O-OG 2.92Å; Q300-P330 WeakPolarHBondContact O-CD 3.5Å; Q300-A331 WeakPolarHBondContact CB-O 3.41Å; Q300-A331 PolarHBondContact O-N 3.36Å; Q300-A331 PolarHBondContact OE1-O 2.93Å; Q300-L332 VanDerWaalsContact OE1-CA 3.26Å; Q300-I333 HydrophobicContact CB-CD1 3.9Å; Q300-I333 HydrophobicContact CB-CG1 3.76Å; Q300-I333 HydrophobicContact CG-CB 4.36Å; Q300-I333 HydrophobicContact CG-CD1 3.69Å; Q300-I333 HydrophobicContact CG-CG1 3.72Å; Q300-V376 HydrophobicContact CG-CG2 3.88Å
301	G	95.1	Very high	94.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	-161.6	180	0	0	0	0	0	111.7	C308 R309	G301-C308 WeakPolarHBondContact O-CA 3.4Å; G301-R309 PolarHBondContact N-O 2.9Å; G301-R309 PolarHBondContact O-N 3.15Å
302	F	95.5	Very high	94	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	158.6	-179.3	60.6	-82.5	0	0	0	111.8	L306 W307 A331 V361 I365 M412 F452 Y455 Y460 M463	F302-L306 HydrophobicContact CD2-CD2 3.67Å; F302-L306 HydrophobicContact CE2-CD2 3.77Å; F302-W307 CarbonylContact C-O 3.59Å; F302-W307 WeakPolarHBondContact CA-O 3.49Å; F302-W307 VanDerWaalsContact CB-O 3.29Å; F302-W307 WeakPolarHBondContact CB-O 3.48Å; F302-A331 HydrophobicContact CD1-CB 3.76Å; F302-A331 HydrophobicContact CE1-CB 4.3Å; F302-V361 HydrophobicContact CB-CG1 4.21Å; F302-V361 HydrophobicContact CB-CG2 3.76Å; F302-V361 HydrophobicContact CD1-CG1 3.67Å; F302-V361 HydrophobicContact CD1-CG2 4.35Å; F302-V361 HydrophobicContact CD2-CG1 3.61Å; F302-V361 HydrophobicContact CE1-CG1 3.82Å; F302-V361 HydrophobicContact CE2-CG1 3.84Å; F302-V361 HydrophobicContact CG-CB 4.47Å; F302-V361 HydrophobicContact CG-CG1 3.56Å; F302-V361 HydrophobicContact CG-CG2 4.04Å; F302-V361 HydrophobicContact CZ-CG1 3.94Å; F302-I365 HydrophobicContact CE1-CD1 4.27Å; F302-I365 HydrophobicContact CE1-CG1 4.07Å; F302-I365 HydrophobicContact CE2-CD1 4.23Å; F302-I365 HydrophobicContact CZ-CD1 3.68Å; F302-I365 HydrophobicContact CZ-CG1 3.87Å; F302-M412 HydrophobicContact CE2-CE 4.4Å; F302-F452 HydrophobicContact CZ-CZ 4.32Å; F302-Y455 HydrophobicContact CE1-CE1 4.23Å; F302-Y455 WeakPolarHBondContact CE1-OH 3.39Å; F302-Y455 HydrophobicContact CZ-CE1 4.14Å; F302-Y460 HydrophobicContact CD1-CD1 4.36Å; F302-Y460 AromaticContact CD1-CE1 3.99Å; F302-Y460 HydrophobicContact CD1-CE1 3.99Å; F302-Y460 HydrophobicContact CE1-CD1 4.02Å; F302-Y460 HydrophobicContact CE1-CE1 4.1Å; F302-Y460 HydrophobicContact CG-CE1 4.42Å; F302-Y460 HydrophobicContact CZ-CD1 4.4Å; F302-Y460 PolarHBondContact N-OH 2.95Å; F302-Y460 WeakPolarHBondContact O-CE1 3.4Å; F302-Y460 PolarHBondContact O-OH 3.24Å; F302-Y460 VanDerWaalsContact O-OH 3.09Å; F302-M463 HydrophobicContact CD2-CE 3.86Å; F302-M463 HydrophobicContact CE2-CE 3.6Å; F302-M463 HydrophobicContact CE2-SD 4.08Å; F302-M463 HydrophobicContact CZ-CE 4.39Å; F302-M463 HydrophobicContact CZ-SD 4.3Å
303	D	94.1	Very high	93.8	Very high	22 Å²	22	45.1 Å²	45.1	12%	0.118	22%	0.22	C	C	.	.			trans	-93.2	179.8	169.8	60.7	29	0	0	0	112.5	E305 L306 W307 P523	D303-E305 PolarHBondContact O-N 3.05Å; D303-E305 WeakPolarHBondContact OD1-CA 3.36Å; D303-E305 WeakPolarHBondContact OD1-CB 3.24Å; D303-E305 PolarHBondContact OD1-N 3.17Å; D303-L306 WeakPolarHBondContact O-CA 3.42Å; D303-L306 PolarHBondContact O-N 3Å; D303-L306 PolarHBondContact OD1-N 3.34Å; D303-L306 VanDerWaalsContact OD1-N 3.15Å; D303-W307 PolarHBondContact N-O 2.77Å; D303-W307 PolarHBondContact OD1-N 2.77Å; D303-P523 HydrophobicContact CB-CB 3.56Å; D303-P523 HydrophobicContact CB-CG 4.32Å
304	W	94.3	Very high	93.5	Very high	7 Å²	7	42.4 Å²	42.4	3%	0.027	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-12.6	-178.7	-67.9	111.5	0	0	0	114.5	M412 F415 H418 V419 A422 F452 L456 M463 R464	W304-M412 HydrophobicContact CE3-CE 3.77Å; W304-M412 HydrophobicContact CZ3-CE 3.47Å; W304-M412 VanDerWaalsContact CZ3-CE 3.47Å; W304-F415 HydrophobicContact CH2-CB 4.1Å; W304-F415 HydrophobicContact CH2-CD1 4.31Å; W304-F415 HydrophobicContact CZ3-CB 4.14Å; W304-H418 HydrophobicContact CB-CB 4.36Å; W304-H418 HydrophobicContact CD2-CB 3.35Å; W304-H418 AromaticContact CE2-CD2 3.66Å; W304-H418 HydrophobicContact CE3-CB 3.2Å; W304-H418 AromaticContact CE3-CG 4Å; W304-H418 HydrophobicContact CG-CB 3.88Å; W304-H418 HydrophobicContact CH2-CB 4.06Å; W304-H418 AromaticContact CH2-CD2 3.99Å; W304-H418 AromaticContact CH2-CG 3.93Å; W304-H418 HydrophobicContact CZ2-CB 4.21Å; W304-H418 AromaticContact CZ2-CD2 3.63Å; W304-H418 AromaticContact CZ2-CG 4Å; W304-H418 HydrophobicContact CZ3-CB 3.55Å; W304-H418 AromaticContact CZ3-CG 3.92Å; W304-V419 WeakPolarHBondContact O-CA 3.24Å; W304-A422 HydrophobicContact CB-CB 3.9Å; W304-F452 AromaticContact CH2-CE1 3.99Å; W304-F452 HydrophobicContact CH2-CE1 3.99Å; W304-F452 AromaticContact CZ3-CE1 3.94Å; W304-F452 HydrophobicContact CZ3-CE1 3.94Å; W304-L456 HydrophobicContact CH2-CD1 4.17Å; W304-L456 HydrophobicContact CH2-CD2 4.4Å; W304-M463 HydrophobicContact CD2-CE 3.34Å; W304-M463 HydrophobicContact CD2-SD 4.42Å; W304-M463 VanDerWaalsContact CE2-CE 3.49Å; W304-M463 HydrophobicContact CE3-CE 3.55Å; W304-M463 HydrophobicContact CG-CE 3.87Å; W304-M463 HydrophobicContact CH2-CE 4.08Å; W304-M463 HydrophobicContact CH2-SD 3.99Å; W304-M463 HydrophobicContact CZ2-CE 3.86Å; W304-M463 HydrophobicContact CZ2-CG 4Å; W304-M463 HydrophobicContact CZ2-SD 3.83Å; W304-M463 HydrophobicContact CZ3-CE 3.94Å; W304-M463 HydrophobicContact CZ3-SD 4.33Å; W304-R464 WeakPolarHBondContact CZ2-O 3.35Å; W304-R464 PolarHBondContact NE1-O 3.07Å
305	E	93.1	Very high	93.2	Very high	35 Å²	35	44.6 Å²	44.6	16%	0.164	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-7.5	168.3	-62.7	-177.7	145.2	0	0	111.7	D303 W307 A422 W423	D303-E305 PolarHBondContact O-N 3.05Å; D303-E305 WeakPolarHBondContact OD1-CA 3.36Å; D303-E305 WeakPolarHBondContact OD1-CB 3.24Å; D303-E305 PolarHBondContact OD1-N 3.17Å; E305-W307 VanDerWaalsContact C-N 3.34Å; E305-W307 VanDerWaalsContact CB-CD1 3.42Å; E305-W307 HydrophobicContact CB-CG 4.35Å; E305-W307 PolarHBondContact OE2-NE1 2.88Å; E305-W307 VanDerWaalsContact OE2-NE1 3.08Å; E305-A422 HydrophobicContact CG-CB 3.59Å; E305-W423 HydrophobicContact CB-CZ2 4.12Å; E305-W423 PolarHBondContact O-NE1 2.9Å; E305-W423 VanDerWaalsContact O-NE1 3.12Å
306	L	94.9	Very high	93	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.031	23%	0.233	C	C	.	.			trans	69.9	26.3	-172.5	-45.1	-170.8	0	0	0	113.4	F302 D303 V361 A404 V407 M412 V419	F302-L306 HydrophobicContact CD2-CD2 3.67Å; F302-L306 HydrophobicContact CE2-CD2 3.77Å; D303-L306 WeakPolarHBondContact O-CA 3.42Å; D303-L306 PolarHBondContact O-N 3Å; D303-L306 PolarHBondContact OD1-N 3.34Å; D303-L306 VanDerWaalsContact OD1-N 3.15Å; L306-V361 HydrophobicContact CB-CB 4.47Å; L306-V361 HydrophobicContact CB-CG1 4.26Å; L306-V361 HydrophobicContact CB-CG2 4.44Å; L306-V361 HydrophobicContact CD1-CG1 4.45Å; L306-V361 HydrophobicContact CD2-CG1 4.13Å; L306-A404 HydrophobicContact CD1-CB 3.82Å; L306-A404 HydrophobicContact CG-CB 4.08Å; L306-V407 HydrophobicContact CD1-CB 3.68Å; L306-V407 HydrophobicContact CD1-CG1 3.88Å; L306-V407 HydrophobicContact CD1-CG2 4Å; L306-M412 HydrophobicContact CD2-CE 4.12Å; L306-M412 HydrophobicContact CD2-SD 4.17Å; L306-V419 HydrophobicContact CD2-CG2 4.23Å
307	W	91.8	Very high	93.1	Very high	93 Å²	93	42.1 Å²	42.1	35%	0.352	21%	0.206	S	C	.	.			trans	-76.8	138.7	166.1	-60.8	118.1	0	0	0	110.4	F302 D303 E305 V400 W423	F302-W307 CarbonylContact C-O 3.59Å; F302-W307 WeakPolarHBondContact CA-O 3.49Å; F302-W307 VanDerWaalsContact CB-O 3.29Å; F302-W307 WeakPolarHBondContact CB-O 3.48Å; D303-W307 PolarHBondContact N-O 2.77Å; D303-W307 PolarHBondContact OD1-N 2.77Å; E305-W307 VanDerWaalsContact C-N 3.34Å; E305-W307 VanDerWaalsContact CB-CD1 3.42Å; E305-W307 HydrophobicContact CB-CG 4.35Å; E305-W307 PolarHBondContact OE2-NE1 2.88Å; E305-W307 VanDerWaalsContact OE2-NE1 3.08Å; W307-V400 HydrophobicContact CH2-CB 4.25Å; W307-V400 HydrophobicContact CH2-CG1 3.69Å; W307-V400 HydrophobicContact CH2-CG2 4.04Å; W307-V400 HydrophobicContact CZ2-CG1 3.98Å; W307-V400 HydrophobicContact CZ3-CG1 4.09Å; W307-V400 HydrophobicContact CZ3-CG2 4.46Å; W307-W423 AromaticContact CZ2-CH2 3.98Å; W307-W423 HydrophobicContact CZ2-CH2 3.98Å; W307-W423 HydrophobicContact CZ2-CZ2 4.38Å
308	C	92.2	Very high	92.8	Very high	44 Å²	44	47 Å²	47	30%	0.297	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	144.4	179.6	-73.1	0	0	0	0	112.5	G301 I333 N360	G301-C308 WeakPolarHBondContact O-CA 3.4Å; C308-I333 HydrophobicContact CB-CD1 4.02Å; C308-I333 HydrophobicContact CB-CG1 3.82Å; C308-N360 PolarHBondContact SG-ND2 3.44Å
309	R	91.7	Very high	92.7	Very high	79 Å²	79	53.7 Å²	53.7	30%	0.298	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	143.6	178.6	-64.7	179.3	66.1	114.4	-10.3	110.1	G301 D527	G301-R309 PolarHBondContact N-O 2.9Å; G301-R309 PolarHBondContact O-N 3.15Å; R309-D527 IonicContact NH2-OD2 3.24Å; R309-D527 PolarHBondContact NH2-OD2 2.74Å
310	Y	92.7	Very high	92.4	Very high	99 Å²	99	62 Å²	62	39%	0.388	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	135.5	162.4	-69.3	-73.7	0	0	0	109.2	Y295 I333	Y295-Y310 HydrophobicContact CD2-CE2 4.12Å; Y295-Y310 AromaticContact CD2-CZ 3.99Å; Y295-Y310 AromaticContact CE2-CE2 3.95Å; Y295-Y310 HydrophobicContact CE2-CE2 3.95Å; Y310-I333 HydrophobicContact CD1-CD1 4.06Å; Y310-I333 HydrophobicContact CE1-CD1 3.85Å; Y310-I333 HydrophobicContact CE2-CD1 4.32Å; Y310-I333 HydrophobicContact CG-CD1 4.4Å
311	L	92.3	Very high	92.1	Very high	24 Å²	24	65.1 Å²	65.1	13%	0.126	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	154.2	177.9	-57.5	178.5	0	0	0	109.6	S298 A299 P330 Y460 T524	S298-L311 CarbonylContact C-O 3.57Å; S298-L311 VanDerWaalsContact CA-O 3.31Å; S298-L311 WeakPolarHBondContact CA-O 3.39Å; S298-L311 VanDerWaalsContact CB-O 3.32Å; S298-L311 WeakPolarHBondContact CB-O 3.35Å; A299-L311 HydrophobicContact CB-CB 4.15Å; A299-L311 PolarHBondContact N-O 2.85Å; A299-L311 PolarHBondContact O-N 3.4Å; L311-P330 HydrophobicContact CD1-CG 4.06Å; L311-Y460 HydrophobicContact CD1-CD2 4.18Å; L311-Y460 HydrophobicContact CD1-CE2 3.38Å; L311-Y460 HydrophobicContact CD2-CE2 4.35Å; L311-Y460 HydrophobicContact CG-CE2 4.49Å; L311-T524 HydrophobicContact CD2-CG2 4.43Å
312	N	91.9	Very high	92	Very high	134 Å²	134	69.1 Å²	69.1	72%	0.717	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-58.3	138.7	164.3	-71.1	-49.3	0	0	0	109.7
313	P	92.7	Very high	91.8	Very high	6 Å²	6	75.2 Å²	75.2	4%	0.039	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-53.9	150.6	171	-25.7	33.8	0	0	0	111.4	L297 K315 W317 W318 I327	L297-P313 WeakPolarHBondContact O-CD 3.42Å; L297-P313 VanDerWaalsContact O-CG 3.27Å; L297-P313 WeakPolarHBondContact O-CG 3.14Å; P313-K315 PolarHBondContact O-N 2.66Å; P313-W317 HydrophobicContact CB-CB 4.33Å; P313-W317 HydrophobicContact CB-CD2 4.03Å; P313-W317 HydrophobicContact CB-CE3 3.68Å; P313-W317 HydrophobicContact CB-CG 4.32Å; P313-W317 HydrophobicContact CB-CZ3 4.29Å; P313-W317 HydrophobicContact CG-CE3 4.13Å; P313-W317 HydrophobicContact CG-CZ3 4.23Å; P313-W318 HydrophobicContact CB-CZ2 4.5Å; P313-W318 HydrophobicContact CG-CZ2 3.87Å; P313-W318 VanDerWaalsContact O-CD1 3.29Å; P313-W318 PolarHBondContact O-NE1 2.82Å; P313-I327 HydrophobicContact CB-CD1 4.5Å; P313-I327 HydrophobicContact CB-CG1 4.48Å; P313-I327 HydrophobicContact CB-CG2 4.04Å; P313-I327 HydrophobicContact CG-CD1 4.1Å; P313-I327 HydrophobicContact CG-CG2 4.5Å
314	P	89.9	Confident	91.8	Very high	33 Å²	33	74.9 Å²	74.9	21%	0.214	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-52.7	143.2	178.5	-26.6	34.2	0	0	0	111.8	T316 W317 W318	P314-T316 PolarHBondContact O-N 3.41Å; P314-W317 WeakPolarHBondContact O-CA 3.48Å; P314-W317 VanDerWaalsContact O-CB 3.25Å; P314-W317 WeakPolarHBondContact O-CB 3.35Å; P314-W317 PolarHBondContact O-N 3.16Å; P314-W318 PolarHBondContact O-N 3.08Å
315	K	88.8	Confident	91.8	Very high	154 Å²	154	75.1 Å²	75.1	67%	0.67	37%	0.365	S	S	*	.	H	α-helix	trans	-52.1	-36.8	179.9	-68.7	177.8	-179	170	0	112.5	P313 W317 W318 H319	P313-K315 PolarHBondContact O-N 2.66Å; K315-W317 VanDerWaalsContact C-N 3.27Å; K315-W317 PolarHBondContact O-N 3.07Å; K315-W318 PolarHBondContact O-N 3.34Å; K315-H319 PolarHBondContact O-CD2 3.16Å; K315-H319 PolarHBondContact O-N 3.44Å
316	T	90.2	Very high	92	Very high	89 Å²	89	75.3 Å²	75.3	55%	0.546	37%	0.37	S	S	.	.	H	α-helix	trans	-61.2	-32.3	176.2	53.1	0	0	0	0	113.3	P314 R320	P314-T316 PolarHBondContact O-N 3.41Å; T316-R320 WeakPolarHBondContact O-CG 3.39Å; T316-R320 PolarHBondContact O-N 3.04Å
317	W	94.1	Very high	92.1	Very high	10 Å²	10	75 Å²	75	4%	0.038	37%	0.368	C	S	.	.	H	α-helix	trans	-69.7	-45.8	175.1	-174.6	95.5	0	0	0	110.9	L297 P313 P314 K315 H319 R320 K323 A325 P326 I327 P378	L297-W317 HydrophobicContact CD1-CH2 3.89Å; L297-W317 HydrophobicContact CD1-CZ2 4.37Å; P313-W317 HydrophobicContact CB-CB 4.33Å; P313-W317 HydrophobicContact CB-CD2 4.03Å; P313-W317 HydrophobicContact CB-CE3 3.68Å; P313-W317 HydrophobicContact CB-CG 4.32Å; P313-W317 HydrophobicContact CB-CZ3 4.29Å; P313-W317 HydrophobicContact CG-CE3 4.13Å; P313-W317 HydrophobicContact CG-CZ3 4.23Å; P314-W317 WeakPolarHBondContact O-CA 3.48Å; P314-W317 VanDerWaalsContact O-CB 3.25Å; P314-W317 WeakPolarHBondContact O-CB 3.35Å; P314-W317 PolarHBondContact O-N 3.16Å; K315-W317 VanDerWaalsContact C-N 3.27Å; K315-W317 PolarHBondContact O-N 3.07Å; W317-H319 VanDerWaalsContact C-N 3.32Å; W317-H319 PolarHBondContact O-N 2.91Å; W317-R320 WeakPolarHBondContact O-CB 3.36Å; W317-R320 PolarHBondContact O-N 3.24Å; W317-R320 VanDerWaalsContact O-N 3.1Å; W317-K323 HydrophobicContact CH2-CB 4.32Å; W317-K323 HydrophobicContact CH2-CG 4.34Å; W317-A325 PolarHBondContact NE1-O 3.39Å; W317-P326 PolarHBondContact NE1-O 2.67Å; W317-I327 HydrophobicContact CD2-CG1 4.16Å; W317-I327 HydrophobicContact CG-CG1 4.34Å; W317-I327 HydrophobicContact CZ2-CD1 4.17Å; W317-I327 HydrophobicContact CZ2-CG1 3.96Å; W317-P378 HydrophobicContact CZ2-CG 4.31Å
318	W	88.9	Confident	92.3	Very high	127 Å²	127	75.7 Å²	75.7	48%	0.481	38%	0.376	S	S	.	.	H	α-helix	trans	-59.5	-41.6	176	-71.3	110.2	0	0	0	112.6	P313 P314 K315 R320 G321	P313-W318 HydrophobicContact CB-CZ2 4.5Å; P313-W318 HydrophobicContact CG-CZ2 3.87Å; P313-W318 VanDerWaalsContact O-CD1 3.29Å; P313-W318 PolarHBondContact O-NE1 2.82Å; P314-W318 PolarHBondContact O-N 3.08Å; K315-W318 PolarHBondContact O-N 3.34Å; W318-R320 PolarHBondContact O-N 2.99Å; W318-G321 PolarHBondContact O-N 3.41Å; W318-G321 VanDerWaalsContact O-N 3.08Å
319	H	91.1	Very high	92.5	Very high	160 Å²	160	73.6 Å²	73.6	74%	0.741	36%	0.361	S	S	*	.	H	α-helix	trans	-63.6	-22.5	177.8	-68.9	-45	0	0	0	114.1	K315 W317 G321	K315-H319 PolarHBondContact O-CD2 3.16Å; K315-H319 PolarHBondContact O-N 3.44Å; W317-H319 VanDerWaalsContact C-N 3.32Å; W317-H319 PolarHBondContact O-N 2.91Å; H319-G321 VanDerWaalsContact C-N 3.29Å
320	R	90.6	Very high	92.8	Very high	178 Å²	178	70.2 Å²	70.2	67%	0.672	35%	0.35	S	S	*	.	H	α-helix	trans	-73.2	-21.6	175.2	-68.8	173.1	-175.4	-172.9	1.5	112.8	T316 W317 W318 N322	T316-R320 WeakPolarHBondContact O-CG 3.39Å; T316-R320 PolarHBondContact O-N 3.04Å; W317-R320 WeakPolarHBondContact O-CB 3.36Å; W317-R320 PolarHBondContact O-N 3.24Å; W317-R320 VanDerWaalsContact O-N 3.1Å; W318-R320 PolarHBondContact O-N 2.99Å; R320-N322 PolarHBondContact O-N 3.2Å
321	G	88.4	Confident	92.9	Very high	68 Å²	68	65.5 Å²	65.5	70%	0.701	33%	0.331	S	S	*	.			trans	66	4.2	-179	0	0	0	0	0	115.5	W318 H319	W318-G321 PolarHBondContact O-N 3.41Å; W318-G321 VanDerWaalsContact O-N 3.08Å; H319-G321 VanDerWaalsContact C-N 3.29Å
322	N	92	Very high	92.9	Very high	83 Å²	83	64.4 Å²	64.4	44%	0.444	33%	0.325	S	S	.	.			trans	-101	98.7	-179.1	-177.8	1.6	0	0	0	110.9	R320 S324 A325	R320-N322 PolarHBondContact O-N 3.2Å; N322-S324 PolarHBondContact O-N 2.97Å; N322-S324 VanDerWaalsContact O-N 3.16Å; N322-S324 WeakPolarHBondContact OD1-CB 3.17Å; N322-S324 PolarHBondContact OD1-N 3.31Å; N322-A325 HydrophobicContact CB-CB 4.26Å; N322-A325 WeakPolarHBondContact O-CB 3.35Å; N322-A325 PolarHBondContact O-N 2.72Å; N322-A325 VanDerWaalsContact O-N 3.11Å
323	K	92.4	Very high	92.8	Very high	129 Å²	129	59.4 Å²	59.4	56%	0.561	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-12.1	179.1	-64.6	-175.6	179.5	-177.8	0	114.5	P143 L297 W317 P378	P143-K323 HydrophobicContact CB-CB 4.2Å; L297-K323 HydrophobicContact CD1-CB 4.17Å; W317-K323 HydrophobicContact CH2-CB 4.32Å; W317-K323 HydrophobicContact CH2-CG 4.34Å; K323-P378 VanDerWaalsContact O-CB 3.23Å; K323-P378 WeakPolarHBondContact O-CB 3.46Å; K323-P378 WeakPolarHBondContact O-CG 3.48Å
324	S	94.3	Very high	92.3	Very high	15 Å²	15	60 Å²	60	11%	0.105	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-7.9	176	-59.9	0	0	0	0	113	G145 C146 N322	G145-S324 VanDerWaalsContact C-OG 3.27Å; G145-S324 WeakPolarHBondContact CA-OG 3.39Å; C146-S324 PolarHBondContact N-OG 3.08Å; C146-S324 PolarHBondContact SG-OG 3.04Å; N322-S324 PolarHBondContact O-N 2.97Å; N322-S324 VanDerWaalsContact O-N 3.16Å; N322-S324 WeakPolarHBondContact OD1-CB 3.17Å; N322-S324 PolarHBondContact OD1-N 3.31Å
325	A	94.9	Very high	92.5	Very high	11 Å²	11	58.4 Å²	58.4	9%	0.091	30%	0.295	C	S	.	.	S	Bend	trans	-71.4	145.9	-178	0	0	0	0	0	111.8	W317 N322 P378	W317-A325 PolarHBondContact NE1-O 3.39Å; N322-A325 HydrophobicContact CB-CB 4.26Å; N322-A325 WeakPolarHBondContact O-CB 3.35Å; N322-A325 PolarHBondContact O-N 2.72Å; N322-A325 VanDerWaalsContact O-N 3.11Å; A325-P378 WeakPolarHBondContact O-CD 3.5Å; A325-P378 WeakPolarHBondContact O-CG 3.12Å
326	P	96.4	Very high	92.9	Very high	39 Å²	39	51.1 Å²	51.1	25%	0.253	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-53.8	140	171.3	-24.5	33.1	0	0	0	112.2	W317 L377	W317-P326 PolarHBondContact NE1-O 2.67Å; P326-L377 HydrophobicContact CB-CD2 3.55Å; P326-L377 HydrophobicContact CG-CD2 3.7Å
327	I	97.3	Very high	93.3	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	119.2	175.4	-60.4	165.2	0	0	0	107.6	L297 A299 P313 W317 E375 V376 P378	L297-I327 HydrophobicContact CB-CD1 4.17Å; A299-I327 HydrophobicContact CB-CG2 3.75Å; P313-I327 HydrophobicContact CB-CD1 4.5Å; P313-I327 HydrophobicContact CB-CG1 4.48Å; P313-I327 HydrophobicContact CB-CG2 4.04Å; P313-I327 HydrophobicContact CG-CD1 4.1Å; P313-I327 HydrophobicContact CG-CG2 4.5Å; W317-I327 HydrophobicContact CD2-CG1 4.16Å; W317-I327 HydrophobicContact CG-CG1 4.34Å; W317-I327 HydrophobicContact CZ2-CD1 4.17Å; W317-I327 HydrophobicContact CZ2-CG1 3.96Å; I327-E375 CarbonylContact O-C 3.48Å; I327-E375 VanDerWaalsContact O-CA 3.31Å; I327-E375 WeakPolarHBondContact O-CA 3.35Å; I327-V376 HydrophobicContact CB-CB 4.3Å; I327-V376 PolarHBondContact N-O 3.33Å; I327-V376 PolarHBondContact O-N 2.83Å; I327-P378 HydrophobicContact CD1-CG 3.9Å; I327-P378 HydrophobicContact CG1-CG 4.17Å
328	Q	95.9	Very high	93.5	Very high	108 Å²	108	46.5 Å²	46.5	51%	0.505	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	134.5	170.2	-72.9	-174.7	-30.6	0	0	109.5
329	S	96.8	Very high	94	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.			trans	-131.5	128.4	-168.9	-173.1	0	0	0	0	110.9	Q300 A331 W368 V374	Q300-S329 WeakPolarHBondContact CA-OG 3.41Å; Q300-S329 WeakPolarHBondContact CB-OG 3.48Å; Q300-S329 PolarHBondContact N-OG 2.87Å; Q300-S329 PolarHBondContact O-OG 2.92Å; S329-A331 VanDerWaalsContact C-N 3.3Å; S329-A331 PolarHBondContact O-N 2.84Å; S329-A331 PolarHBondContact OG-O 3.35Å; S329-W368 PolarHBondContact O-NE1 3.27Å; S329-V374 PolarHBondContact N-O 2.7Å; S329-V374 WeakPolarHBondContact O-CB 3.24Å
330	P	96.4	Very high	94.4	Very high	8 Å²	8	36.8 Å²	36.8	5%	0.052	19%	0.194	C	C	.	.	S	Bend	trans	-56	-41.8	175.4	-28.5	33.5	0	0	0	114.1	Q300 L311 W368 Y455 I459 Y460	Q300-P330 WeakPolarHBondContact O-CD 3.5Å; L311-P330 HydrophobicContact CD1-CG 4.06Å; P330-W368 VanDerWaalsContact O-CD1 3.32Å; P330-Y455 VanDerWaalsContact C-OH 3.28Å; P330-Y455 VanDerWaalsContact CB-OH 3.29Å; P330-Y455 WeakPolarHBondContact CB-OH 3.26Å; P330-Y455 PolarHBondContact O-OH 3.3Å; P330-I459 HydrophobicContact CB-CG2 4.34Å; P330-Y460 HydrophobicContact CB-CD1 3.78Å; P330-Y460 HydrophobicContact CB-CD2 4.27Å; P330-Y460 HydrophobicContact CB-CE1 4.33Å; P330-Y460 HydrophobicContact CB-CG 3.73Å; P330-Y460 HydrophobicContact CG-CD1 4.26Å; P330-Y460 HydrophobicContact CG-CD2 3.83Å; P330-Y460 HydrophobicContact CG-CE2 4.36Å; P330-Y460 HydrophobicContact CG-CG 3.78Å
331	A	95.2	Very high	94.8	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-132.8	-179	-176.4	0	0	0	0	0	112.2	Q300 F302 S329 V374	Q300-A331 WeakPolarHBondContact CB-O 3.41Å; Q300-A331 PolarHBondContact O-N 3.36Å; Q300-A331 PolarHBondContact OE1-O 2.93Å; F302-A331 HydrophobicContact CD1-CB 3.76Å; F302-A331 HydrophobicContact CE1-CB 4.3Å; S329-A331 VanDerWaalsContact C-N 3.3Å; S329-A331 PolarHBondContact O-N 2.84Å; S329-A331 PolarHBondContact OG-O 3.35Å; A331-V374 WeakPolarHBondContact O-CG1 3.41Å
332	L	92.8	Very high	95.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.			trans	-113.1	143.1	175.2	-68.8	157.7	0	0	0	109.2	I277 Q300 F336 N360 L363 V374	I277-L332 HydrophobicContact CG2-CD1 3.85Å; I277-L332 HydrophobicContact CG2-CD2 3.95Å; Q300-L332 VanDerWaalsContact OE1-CA 3.26Å; L332-F336 HydrophobicContact CD2-CB 4.06Å; L332-N360 HydrophobicContact CB-CB 4.41Å; L332-N360 WeakPolarHBondContact O-CB 3.38Å; L332-N360 PolarHBondContact O-ND2 3.06Å; L332-L363 HydrophobicContact CD1-CB 4.2Å; L332-L363 HydrophobicContact CD1-CD2 3.52Å; L332-L363 HydrophobicContact CD1-CG 3.67Å; L332-V374 HydrophobicContact CD1-CG2 4.41Å; L332-V374 HydrophobicContact CD2-CG1 3.43Å; L332-V374 VanDerWaalsContact CD2-CG1 3.43Å; L332-V374 HydrophobicContact CG-CG1 3.66Å; L332-V374 HydrophobicContact CG-CG2 4.28Å
333	I	89.1	Confident	95.6	Very high	30 Å²	30	25.3 Å²	25.3	15%	0.154	13%	0.129	C	C	.	.			trans	-111.2	109.2	169.9	-59.8	-176.4	0	0	0	108.5	F282 Q300 C308 Y310 C335	F282-I333 VanDerWaalsContact CE2-O 3.24Å; F282-I333 WeakPolarHBondContact CE2-O 3.05Å; Q300-I333 HydrophobicContact CB-CD1 3.9Å; Q300-I333 HydrophobicContact CB-CG1 3.76Å; Q300-I333 HydrophobicContact CG-CB 4.36Å; Q300-I333 HydrophobicContact CG-CD1 3.69Å; Q300-I333 HydrophobicContact CG-CG1 3.72Å; C308-I333 HydrophobicContact CB-CD1 4.02Å; C308-I333 HydrophobicContact CB-CG1 3.82Å; Y310-I333 HydrophobicContact CD1-CD1 4.06Å; Y310-I333 HydrophobicContact CE1-CD1 3.85Å; Y310-I333 HydrophobicContact CE2-CD1 4.32Å; Y310-I333 HydrophobicContact CG-CD1 4.4Å; I333-C335 PolarHBondContact O-N 2.81Å
334	G	83.9	Confident	95.8	Very high	17 Å²	17	24.1 Å²	24.1	18%	0.175	13%	0.125	C	C	.	.	S	Bend	trans	66.3	-105	171.4	0	0	0	0	0	113.6	R237 F336	R237-G334 PolarHBondContact NH1-O 2.9Å; R237-G334 PolarHBondContact NH2-O 3.03Å; G334-F336 WeakPolarHBondContact O-CD1 3.4Å
335	C	93.2	Very high	96	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	14%	0.144	C	C	.	.			trans	-83.5	143.7	-167.5	-52.8	0	0	0	0	113	L251 F252 D253 F282 I333	L251-C335 WeakPolarHBondContact O-CA 3.17Å; L251-C335 WeakPolarHBondContact O-CB 3.27Å; F252-C335 HydrophobicContact CD1-CB 3.22Å; F252-C335 HydrophobicContact CE1-CB 3.59Å; F252-C335 HydrophobicContact CG-CB 4.23Å; D253-C335 PolarHBondContact N-SG 3.45Å; F282-C335 HydrophobicContact CE1-CB 4Å; F282-C335 HydrophobicContact CZ-CB 3.83Å; I333-C335 PolarHBondContact O-N 2.81Å
336	F	97.5	Very high	96.1	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	163.1	-178	62.9	-89.2	0	0	0	112.9	L251 I277 I278 L332 G334 V338 F343 L349 L363	L251-F336 HydrophobicContact CB-CE1 4.5Å; L251-F336 HydrophobicContact CB-CZ 4.41Å; L251-F336 HydrophobicContact CD1-CD2 4.38Å; L251-F336 HydrophobicContact CD1-CE1 4.27Å; L251-F336 HydrophobicContact CD1-CE2 3.5Å; L251-F336 HydrophobicContact CD1-CZ 3.43Å; L251-F336 VanDerWaalsContact CD1-CZ 3.43Å; L251-F336 PolarHBondContact N-O 3.39Å; L251-F336 PolarHBondContact O-N 3.24Å; L251-F336 VanDerWaalsContact O-N 3.16Å; I277-F336 HydrophobicContact CG2-CB 3.9Å; I277-F336 HydrophobicContact CG2-CD2 3.66Å; I277-F336 HydrophobicContact CG2-CG 4.04Å; I278-F336 CarbonylContact O-C 3.57Å; I278-F336 WeakPolarHBondContact O-CA 3.41Å; L332-F336 HydrophobicContact CD2-CB 4.06Å; G334-F336 WeakPolarHBondContact O-CD1 3.4Å; F336-V338 HydrophobicContact CD2-CB 4.34Å; F336-V338 HydrophobicContact CD2-CG1 4.25Å; F336-V338 HydrophobicContact CE2-CB 4.48Å; F336-V338 HydrophobicContact CE2-CG1 4.01Å; F336-F343 AromaticContact CE2-CE2 3.97Å; F336-F343 HydrophobicContact CE2-CE2 3.97Å; F336-F343 HydrophobicContact CE2-CZ 4.02Å; F336-F343 HydrophobicContact CZ-CE2 4.07Å; F336-F343 AromaticContact CZ-CZ 3.83Å; F336-F343 HydrophobicContact CZ-CZ 3.83Å; F336-L349 HydrophobicContact CZ-CD2 4.49Å; F336-L363 HydrophobicContact CD1-CD2 4.26Å; F336-L363 HydrophobicContact CD2-CD2 4.23Å; F336-L363 HydrophobicContact CE1-CD2 3.81Å; F336-L363 HydrophobicContact CE2-CD2 3.75Å; F336-L363 HydrophobicContact CG-CD2 4.46Å; F336-L363 HydrophobicContact CZ-CD2 3.52Å
337	V	98.7	Very high	96.2	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.4	178.9	-167.8	0	0	0	0	109.5	V248 V249 A250 F252 W262 I266 I270 I278	V248-V337 HydrophobicContact CG1-CG1 3.38Å; V249-V337 WeakPolarHBondContact O-CA 3.43Å; A250-V337 HydrophobicContact CB-CB 4.39Å; A250-V337 HydrophobicContact CB-CG1 4.02Å; A250-V337 HydrophobicContact CB-CG2 3.78Å; F252-V337 HydrophobicContact CZ-CG2 4.05Å; W262-V337 HydrophobicContact CZ3-CG2 4.33Å; I266-V337 HydrophobicContact CD1-CG2 3.97Å; I266-V337 HydrophobicContact CG2-CB 3.6Å; I266-V337 HydrophobicContact CG2-CG1 3.61Å; I266-V337 HydrophobicContact CG2-CG2 3.96Å; I270-V337 HydrophobicContact CD1-CB 4.27Å; I270-V337 HydrophobicContact CD1-CG1 3.8Å; I278-V337 PolarHBondContact N-O 3.26Å; I278-V337 PolarHBondContact O-N 3.03Å
338	V	98.7	Very high	96.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	151	-171.6	65.4	0	0	0	0	111.7	V248 V249 I277 F336 R340 Y342 F343	V248-V338 WeakPolarHBondContact CG1-O 3.41Å; V249-V338 PolarHBondContact N-O 3.47Å; V249-V338 PolarHBondContact O-N 2.79Å; I277-V338 HydrophobicContact CD1-CB 4.47Å; I277-V338 HydrophobicContact CD1-CG2 3.87Å; I277-V338 HydrophobicContact CG1-CB 4.41Å; I277-V338 HydrophobicContact CG1-CG2 3.8Å; I277-V338 HydrophobicContact CG2-CB 4.44Å; F336-V338 HydrophobicContact CD2-CB 4.34Å; F336-V338 HydrophobicContact CD2-CG1 4.25Å; F336-V338 HydrophobicContact CE2-CB 4.48Å; F336-V338 HydrophobicContact CE2-CG1 4.01Å; V338-R340 PolarHBondContact O-N 3.29Å; V338-Y342 HydrophobicContact CG2-CD1 4.03Å; V338-F343 HydrophobicContact CG1-CB 3.84Å; V338-F343 HydrophobicContact CG1-CD1 4.31Å; V338-F343 HydrophobicContact CG1-CD2 4.2Å; V338-F343 HydrophobicContact CG1-CG 3.89Å; V338-F343 HydrophobicContact CG2-CB 3.98Å; V338-F343 HydrophobicContact CG2-CD2 4.4Å; V338-F343 HydrophobicContact CG2-CG 4.48Å
339	D	98.8	Very high	96.3	Very high	21 Å²	21	23.2 Å²	23.2	11%	0.112	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	129.7	165.9	176.6	-71.7	0	0	0	110.2	I270 R274 L341 Y342 F343	I270-D339 HydrophobicContact CG2-CB 3.96Å; R274-D339 HydrophobicContact CB-CB 4.04Å; R274-D339 IonicContact CZ-OD1 2.93Å; R274-D339 IonicContact NH1-OD1 3.77Å; R274-D339 PolarHBondContact NH1-OD1 3.26Å; R274-D339 IonicContact NH1-OD2 3.69Å; R274-D339 PolarHBondContact NH1-OD2 2.91Å; R274-D339 IonicContact NH2-OD1 2.85Å; R274-D339 WeakPolarHBondContact O-CB 3.36Å; D339-L341 VanDerWaalsContact C-N 3.34Å; D339-L341 PolarHBondContact O-N 2.86Å; D339-L341 PolarHBondContact OD1-N 3.24Å; D339-Y342 PolarHBondContact O-N 3.19Å; D339-Y342 PolarHBondContact OD1-N 3.28Å; D339-F343 PolarHBondContact O-N 2.86Å
340	R	98.6	Very high	96.3	Very high	62 Å²	62	23.8 Å²	23.8	23%	0.234	12%	0.123	C	C	.	.	H	α-helix	trans	-60.7	-43.2	-171.3	-169.6	173.9	52.6	73.1	2.5	112.3	W241 A244 A246 P247 V249 V338	W241-R340 HydrophobicContact CZ2-CG 4.09Å; W241-R340 WeakPolarHBondContact CZ2-O 3.12Å; W241-R340 VanDerWaalsContact NE1-CG 3.29Å; W241-R340 PolarHBondContact NE1-O 3.09Å; A244-R340 WeakPolarHBondContact O-CD 3.32Å; A246-R340 VanDerWaalsContact O-CD 3.28Å; A246-R340 WeakPolarHBondContact O-CD 3.43Å; A246-R340 PolarHBondContact O-NE 2.83Å; P247-R340 WeakPolarHBondContact O-CB 3.26Å; P247-R340 PolarHBondContact O-N 2.96Å; V249-R340 HydrophobicContact CG2-CB 3.81Å; V249-R340 HydrophobicContact CG2-CG 3.65Å; V338-R340 PolarHBondContact O-N 3.29Å
341	L	98.6	Very high	96.3	Very high	77 Å²	77	26.7 Å²	26.7	40%	0.403	14%	0.136	S	C	.	.	H	α-helix	trans	-76.5	-39.3	-177.1	-63.9	178.1	0	0	0	110.8	D339 F343 E344 E345	D339-L341 VanDerWaalsContact C-N 3.34Å; D339-L341 PolarHBondContact O-N 2.86Å; D339-L341 PolarHBondContact OD1-N 3.24Å; L341-F343 VanDerWaalsContact C-N 3.26Å; L341-F343 PolarHBondContact O-N 3.29Å; L341-E344 WeakPolarHBondContact O-CB 3.3Å; L341-E344 PolarHBondContact O-N 3.18Å; L341-E345 VanDerWaalsContact O-CG 3.31Å; L341-E345 WeakPolarHBondContact O-CG 3.41Å; L341-E345 PolarHBondContact O-N 2.92Å
342	Y	98.7	Very high	96.4	Very high	12 Å²	12	27.8 Å²	27.8	5%	0.047	15%	0.148	C	C	.	.	H	α-helix	trans	-60.1	-41.7	177.1	175.8	-118.5	0	0	0	110.7	R274 T275 I277 V338 D339 E344 E345 I346 G372	R274-Y342 WeakPolarHBondContact O-CB 2.88Å; R274-Y342 VanDerWaalsContact O-CD1 3.31Å; R274-Y342 WeakPolarHBondContact O-CD1 3.49Å; T275-Y342 HydrophobicContact CG2-CD2 4.19Å; T275-Y342 HydrophobicContact CG2-CE2 3.95Å; T275-Y342 VanDerWaalsContact O-CE1 3.24Å; T275-Y342 WeakPolarHBondContact O-CE1 3.29Å; T275-Y342 PolarHBondContact O-OH 2.97Å; I277-Y342 HydrophobicContact CG1-CE1 4.24Å; V338-Y342 HydrophobicContact CG2-CD1 4.03Å; D339-Y342 PolarHBondContact O-N 3.19Å; D339-Y342 PolarHBondContact OD1-N 3.28Å; Y342-E344 VanDerWaalsContact C-N 3.28Å; Y342-E344 PolarHBondContact O-N 3.5Å; Y342-E345 WeakPolarHBondContact O-CB 3.27Å; Y342-E345 PolarHBondContact O-N 2.88Å; Y342-E345 VanDerWaalsContact O-N 3.16Å; Y342-I346 HydrophobicContact CD2-CG2 4Å; Y342-I346 HydrophobicContact CE1-CD1 3.97Å; Y342-I346 HydrophobicContact CE1-CG2 4.39Å; Y342-I346 HydrophobicContact CE2-CG2 3.38Å; Y342-I346 WeakPolarHBondContact O-CG1 3.31Å; Y342-I346 PolarHBondContact O-N 2.74Å; Y342-G372 WeakPolarHBondContact OH-CA 3.33Å
343	F	98.5	Very high	96.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.9	-39.2	177.9	-166	-134.1	0	0	0	112.7	W241 L251 F336 V338 D339 L341 I346 G347 L348 L349 L363	W241-F343 AromaticContact CD1-CD1 3.53Å; W241-F343 AromaticContact CG-CD1 3.97Å; W241-F343 HydrophobicContact CG-CD1 3.97Å; W241-F343 HydrophobicContact CG-CE1 4.4Å; W241-F343 AromaticContact NE1-CD1 3.81Å; L251-F343 HydrophobicContact CD1-CE1 3.95Å; L251-F343 HydrophobicContact CD1-CZ 4.24Å; F336-F343 AromaticContact CE2-CE2 3.97Å; F336-F343 HydrophobicContact CE2-CE2 3.97Å; F336-F343 HydrophobicContact CE2-CZ 4.02Å; F336-F343 HydrophobicContact CZ-CE2 4.07Å; F336-F343 AromaticContact CZ-CZ 3.83Å; F336-F343 HydrophobicContact CZ-CZ 3.83Å; V338-F343 HydrophobicContact CG1-CB 3.84Å; V338-F343 HydrophobicContact CG1-CD1 4.31Å; V338-F343 HydrophobicContact CG1-CD2 4.2Å; V338-F343 HydrophobicContact CG1-CG 3.89Å; V338-F343 HydrophobicContact CG2-CB 3.98Å; V338-F343 HydrophobicContact CG2-CD2 4.4Å; V338-F343 HydrophobicContact CG2-CG 4.48Å; D339-F343 PolarHBondContact O-N 2.86Å; L341-F343 VanDerWaalsContact C-N 3.26Å; L341-F343 PolarHBondContact O-N 3.29Å; F343-I346 HydrophobicContact CD2-CD1 4.44Å; F343-I346 WeakPolarHBondContact O-CG1 3.46Å; F343-G347 PolarHBondContact O-N 3.19Å; F343-L348 HydrophobicContact CB-CD2 4.32Å; F343-L348 HydrophobicContact CD1-CD2 3.35Å; F343-L348 HydrophobicContact CE1-CB 4.34Å; F343-L348 HydrophobicContact CE1-CD2 3.82Å; F343-L348 HydrophobicContact CG-CD2 3.9Å; F343-L348 WeakPolarHBondContact O-CA 3.47Å; F343-L348 PolarHBondContact O-N 3.44Å; F343-L349 HydrophobicContact CE2-CD2 4.29Å; F343-L349 HydrophobicContact CZ-CD2 4.02Å; F343-L349 HydrophobicContact CZ-CG 3.89Å; F343-L363 HydrophobicContact CE2-CD1 4Å; F343-L363 HydrophobicContact CE2-CD2 4.12Å
344	E	98.2	Very high	96.6	Very high	103 Å²	103	29.3 Å²	29.3	48%	0.481	15%	0.154	S	C	.	.	H	α-helix	trans	-67.5	-45	173.9	-175.5	172.9	-149.8	0	0	112.4	W241 L341 Y342 I346 G347 L348	W241-E344 HydrophobicContact CH2-CB 3.8Å; W241-E344 HydrophobicContact CH2-CG 3.89Å; W241-E344 HydrophobicContact CZ2-CB 3.59Å; W241-E344 HydrophobicContact CZ2-CG 4.21Å; L341-E344 WeakPolarHBondContact O-CB 3.3Å; L341-E344 PolarHBondContact O-N 3.18Å; Y342-E344 VanDerWaalsContact C-N 3.28Å; Y342-E344 PolarHBondContact O-N 3.5Å; E344-I346 VanDerWaalsContact C-N 3.26Å; E344-I346 PolarHBondContact O-N 2.81Å; E344-G347 WeakPolarHBondContact O-CA 3.5Å; E344-G347 PolarHBondContact O-N 3.34Å; E344-L348 HydrophobicContact CB-CD2 4.27Å
345	E	98.1	Very high	96.8	Very high	107 Å²	107	30 Å²	30	50%	0.5	16%	0.155	S	C	.	.	H	α-helix	trans	-57.4	-40	179.2	-72.7	162.7	-168.2	0	0	112.1	R274 L341 Y342 G347	R274-E345 IonicContact CZ-OE1 3.96Å; R274-E345 IonicContact CZ-OE2 2.72Å; R274-E345 IonicContact NH2-OE1 2.61Å; R274-E345 PolarHBondContact NH2-OE1 2.81Å; R274-E345 IonicContact NH2-OE2 2.92Å; R274-E345 PolarHBondContact NH2-OE2 3.03Å; L341-E345 VanDerWaalsContact O-CG 3.31Å; L341-E345 WeakPolarHBondContact O-CG 3.41Å; L341-E345 PolarHBondContact O-N 2.92Å; Y342-E345 WeakPolarHBondContact O-CB 3.27Å; Y342-E345 PolarHBondContact O-N 2.88Å; Y342-E345 VanDerWaalsContact O-N 3.16Å; E345-G347 PolarHBondContact O-N 2.94Å
346	I	97.9	Very high	96.6	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.026	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	6.3	176.3	67.1	168.6	0	0	0	113.3	I277 Y342 F343 E344 L363 R366 V367 L443	I277-I346 HydrophobicContact CD1-CD1 4.15Å; Y342-I346 HydrophobicContact CD2-CG2 4Å; Y342-I346 HydrophobicContact CE1-CD1 3.97Å; Y342-I346 HydrophobicContact CE1-CG2 4.39Å; Y342-I346 HydrophobicContact CE2-CG2 3.38Å; Y342-I346 WeakPolarHBondContact O-CG1 3.31Å; Y342-I346 PolarHBondContact O-N 2.74Å; F343-I346 HydrophobicContact CD2-CD1 4.44Å; F343-I346 WeakPolarHBondContact O-CG1 3.46Å; E344-I346 VanDerWaalsContact C-N 3.26Å; E344-I346 PolarHBondContact O-N 2.81Å; I346-L363 HydrophobicContact CD1-CD1 4.02Å; I346-R366 VanDerWaalsContact CG1-NH1 3.31Å; I346-R366 WeakPolarHBondContact O-CD 3.48Å; I346-R366 PolarHBondContact O-NH1 3.26Å; I346-V367 HydrophobicContact CD1-CG2 3.82Å; I346-L443 WeakPolarHBondContact O-CD2 3.38Å
347	G	97.5	Very high	96.2	Very high	20 Å²	20	33 Å²	33	21%	0.206	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	33.9	172.3	0	0	0	0	0	115.8	F343 E344 E345 R440	F343-G347 PolarHBondContact O-N 3.19Å; E344-G347 WeakPolarHBondContact O-CA 3.5Å; E344-G347 PolarHBondContact O-N 3.34Å; E345-G347 PolarHBondContact O-N 2.94Å; G347-R440 PolarHBondContact O-NH1 2.94Å
348	L	97.6	Very high	96	Very high	20 Å²	20	33.1 Å²	33.1	11%	0.105	17%	0.169	C	C	.	.			trans	50.6	-146.3	172.9	-54.5	174.4	0	0	0	112.2	V238 W241 F343 E344 R366	V238-L348 HydrophobicContact CG1-CD1 3.76Å; V238-L348 HydrophobicContact CG2-CB 4.26Å; W241-L348 HydrophobicContact CD2-CD2 3.64Å; W241-L348 HydrophobicContact CE3-CD1 3.89Å; W241-L348 HydrophobicContact CE3-CD2 3.79Å; W241-L348 HydrophobicContact CG-CD2 4.21Å; W241-L348 HydrophobicContact CH2-CD2 4.23Å; W241-L348 HydrophobicContact CZ2-CD2 4.07Å; W241-L348 HydrophobicContact CZ3-CD1 3.85Å; W241-L348 HydrophobicContact CZ3-CD2 4.08Å; F343-L348 HydrophobicContact CB-CD2 4.32Å; F343-L348 HydrophobicContact CD1-CD2 3.35Å; F343-L348 HydrophobicContact CE1-CB 4.34Å; F343-L348 HydrophobicContact CE1-CD2 3.82Å; F343-L348 HydrophobicContact CG-CD2 3.9Å; F343-L348 WeakPolarHBondContact O-CA 3.47Å; F343-L348 PolarHBondContact O-N 3.44Å; E344-L348 HydrophobicContact CB-CD2 4.27Å; L348-R366 PolarHBondContact O-NH1 2.82Å; L348-R366 PolarHBondContact O-NH2 2.98Å
349	L	97.4	Very high	95.8	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	17%	0.17	C	C	.	.	S	Bend	trans	-91.9	158.2	164.6	-57.9	178.7	0	0	0	110.2	I234 R237 V238 F336 F343 E351 E359 L363	I234-L349 HydrophobicContact CG2-CB 3.58Å; I234-L349 HydrophobicContact CG2-CD1 4.07Å; I234-L349 HydrophobicContact CG2-CG 4.47Å; R237-L349 HydrophobicContact CB-CD1 3.82Å; R237-L349 HydrophobicContact CG-CD1 4.29Å; V238-L349 HydrophobicContact CG2-CB 4.14Å; F336-L349 HydrophobicContact CZ-CD2 4.49Å; F343-L349 HydrophobicContact CE2-CD2 4.29Å; F343-L349 HydrophobicContact CZ-CD2 4.02Å; F343-L349 HydrophobicContact CZ-CG 3.89Å; L349-E351 PolarHBondContact O-N 2.96Å; L349-E359 HydrophobicContact CD1-CG 4.19Å; L349-L363 HydrophobicContact CD2-CB 4.23Å; L349-L363 HydrophobicContact CD2-CD2 4.01Å
350	D	97.5	Very high	95.6	Very high	11 Å²	11	32.7 Å²	32.7	6%	0.059	17%	0.167	C	C	.	.			trans	-70.3	95.5	174.5	179.8	17	0	0	0	111.3	I234 G352 M353 R406	I234-D350 WeakPolarHBondContact CG2-O 3.28Å; D350-G352 PolarHBondContact O-N 2.99Å; D350-G352 PolarHBondContact OD1-N 2.83Å; D350-G352 VanDerWaalsContact OD1-N 3.1Å; D350-M353 HydrophobicContact CB-CE 4.25Å; D350-M353 HydrophobicContact CB-CG 4.08Å; D350-M353 HydrophobicContact CB-SD 4.27Å; D350-M353 WeakPolarHBondContact O-CB 3.5Å; D350-M353 PolarHBondContact O-N 2.85Å; D350-R406 IonicContact OD1-CZ 3.73Å; D350-R406 IonicContact OD1-NH2 3.9Å; D350-R406 PolarHBondContact OD1-NH2 2.81Å; D350-R406 IonicContact OD2-CZ 3.85Å; D350-R406 VanDerWaalsContact OD2-CZ 3.25Å; D350-R406 IonicContact OD2-NE 3.25Å; D350-R406 PolarHBondContact OD2-NE 3.34Å; D350-R406 IonicContact OD2-NH2 2.85Å; D350-R406 PolarHBondContact OD2-NH2 3.17Å
351	E	96.2	Very high	95.5	Very high	69 Å²	69	29.8 Å²	29.8	32%	0.322	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-9	178.2	-67.6	-178.2	102.6	0	0	113.9	R235 V238 R242 L349 M353	R235-E351 HydrophobicContact CG-CB 4.22Å; R235-E351 HydrophobicContact CG-CG 4.29Å; R235-E351 PolarHBondContact NE-O 2.9Å; R235-E351 PolarHBondContact NH2-O 2.77Å; R235-E351 VanDerWaalsContact NH2-O 3.11Å; V238-E351 HydrophobicContact CB-CG 4.34Å; V238-E351 HydrophobicContact CG1-CG 4.38Å; V238-E351 HydrophobicContact CG2-CG 3.98Å; R242-E351 IonicContact CZ-OE1 3.62Å; R242-E351 IonicContact CZ-OE2 3.97Å; R242-E351 IonicContact NH1-OE1 3.35Å; R242-E351 PolarHBondContact NH1-OE1 3.03Å; R242-E351 IonicContact NH2-OE1 2.73Å; R242-E351 PolarHBondContact NH2-OE1 3.14Å; R242-E351 IonicContact NH2-OE2 3.84Å; R242-E351 PolarHBondContact NH2-OE2 2.62Å; L349-E351 PolarHBondContact O-N 2.96Å; E351-M353 VanDerWaalsContact C-N 3.3Å
352	G	96.1	Very high	95.4	Very high	24 Å²	24	26.1 Å²	26.1	25%	0.247	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-7.9	169.5	0	0	0	0	0	114.6	D350 R402 R406	D350-G352 PolarHBondContact O-N 2.99Å; D350-G352 PolarHBondContact OD1-N 2.83Å; D350-G352 VanDerWaalsContact OD1-N 3.1Å; G352-R402 PolarHBondContact O-NH1 2.88Å; G352-R402 PolarHBondContact O-NH2 3.43Å; G352-R406 PolarHBondContact O-NE 3.45Å
353	M	95.6	Very high	95.4	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.135	C	C	.	.	S	Bend	trans	-74	151.8	166.6	-68	-179	174.5	0	0	111	I234 R235 D350 E351 E359 E362 N403 V407	I234-M353 HydrophobicContact CD1-CB 3.86Å; I234-M353 HydrophobicContact CG1-CB 4.1Å; R235-M353 PolarHBondContact NH2-O 3.44Å; D350-M353 HydrophobicContact CB-CE 4.25Å; D350-M353 HydrophobicContact CB-CG 4.08Å; D350-M353 HydrophobicContact CB-SD 4.27Å; D350-M353 WeakPolarHBondContact O-CB 3.5Å; D350-M353 PolarHBondContact O-N 2.85Å; E351-M353 VanDerWaalsContact C-N 3.3Å; M353-E359 HydrophobicContact SD-CB 3.79Å; M353-E362 HydrophobicContact CE-CB 3.85Å; M353-E362 HydrophobicContact CE-CG 3.86Å; M353-N403 VanDerWaalsContact CA-OD1 3.3Å; M353-N403 WeakPolarHBondContact CA-OD1 3.38Å; M353-N403 HydrophobicContact CG-CB 4.2Å; M353-N403 HydrophobicContact SD-CB 4.47Å; M353-V407 HydrophobicContact CE-CG2 3.34Å
354	E	91.4	Very high	95.4	Very high	60 Å²	60	25.6 Å²	25.6	28%	0.28	14%	0.135	S	C	.	.			trans	-113.9	138.9	-175.7	-67.5	171.7	-173.6	0	0	111.3	Y356 H399 R402 N403	E354-Y356 VanDerWaalsContact C-N 3.32Å; E354-Y356 PolarHBondContact O-N 3.12Å; E354-H399 IonicContact OE2-CE1 2.88Å; E354-H399 IonicContact OE2-ND1 3.07Å; E354-H399 PolarHBondContact OE2-ND1 3.33Å; E354-R402 IonicContact OE1-CZ 2.82Å; E354-R402 VanDerWaalsContact OE1-CZ 3.3Å; E354-R402 IonicContact OE1-NE 3.62Å; E354-R402 PolarHBondContact OE1-NE 3.37Å; E354-R402 IonicContact OE1-NH1 3.3Å; E354-R402 IonicContact OE1-NH2 2.87Å; E354-N403 PolarHBondContact N-OD1 3.43Å; E354-N403 PolarHBondContact O-ND2 3.32Å
355	V	87.5	Confident	95.4	Very high	31 Å²	31	20.7 Å²	20.7	19%	0.188	11%	0.112	C	C	.	.	S	Bend	trans	56.1	-78.7	171	-171.6	0	0	0	0	114.6	L233 T393	L233-V355 WeakPolarHBondContact CB-O 3.3Å; L233-V355 PolarHBondContact N-O 2.8Å; V355-T393 HydrophobicContact CG1-CG2 4.41Å
356	Y	89.3	Confident	95.4	Very high	62 Å²	62	15.6 Å²	15.6	24%	0.243	9%	0.088	C	C	.	.	S	Bend	trans	-157.6	150.5	-171.9	176.3	-94.9	0	0	0	111.6	L233 E354 K390 L396 V400 N403	L233-Y356 HydrophobicContact CD2-CD2 3.61Å; L233-Y356 HydrophobicContact CD2-CE2 3.92Å; E354-Y356 VanDerWaalsContact C-N 3.32Å; E354-Y356 PolarHBondContact O-N 3.12Å; Y356-K390 PolarHBondContact OH-NZ 2.74Å; Y356-K390 VanDerWaalsContact OH-NZ 3.14Å; Y356-L396 HydrophobicContact CD1-CD2 4.44Å; Y356-V400 HydrophobicContact CD1-CG2 4.49Å; Y356-N403 PolarHBondContact O-ND2 2.97Å
357	G	90.3	Very high	95.4	Very high	3 Å²	3	15.3 Å²	15.3	3%	0.031	9%	0.087	C	C	.	.	S	Bend	trans	103.7	137.1	163.5	0	0	0	0	0	113.8	E359 N403	G357-E359 WeakPolarHBondContact CA-OE2 3.41Å; G357-E359 PolarHBondContact N-OE2 3.33Å; G357-E359 PolarHBondContact O-N 3.31Å; G357-N403 VanDerWaalsContact O-CB 3.27Å; G357-N403 WeakPolarHBondContact O-CB 3.44Å; G357-N403 PolarHBondContact O-ND2 3.36Å; G357-N403 VanDerWaalsContact O-ND2 3.16Å
358	G	92.6	Very high	95.5	Very high	5 Å²	5	15.4 Å²	15.4	5%	0.052	8%	0.081	C	C	.	.	S	Bend	trans	80.1	-14	178.7	0	0	0	0	0	114.8	N360 V361 E362	G358-N360 PolarHBondContact O-N 2.69Å; G358-V361 PolarHBondContact O-N 2.88Å; G358-E362 WeakPolarHBondContact O-CB 3.45Å; G358-E362 PolarHBondContact O-N 2.86Å
359	E	94.9	Very high	95.5	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.009	8%	0.076	C	C	.	.	H	α-helix	trans	-69.2	-34.8	-173.6	84.5	-67.5	166.5	0	0	113	I234 R237 L349 M353 G357 L363	I234-E359 HydrophobicContact CD1-CB 4.43Å; I234-E359 HydrophobicContact CG1-CB 3.58Å; I234-E359 HydrophobicContact CG1-CG 3.84Å; R237-E359 IonicContact CZ-OE1 3.26Å; R237-E359 IonicContact NH1-OE1 3.72Å; R237-E359 PolarHBondContact NH1-OE1 3.35Å; L349-E359 HydrophobicContact CD1-CG 4.19Å; M353-E359 HydrophobicContact SD-CB 3.79Å; G357-E359 WeakPolarHBondContact CA-OE2 3.41Å; G357-E359 PolarHBondContact N-OE2 3.33Å; G357-E359 PolarHBondContact O-N 3.31Å; E359-L363 WeakPolarHBondContact O-CB 3.05Å; E359-L363 PolarHBondContact O-N 3.49Å
360	N	94.3	Very high	95.6	Very high	10 Å²	10	15.6 Å²	15.6	5%	0.053	8%	0.083	C	C	.	.	H	α-helix	trans	-75.6	-37.3	178.5	59.5	-36.9	0	0	0	111.8	C308 L332 G358 G364	C308-N360 PolarHBondContact SG-ND2 3.44Å; L332-N360 HydrophobicContact CB-CB 4.41Å; L332-N360 WeakPolarHBondContact O-CB 3.38Å; L332-N360 PolarHBondContact O-ND2 3.06Å; G358-N360 PolarHBondContact O-N 2.69Å; N360-G364 PolarHBondContact O-N 3.46Å
361	V	96.8	Very high	95.6	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65.8	-46.1	171.4	175.4	0	0	0	0	110.5	F302 L306 G358 L363 G364 I365	F302-V361 HydrophobicContact CB-CG1 4.21Å; F302-V361 HydrophobicContact CB-CG2 3.76Å; F302-V361 HydrophobicContact CD1-CG1 3.67Å; F302-V361 HydrophobicContact CD1-CG2 4.35Å; F302-V361 HydrophobicContact CD2-CG1 3.61Å; F302-V361 HydrophobicContact CE1-CG1 3.82Å; F302-V361 HydrophobicContact CE2-CG1 3.84Å; F302-V361 HydrophobicContact CG-CB 4.47Å; F302-V361 HydrophobicContact CG-CG1 3.56Å; F302-V361 HydrophobicContact CG-CG2 4.04Å; F302-V361 HydrophobicContact CZ-CG1 3.94Å; L306-V361 HydrophobicContact CB-CB 4.47Å; L306-V361 HydrophobicContact CB-CG1 4.26Å; L306-V361 HydrophobicContact CB-CG2 4.44Å; L306-V361 HydrophobicContact CD1-CG1 4.45Å; L306-V361 HydrophobicContact CD2-CG1 4.13Å; G358-V361 PolarHBondContact O-N 2.88Å; V361-L363 VanDerWaalsContact C-N 3.32Å; V361-L363 PolarHBondContact O-N 3.12Å; V361-G364 PolarHBondContact O-N 3.41Å; V361-I365 HydrophobicContact CG1-CD1 3.8Å; V361-I365 HydrophobicContact CG1-CG1 4.39Å; V361-I365 WeakPolarHBondContact O-CG1 3.31Å; V361-I365 PolarHBondContact O-N 3.48Å
362	E	98	Very high	95.7	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-54.7	-48.3	174.8	-170.2	-85.2	171.1	0	0	111.9	M353 G358 G364 I365 R366 V407 W411 R440	M353-E362 HydrophobicContact CE-CB 3.85Å; M353-E362 HydrophobicContact CE-CG 3.86Å; G358-E362 WeakPolarHBondContact O-CB 3.45Å; G358-E362 PolarHBondContact O-N 2.86Å; E362-G364 PolarHBondContact O-N 3.12Å; E362-I365 PolarHBondContact O-N 3.3Å; E362-R366 VanDerWaalsContact O-CB 3.29Å; E362-R366 WeakPolarHBondContact O-CB 3.31Å; E362-R366 PolarHBondContact O-N 3.43Å; E362-R366 IonicContact OE1-NE 3.65Å; E362-R366 PolarHBondContact OE1-NE 3.42Å; E362-R366 IonicContact OE1-NH2 3.77Å; E362-R366 IonicContact OE2-CZ 3.73Å; E362-R366 IonicContact OE2-NE 3.31Å; E362-R366 PolarHBondContact OE2-NE 2.98Å; E362-R366 IonicContact OE2-NH2 3.94Å; E362-R366 PolarHBondContact OE2-NH2 3.12Å; E362-V407 HydrophobicContact CB-CG1 4.29Å; E362-V407 HydrophobicContact CB-CG2 3.71Å; E362-V407 HydrophobicContact CG-CG1 4.41Å; E362-V407 HydrophobicContact CG-CG2 3.95Å; E362-W411 PolarHBondContact OE1-NE1 2.78Å; E362-R440 IonicContact OE1-CZ 2.73Å; E362-R440 IonicContact OE1-NE 3.62Å; E362-R440 IonicContact OE1-NH2 2.95Å; E362-R440 PolarHBondContact OE1-NH2 3.06Å; E362-R440 IonicContact OE2-NH2 3.56Å
363	L	98.1	Very high	95.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.2	-44.7	179.2	178.6	61.5	0	0	0	110.9	I277 L332 F336 F343 I346 L349 E359 V361 R366 V367	I277-L363 HydrophobicContact CD1-CD1 3.74Å; I277-L363 HydrophobicContact CD1-CD2 4.01Å; I277-L363 HydrophobicContact CD1-CG 4Å; L332-L363 HydrophobicContact CD1-CB 4.2Å; L332-L363 HydrophobicContact CD1-CD2 3.52Å; L332-L363 HydrophobicContact CD1-CG 3.67Å; F336-L363 HydrophobicContact CD1-CD2 4.26Å; F336-L363 HydrophobicContact CD2-CD2 4.23Å; F336-L363 HydrophobicContact CE1-CD2 3.81Å; F336-L363 HydrophobicContact CE2-CD2 3.75Å; F336-L363 HydrophobicContact CG-CD2 4.46Å; F336-L363 HydrophobicContact CZ-CD2 3.52Å; F343-L363 HydrophobicContact CE2-CD1 4Å; F343-L363 HydrophobicContact CE2-CD2 4.12Å; I346-L363 HydrophobicContact CD1-CD1 4.02Å; L349-L363 HydrophobicContact CD2-CB 4.23Å; L349-L363 HydrophobicContact CD2-CD2 4.01Å; E359-L363 WeakPolarHBondContact O-CB 3.05Å; E359-L363 PolarHBondContact O-N 3.49Å; V361-L363 VanDerWaalsContact C-N 3.32Å; V361-L363 PolarHBondContact O-N 3.12Å; L363-R366 PolarHBondContact O-N 2.88Å; L363-V367 HydrophobicContact CD1-CG2 3.83Å; L363-V367 HydrophobicContact CG-CG2 4.26Å; L363-V367 WeakPolarHBondContact O-CB 3.47Å; L363-V367 WeakPolarHBondContact O-CG2 3.43Å; L363-V367 PolarHBondContact O-N 3.42Å
364	G	97.6	Very high	95.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.5	-50.6	177.2	0	0	0	0	0	113	N360 V361 E362 R366 V367 W368	N360-G364 PolarHBondContact O-N 3.46Å; V361-G364 PolarHBondContact O-N 3.41Å; E362-G364 PolarHBondContact O-N 3.12Å; G364-R366 PolarHBondContact O-N 3.15Å; G364-V367 PolarHBondContact O-N 3.18Å; G364-W368 VanDerWaalsContact O-CD1 3.3Å; G364-W368 PolarHBondContact O-N 3.4Å
365	I	98.4	Very high	96.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.9	-49.7	177.9	-64.8	166.7	0	0	0	110.4	F302 V361 E362 W368 Q369 V407 W411 F452 Y455	F302-I365 HydrophobicContact CE1-CD1 4.27Å; F302-I365 HydrophobicContact CE1-CG1 4.07Å; F302-I365 HydrophobicContact CE2-CD1 4.23Å; F302-I365 HydrophobicContact CZ-CD1 3.68Å; F302-I365 HydrophobicContact CZ-CG1 3.87Å; V361-I365 HydrophobicContact CG1-CD1 3.8Å; V361-I365 HydrophobicContact CG1-CG1 4.39Å; V361-I365 WeakPolarHBondContact O-CG1 3.31Å; V361-I365 PolarHBondContact O-N 3.48Å; E362-I365 PolarHBondContact O-N 3.3Å; I365-W368 PolarHBondContact O-N 2.88Å; I365-Q369 HydrophobicContact CG2-CG 4.26Å; I365-Q369 WeakPolarHBondContact O-CB 3.46Å; I365-Q369 WeakPolarHBondContact O-CG 3.33Å; I365-Q369 PolarHBondContact O-N 2.91Å; I365-V407 HydrophobicContact CD1-CG1 4.03Å; I365-W411 HydrophobicContact CG2-CB 3.85Å; I365-W411 HydrophobicContact CG2-CG 4.48Å; I365-F452 HydrophobicContact CD1-CE2 3.88Å; I365-F452 HydrophobicContact CG1-CE2 4.04Å; I365-F452 HydrophobicContact CG2-CD2 3.91Å; I365-F452 HydrophobicContact CG2-CE2 3.83Å; I365-Y455 HydrophobicContact CG1-CE1 4.4Å
366	R	98.3	Very high	96.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.9	-48.4	-178.5	169.4	170.5	39	105	4.3	111.8	I346 L348 E362 L363 G364 W368 Q369 C370 W411 R440	I346-R366 VanDerWaalsContact CG1-NH1 3.31Å; I346-R366 WeakPolarHBondContact O-CD 3.48Å; I346-R366 PolarHBondContact O-NH1 3.26Å; L348-R366 PolarHBondContact O-NH1 2.82Å; L348-R366 PolarHBondContact O-NH2 2.98Å; E362-R366 VanDerWaalsContact O-CB 3.29Å; E362-R366 WeakPolarHBondContact O-CB 3.31Å; E362-R366 PolarHBondContact O-N 3.43Å; E362-R366 IonicContact OE1-NE 3.65Å; E362-R366 PolarHBondContact OE1-NE 3.42Å; E362-R366 IonicContact OE1-NH2 3.77Å; E362-R366 IonicContact OE2-CZ 3.73Å; E362-R366 IonicContact OE2-NE 3.31Å; E362-R366 PolarHBondContact OE2-NE 2.98Å; E362-R366 IonicContact OE2-NH2 3.94Å; E362-R366 PolarHBondContact OE2-NH2 3.12Å; L363-R366 PolarHBondContact O-N 2.88Å; G364-R366 PolarHBondContact O-N 3.15Å; R366-W368 VanDerWaalsContact C-N 3.31Å; R366-W368 PolarHBondContact O-N 3.43Å; R366-Q369 PolarHBondContact O-N 3.08Å; R366-C370 WeakPolarHBondContact O-CB 3.21Å; R366-C370 PolarHBondContact O-N 2.94Å; R366-C370 PolarHBondContact O-SG 2.68Å; R366-W411 HydrophobicContact CB-CD2 4.36Å; R366-W411 HydrophobicContact CB-CE3 4.33Å; R366-W411 HydrophobicContact CB-CH2 3.83Å; R366-W411 HydrophobicContact CB-CZ2 3.88Å; R366-W411 HydrophobicContact CB-CZ3 4.04Å; R366-W411 VanDerWaalsContact CD-CH2 3.45Å; R366-W411 VanDerWaalsContact CD-CZ2 3.42Å; R366-W411 HydrophobicContact CG-CH2 3.45Å; R366-W411 VanDerWaalsContact CG-CH2 3.45Å; R366-W411 HydrophobicContact CG-CZ2 3.78Å; R366-W411 HydrophobicContact CG-CZ3 3.96Å; R366-R440 VanDerWaalsContact NE-NH2 3.16Å
367	V	98.4	Very high	97	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-56	-49.3	-178.3	166.8	0	0	0	0	110.4	I277 I346 L363 G364 C370 G371 G372 V374	I277-V367 HydrophobicContact CD1-CG2 3.4Å; I277-V367 VanDerWaalsContact CD1-CG2 3.4Å; I277-V367 HydrophobicContact CG1-CG1 4.37Å; I277-V367 HydrophobicContact CG1-CG2 3.87Å; I346-V367 HydrophobicContact CD1-CG2 3.82Å; L363-V367 HydrophobicContact CD1-CG2 3.83Å; L363-V367 HydrophobicContact CG-CG2 4.26Å; L363-V367 WeakPolarHBondContact O-CB 3.47Å; L363-V367 WeakPolarHBondContact O-CG2 3.43Å; L363-V367 PolarHBondContact O-N 3.42Å; G364-V367 PolarHBondContact O-N 3.18Å; V367-C370 PolarHBondContact O-N 3.06Å; V367-G371 PolarHBondContact O-N 3.1Å; V367-G372 WeakPolarHBondContact O-CA 3.33Å; V367-G372 PolarHBondContact O-N 3.32Å; V367-V374 HydrophobicContact CB-CG2 4.09Å; V367-V374 HydrophobicContact CG1-CG2 3.85Å
368	W	98.5	Very high	97.3	Very high	21 Å²	21	8.1 Å²	8.1	8%	0.08	6%	0.062	C	C	.	.	H	α-helix	trans	-65.8	-45.7	179.4	-81.4	116.3	0	0	0	113	S329 P330 G364 I365 R366 C370 G371 W454 Y455 I459	S329-W368 PolarHBondContact O-NE1 3.27Å; P330-W368 VanDerWaalsContact O-CD1 3.32Å; G364-W368 VanDerWaalsContact O-CD1 3.3Å; G364-W368 PolarHBondContact O-N 3.4Å; I365-W368 PolarHBondContact O-N 2.88Å; R366-W368 VanDerWaalsContact C-N 3.31Å; R366-W368 PolarHBondContact O-N 3.43Å; W368-C370 VanDerWaalsContact C-N 3.26Å; W368-C370 PolarHBondContact O-N 3.38Å; W368-G371 PolarHBondContact O-N 2.74Å; W368-W454 WeakPolarHBondContact O-CZ3 3.44Å; W368-Y455 HydrophobicContact CB-CD2 3.73Å; W368-Y455 HydrophobicContact CB-CE2 3.85Å; W368-Y455 AromaticContact CD1-CE2 3.87Å; W368-Y455 HydrophobicContact CG-CD2 4.37Å; W368-Y455 HydrophobicContact CG-CE2 4.08Å; W368-I459 HydrophobicContact CB-CG1 4.2Å; W368-I459 HydrophobicContact CB-CG2 4.47Å; W368-I459 HydrophobicContact CD2-CD1 3.74Å; W368-I459 HydrophobicContact CD2-CG1 3.93Å; W368-I459 HydrophobicContact CD2-CG2 3.77Å; W368-I459 HydrophobicContact CE3-CD1 3.34Å; W368-I459 HydrophobicContact CE3-CG1 3.96Å; W368-I459 HydrophobicContact CG-CB 4.5Å; W368-I459 HydrophobicContact CG-CD1 4.41Å; W368-I459 HydrophobicContact CG-CG1 4.08Å; W368-I459 HydrophobicContact CG-CG2 3.75Å; W368-I459 HydrophobicContact CH2-CD1 4.12Å; W368-I459 HydrophobicContact CZ2-CD1 4.47Å; W368-I459 HydrophobicContact CZ2-CG2 4.34Å; W368-I459 HydrophobicContact CZ3-CD1 3.55Å
369	Q	98.8	Very high	97.6	Very high	2 Å²	2	8.1 Å²	8.1	1%	0.009	6%	0.061	C	C	.	.	H	α-helix	trans	-65.4	-32	179.4	-74	-177.8	-27.4	0	0	112.2	I365 R366 W411 C449 K450 F452	I365-Q369 HydrophobicContact CG2-CG 4.26Å; I365-Q369 WeakPolarHBondContact O-CB 3.46Å; I365-Q369 WeakPolarHBondContact O-CG 3.33Å; I365-Q369 PolarHBondContact O-N 2.91Å; R366-Q369 PolarHBondContact O-N 3.08Å; Q369-W411 PolarHBondContact NE2-O 3.49Å; Q369-W411 VanDerWaalsContact NE2-O 3.13Å; Q369-C449 HydrophobicContact CB-CB 4.05Å; Q369-C449 CarbonylContact O-C 3Å; Q369-C449 VanDerWaalsContact O-CA 3.24Å; Q369-C449 WeakPolarHBondContact O-CA 3.47Å; Q369-C449 WeakPolarHBondContact O-CB 3.26Å; Q369-K450 WeakPolarHBondContact O-CG 3.36Å; Q369-K450 PolarHBondContact O-N 3.04Å; Q369-F452 VanDerWaalsContact NE2-N 3.12Å
370	C	98.4	Very high	97.7	Very high	25 Å²	25	8 Å²	8	17%	0.169	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	14.9	-174.7	-52.2	0	0	0	0	113.7	R366 V367 W368 L447 C449	R366-C370 WeakPolarHBondContact O-CB 3.21Å; R366-C370 PolarHBondContact O-N 2.94Å; R366-C370 PolarHBondContact O-SG 2.68Å; V367-C370 PolarHBondContact O-N 3.06Å; W368-C370 VanDerWaalsContact C-N 3.26Å; W368-C370 PolarHBondContact O-N 3.38Å; C370-L447 HydrophobicContact CB-CB 4.3Å; C370-L447 HydrophobicContact CB-CD1 4.25Å; C370-C449 HydrophobicContact CB-CB 4.05Å; C370-C449 WeakPolarHBondContact CB-SG 3.49Å; C370-C449 WeakPolarHBondContact SG-CB 3.14Å; C370-C449 CovalentContact SG-SG 2.04Å; C370-C449 PolarHBondContact SG-SG 3.42Å
371	G	97.4	Very high	97.8	Very high	63 Å²	63	7.6 Å²	7.6	65%	0.649	6%	0.058	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.8	4.6	166.3	0	0	0	0	0	116.6	V367 W368	V367-G371 PolarHBondContact O-N 3.1Å; W368-G371 PolarHBondContact O-N 2.74Å
372	G	98.2	Very high	97.8	Very high	7 Å²	7	7.6 Å²	7.6	7%	0.072	6%	0.058	C	C	.	.			trans	-92.5	-167	168.3	0	0	0	0	0	112.5	T275 Y342 V367	T275-G372 WeakPolarHBondContact O-CA 3.41Å; Y342-G372 WeakPolarHBondContact OH-CA 3.33Å; V367-G372 WeakPolarHBondContact O-CA 3.33Å; V367-G372 PolarHBondContact O-N 3.32Å
373	S	98.1	Very high	97.8	Very high	14 Å²	14	7.6 Å²	7.6	10%	0.098	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	152.2	175.7	64.9	0	0	0	0	112.7	T275 R276 I277	T275-S373 PolarHBondContact O-N 3.12Å; R276-S373 WeakPolarHBondContact CA-O 3.15Å; R276-S373 WeakPolarHBondContact CG-OG 3.15Å; I277-S373 PolarHBondContact N-O 3.22Å
374	V	98.3	Very high	97.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.3	173.1	179.4	0	0	0	0	110.1	I277 S329 A331 L332 V367	I277-V374 WeakPolarHBondContact O-CA 3.22Å; S329-V374 PolarHBondContact N-O 2.7Å; S329-V374 WeakPolarHBondContact O-CB 3.24Å; A331-V374 WeakPolarHBondContact O-CG1 3.41Å; L332-V374 HydrophobicContact CD1-CG2 4.41Å; L332-V374 HydrophobicContact CD2-CG1 3.43Å; L332-V374 VanDerWaalsContact CD2-CG1 3.43Å; L332-V374 HydrophobicContact CG-CG1 3.66Å; L332-V374 HydrophobicContact CG-CG2 4.28Å; V367-V374 HydrophobicContact CB-CG2 4.09Å; V367-V374 HydrophobicContact CG1-CG2 3.85Å
375	E	97.8	Very high	97.7	Very high	9 Å²	9	9.7 Å²	9.7	4%	0.042	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141	179.5	-56.3	-176.2	162.2	0	0	111.6	R269 R276 I277 I278 S279 I327 L377	R269-E375 IonicContact CZ-OE1 3.61Å; R269-E375 IonicContact CZ-OE2 3.9Å; R269-E375 IonicContact NE-OE2 3.73Å; R269-E375 PolarHBondContact NE-OE2 3.28Å; R269-E375 IonicContact NH2-OE1 2.94Å; R269-E375 PolarHBondContact NH2-OE1 2.88Å; R269-E375 IonicContact NH2-OE2 2.88Å; R269-E375 PolarHBondContact NH2-OE2 2.94Å; R276-E375 IonicContact NE-OE1 3.5Å; I277-E375 PolarHBondContact O-N 2.48Å; I277-E375 VanDerWaalsContact O-N 3.08Å; I278-E375 WeakPolarHBondContact CA-O 3.42Å; I278-E375 HydrophobicContact CD1-CB 3.88Å; I278-E375 HydrophobicContact CD1-CG 4.39Å; S279-E375 PolarHBondContact N-O 3.09Å; I327-E375 CarbonylContact O-C 3.48Å; I327-E375 VanDerWaalsContact O-CA 3.31Å; I327-E375 WeakPolarHBondContact O-CA 3.35Å; E375-L377 HydrophobicContact CB-CD2 4.46Å
376	V	97.8	Very high	97.2	Very high	4 Å²	4	14.2 Å²	14.2	2%	0.024	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130	165	179.8	0	0	0	0	108.2	S279 Q300 I327 P378	S279-V376 VanDerWaalsContact O-CA 3.31Å; S279-V376 WeakPolarHBondContact O-CA 3.43Å; Q300-V376 HydrophobicContact CG-CG2 3.88Å; I327-V376 HydrophobicContact CB-CB 4.3Å; I327-V376 PolarHBondContact N-O 3.33Å; I327-V376 PolarHBondContact O-N 2.83Å; V376-P378 WeakPolarHBondContact O-CD 3.31Å
377	L	96.9	Very high	96.9	Very high	6 Å²	6	15.8 Å²	15.8	3%	0.031	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	110.5	-179.9	-61	-169.6	0	0	0	112.3	P265 I266 R269 I278 S279 P326 E375 C379 A380	P265-L377 HydrophobicContact CB-CD1 4.19Å; I266-L377 HydrophobicContact CB-CD1 4.44Å; I266-L377 HydrophobicContact CG1-CD1 3.93Å; R269-L377 HydrophobicContact CB-CD1 4.37Å; R269-L377 HydrophobicContact CG-CD1 3.76Å; R269-L377 HydrophobicContact CG-CD2 4.12Å; I278-L377 HydrophobicContact CG2-CD1 3.62Å; I278-L377 HydrophobicContact CG2-CG 3.59Å; S279-L377 PolarHBondContact O-N 2.92Å; S279-L377 VanDerWaalsContact O-N 3.1Å; P326-L377 HydrophobicContact CB-CD2 3.55Å; P326-L377 HydrophobicContact CG-CD2 3.7Å; E375-L377 HydrophobicContact CB-CD2 4.46Å; L377-C379 PolarHBondContact O-N 2.97Å; L377-A380 HydrophobicContact CB-CB 3.99Å; L377-A380 PolarHBondContact O-N 2.82Å
378	P	96.6	Very high	96.5	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	-31.3	176.7	-30.4	38.4	0	0	0	114.9	P143 L297 W317 K323 A325 I327 V376 A380	P143-P378 WeakPolarHBondContact CD-O 3.46Å; P143-P378 HydrophobicContact CG-CB 4.03Å; L297-P378 HydrophobicContact CD1-CB 4.11Å; L297-P378 HydrophobicContact CD1-CG 4.34Å; L297-P378 HydrophobicContact CD2-CB 3.67Å; L297-P378 HydrophobicContact CD2-CG 4.13Å; W317-P378 HydrophobicContact CZ2-CG 4.31Å; K323-P378 VanDerWaalsContact O-CB 3.23Å; K323-P378 WeakPolarHBondContact O-CB 3.46Å; K323-P378 WeakPolarHBondContact O-CG 3.48Å; A325-P378 WeakPolarHBondContact O-CD 3.5Å; A325-P378 WeakPolarHBondContact O-CG 3.12Å; I327-P378 HydrophobicContact CD1-CG 3.9Å; I327-P378 HydrophobicContact CG1-CG 4.17Å; V376-P378 WeakPolarHBondContact O-CD 3.31Å; P378-A380 VanDerWaalsContact C-N 3.34Å
379	C	97.1	Very high	95.9	Very high	6 Å²	6	20.7 Å²	20.7	4%	0.041	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-13.3	-179.8	-60.6	0	0	0	0	113.9	R142 C146 P265 L377	R142-C379 VanDerWaalsContact CD-O 3.28Å; R142-C379 WeakPolarHBondContact CD-O 3.23Å; C146-C379 HydrophobicContact CB-CB 3.64Å; C146-C379 WeakPolarHBondContact CB-SG 3.35Å; C146-C379 WeakPolarHBondContact SG-CA 3.35Å; C146-C379 WeakPolarHBondContact SG-CB 3.41Å; C146-C379 CovalentContact SG-SG 2.04Å; C146-C379 PolarHBondContact SG-SG 2.93Å; P265-C379 HydrophobicContact CB-CB 4.44Å; P265-C379 HydrophobicContact CG-CB 4.44Å; L377-C379 PolarHBondContact O-N 2.97Å
380	A	97.3	Very high	95.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	93.1	176.3	0	0	0	0	0	109.3	W262 P265 I266 P280 S281 L377 P378	W262-A380 VanDerWaalsContact O-CB 3.3Å; W262-A380 WeakPolarHBondContact O-CB 3.31Å; P265-A380 HydrophobicContact CG-CB 3.97Å; I266-A380 HydrophobicContact CD1-CB 3.78Å; I266-A380 HydrophobicContact CG1-CB 3.66Å; P280-A380 CarbonylContact C-O 3.29Å; P280-A380 WeakPolarHBondContact CA-O 3.35Å; P280-A380 HydrophobicContact CB-CB 4.43Å; P280-A380 VanDerWaalsContact CB-O 3.24Å; P280-A380 WeakPolarHBondContact CB-O 3.25Å; S281-A380 PolarHBondContact N-O 3.35Å; L377-A380 HydrophobicContact CB-CB 3.99Å; L377-A380 PolarHBondContact O-N 2.82Å; P378-A380 VanDerWaalsContact C-N 3.34Å
381	R	96.7	Very high	94.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	138.3	-178.8	-59.5	-164.3	79.9	93.4	2.4	112.4	L141 R142 N259 S281 D283 Y295	L141-R381 WeakPolarHBondContact O-CD 3.49Å; R142-R381 HydrophobicContact CG-CG 4.04Å; N259-R381 HydrophobicContact CB-CB 4.05Å; N259-R381 WeakPolarHBondContact CB-O 3.43Å; N259-R381 PolarHBondContact N-O 2.84Å; N259-R381 VanDerWaalsContact N-O 3.15Å; S281-R381 VanDerWaalsContact O-CA 3.29Å; S281-R381 WeakPolarHBondContact O-CA 3.49Å; S281-R381 PolarHBondContact OG-NH1 2.79Å; D283-R381 IonicContact OD1-CZ 3.8Å; D283-R381 VanDerWaalsContact OD1-CZ 3.26Å; D283-R381 IonicContact OD1-NE 3.52Å; D283-R381 PolarHBondContact OD1-NE 2.83Å; D283-R381 IonicContact OD1-NH2 3.58Å; D283-R381 PolarHBondContact OD1-NH2 2.87Å; D283-R381 IonicContact OD2-CZ 2.82Å; D283-R381 IonicContact OD2-NE 3.15Å; D283-R381 PolarHBondContact OD2-NE 2.64Å; D283-R381 IonicContact OD2-NH2 2.98Å; Y295-R381 PolarHBondContact O-NH2 3.16Å
382	I	97.3	Very high	92.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128.9	174.4	-61.4	-175.7	0	0	0	108.1	F252 V256 F258 W262 P280 S281 F282 D283	F252-I382 HydrophobicContact CD1-CD1 4.2Å; F252-I382 HydrophobicContact CE1-CD1 3.34Å; F252-I382 HydrophobicContact CE2-CD1 4.23Å; F252-I382 HydrophobicContact CZ-CD1 3.34Å; V256-I382 HydrophobicContact CB-CG2 3.81Å; V256-I382 HydrophobicContact CG1-CG2 4.2Å; V256-I382 HydrophobicContact CG2-CG2 4.49Å; F258-I382 HydrophobicContact CD1-CD1 3.64Å; F258-I382 HydrophobicContact CD1-CG1 4Å; F258-I382 HydrophobicContact CE1-CD1 3.53Å; F258-I382 HydrophobicContact CE1-CG1 4.38Å; F258-I382 HydrophobicContact CZ-CD1 4.43Å; W262-I382 HydrophobicContact CD2-CD1 4.48Å; W262-I382 HydrophobicContact CE3-CD1 3.94Å; W262-I382 HydrophobicContact CZ3-CD1 4.34Å; P280-I382 HydrophobicContact CB-CB 4.44Å; P280-I382 HydrophobicContact CB-CD1 3.93Å; P280-I382 HydrophobicContact CB-CG1 3.95Å; P280-I382 HydrophobicContact CG-CB 4.43Å; P280-I382 HydrophobicContact CG-CD1 3.66Å; P280-I382 HydrophobicContact CG-CG1 4.12Å; S281-I382 PolarHBondContact O-N 3.03Å; F282-I382 CarbonylContact C-O 3.59Å; F282-I382 VanDerWaalsContact CA-O 3.24Å; F282-I382 WeakPolarHBondContact CA-O 3.47Å; D283-I382 PolarHBondContact N-O 3.01Å
383	A	97.6	Very high	91.3	Very high	2 Å²	2	28.4 Å²	28.4	2%	0.017	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	135.6	174	0	0	0	0	0	109.6	V256 E257 D283 I285 I292	V256-A383 CarbonylContact C-O 3.26Å; V256-A383 WeakPolarHBondContact CA-O 3.25Å; E257-A383 HydrophobicContact CB-CB 4.45Å; E257-A383 PolarHBondContact N-O 2.89Å; E257-A383 PolarHBondContact O-N 2.84Å; D283-A383 HydrophobicContact CB-CB 4.03Å; D283-A383 CarbonylContact O-C 3.55Å; D283-A383 VanDerWaalsContact O-CA 3.32Å; D283-A383 WeakPolarHBondContact O-CA 3.41Å; I285-A383 HydrophobicContact CD1-CB 3.81Å; I285-A383 HydrophobicContact CG1-CB 3.51Å; I292-A383 HydrophobicContact CD1-CB 3.87Å; I292-A383 HydrophobicContact CG1-CB 4.09Å; I292-A383 HydrophobicContact CG2-CB 4.2Å
384	H	97	Very high	89.9	Confident	41 Å²	41	37.3 Å²	37.3	19%	0.19	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.6	-177.7	177.9	-78.9	0	0	0	109.8	D253 H255 V256 F282 D283 I285 E386	D253-H384 IonicContact OD2-CD2 3.12Å; D253-H384 IonicContact OD2-CE1 3.82Å; D253-H384 IonicContact OD2-NE2 2.8Å; D253-H384 PolarHBondContact OD2-NE2 2.81Å; H255-H384 AromaticContact CD2-CD2 4Å; H255-H384 AromaticContact CD2-CE1 3.5Å; H255-H384 AromaticContact CD2-NE2 3.35Å; H255-H384 PolarHBondContact CD2-NE2 3.29Å; H255-H384 AromaticContact NE2-CE1 3.53Å; H255-H384 AromaticContact NE2-NE2 3.33Å; H255-H384 PolarHBondContact NE2-NE2 2.81Å; V256-H384 HydrophobicContact CG1-CB 4.21Å; F282-H384 HydrophobicContact CD1-CB 4.33Å; D283-H384 PolarHBondContact O-N 2.92Å; I285-H384 PolarHBondContact N-O 2.8Å; H384-E386 PolarHBondContact O-N 3.33Å
385	I	96.8	Very high	88.9	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	109.5	177.6	-54	-179.2	0	0	0	110.5	Y124 V171 H255 I285 F290 R387	Y124-I385 HydrophobicContact CD1-CG2 3.91Å; Y124-I385 HydrophobicContact CG-CG2 4.04Å; V171-I385 HydrophobicContact CG1-CD1 3.75Å; V171-I385 HydrophobicContact CG2-CD1 4.13Å; H255-I385 HydrophobicContact CB-CB 4.19Å; H255-I385 HydrophobicContact CB-CD1 3.88Å; H255-I385 HydrophobicContact CB-CG1 4.08Å; H255-I385 PolarHBondContact O-N 2.87Å; H255-I385 VanDerWaalsContact O-N 3.1Å; I285-I385 HydrophobicContact CB-CB 4.45Å; I285-I385 HydrophobicContact CB-CG1 3.89Å; I285-I385 HydrophobicContact CD1-CG1 3.9Å; I285-I385 HydrophobicContact CG1-CG1 4.47Å; I285-I385 HydrophobicContact CG2-CG1 3.97Å; F290-I385 HydrophobicContact CE1-CD1 3.6Å; F290-I385 HydrophobicContact CE1-CG1 4.49Å; F290-I385 HydrophobicContact CZ-CD1 3.87Å; I385-R387 PolarHBondContact O-N 3.31Å
386	E	88.8	Confident	88.2	Confident	95 Å²	95	42.2 Å²	42.2	44%	0.444	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	102.6	169.8	-175.5	179.1	-165.5	0	0	109.7	N284 I285 Y287 Y295 H384	N284-E386 PolarHBondContact ND2-OE2 3.35Å; N284-E386 WeakPolarHBondContact OD1-CB 3.26Å; I285-E386 PolarHBondContact O-N 3.41Å; Y287-E386 WeakPolarHBondContact CB-O 3.43Å; Y295-E386 PolarHBondContact OH-OE2 2.88Å; H384-E386 PolarHBondContact O-N 3.33Å
387	R	90.4	Very high	87.6	Confident	33 Å²	33	45.2 Å²	45.2	13%	0.125	23%	0.233	C	C	.	.			trans	-67.6	143.6	-178.6	-52.7	-169.2	179.2	-128.9	-0.5	111.8	Y122 G123 Y124 E167 H255 I385 H389 Y392	Y122-R387 PolarHBondContact O-NH1 3.13Å; G123-R387 WeakPolarHBondContact O-CA 3.29Å; Y124-R387 HydrophobicContact CD1-CG 4.18Å; E167-R387 IonicContact OE1-CZ 2.83Å; E167-R387 IonicContact OE1-NH1 3.69Å; E167-R387 IonicContact OE1-NH2 3.17Å; E167-R387 PolarHBondContact OE1-NH2 2.89Å; E167-R387 IonicContact OE2-NH2 3.83Å; E167-R387 PolarHBondContact OE2-NH2 3.49Å; H255-R387 PolarHBondContact CE1-NH2 3.23Å; H255-R387 VanDerWaalsContact CE1-NH2 3.26Å; H255-R387 PolarHBondContact ND1-NH2 3.06Å; H255-R387 VanDerWaalsContact ND1-NH2 3.13Å; I385-R387 PolarHBondContact O-N 3.31Å; R387-H389 VanDerWaalsContact C-N 3.28Å; R387-H389 VanDerWaalsContact CB-O 3.31Å; R387-H389 WeakPolarHBondContact CB-O 3.43Å; R387-H389 PolarHBondContact O-N 3.26Å; R387-Y392 PolarHBondContact NE-OH 3.46Å
388	A	89.7	Confident	87.2	Confident	49 Å²	49	47.6 Å²	47.6	41%	0.405	25%	0.25	S	S	.	.	S	Bend	trans	-64.6	-34	169.3	0	0	0	0	0	112	F119 G123 Y287	F119-A388 HydrophobicContact CE2-CB 3.77Å; F119-A388 HydrophobicContact CZ-CB 3.62Å; G123-A388 PolarHBondContact O-N 2.68Å; Y287-A388 HydrophobicContact CD1-CB 4.08Å; Y287-A388 HydrophobicContact CD2-CB 4Å; Y287-A388 HydrophobicContact CE1-CB 4.16Å; Y287-A388 HydrophobicContact CE2-CB 4.1Å; Y287-A388 HydrophobicContact CG-CB 4.01Å
389	H	86	Confident	86.9	Confident	75 Å²	75	49.6 Å²	49.6	35%	0.347	26%	0.259	S	S	.	.	S	Bend	trans	-151.6	156.8	172.8	60.8	-81.9	0	0	0	111.1	F119 Q120 G123 R387	F119-H389 PolarHBondContact O-CE1 3Å; Q120-H389 PolarHBondContact O-CE1 2.88Å; Q120-H389 PolarHBondContact O-NE2 2.54Å; G123-H389 VanDerWaalsContact CA-CE1 3.43Å; G123-H389 WeakPolarHBondContact CA-CE1 3.43Å; R387-H389 VanDerWaalsContact C-N 3.28Å; R387-H389 VanDerWaalsContact CB-O 3.31Å; R387-H389 WeakPolarHBondContact CB-O 3.43Å; R387-H389 PolarHBondContact O-N 3.26Å
390	K	82.9	Confident	86.7	Confident	90 Å²	90	49.5 Å²	49.5	39%	0.391	26%	0.258	S	S	.	.			trans	-96.6	118.2	-176.8	-66.4	-179.1	-178.3	179.7	0	110.3	Y356 Y392 L396	Y356-K390 PolarHBondContact OH-NZ 2.74Å; Y356-K390 VanDerWaalsContact OH-NZ 3.14Å; K390-Y392 VanDerWaalsContact C-N 3.32Å; K390-Y392 HydrophobicContact CB-CD2 3.84Å; K390-Y392 HydrophobicContact CB-CE2 3.91Å; K390-Y392 HydrophobicContact CD-CD2 4.48Å; K390-Y392 HydrophobicContact CD-CE2 4.26Å; K390-Y392 HydrophobicContact CG-CD2 4.41Å; K390-Y392 HydrophobicContact CG-CE2 4.07Å; K390-Y392 PolarHBondContact O-N 2.68Å; K390-L396 HydrophobicContact CB-CD1 4.18Å; K390-L396 HydrophobicContact CD-CD1 4.07Å
391	P	77.2	Confident	86.5	Confident	58 Å²	58	53.1 Å²	53.1	38%	0.377	27%	0.272	S	S	.	.			trans	-89.5	17.2	-174.1	36.2	-37	0	0	0	114.5	Y121	Y121-P391 VanDerWaalsContact O-CB 3.27Å; Y121-P391 WeakPolarHBondContact O-CB 3.37Å
392	Y	68.9	Low	86.5	Confident	57 Å²	57	54.5 Å²	54.5	22%	0.224	28%	0.277	C	S	.	.	S	Bend	trans	-82.8	-30.9	-165.5	-48.9	-55	0	0	0	114.7	V165 R387 K390	V165-Y392 HydrophobicContact CG1-CD1 4.02Å; V165-Y392 HydrophobicContact CG1-CE1 4.5Å; R387-Y392 PolarHBondContact NE-OH 3.46Å; K390-Y392 VanDerWaalsContact C-N 3.32Å; K390-Y392 HydrophobicContact CB-CD2 3.84Å; K390-Y392 HydrophobicContact CB-CE2 3.91Å; K390-Y392 HydrophobicContact CD-CD2 4.48Å; K390-Y392 HydrophobicContact CD-CE2 4.26Å; K390-Y392 HydrophobicContact CG-CD2 4.41Å; K390-Y392 HydrophobicContact CG-CE2 4.07Å; K390-Y392 PolarHBondContact O-N 2.68Å
393	T	68	Low	86.5	Confident	54 Å²	54	54.5 Å²	54.5	33%	0.331	28%	0.277	S	S	.	.			trans	-164.9	154.4	179	-177.9	0	0	0	0	109.6	V355 L396	V355-T393 HydrophobicContact CG1-CG2 4.41Å; T393-L396 HydrophobicContact CG2-CB 4.39Å; T393-L396 HydrophobicContact CG2-CD2 3.43Å; T393-L396 VanDerWaalsContact CG2-CD2 3.43Å; T393-L396 HydrophobicContact CG2-CG 3.54Å
394	E	69.3	Low	86.5	Confident	202 Å²	202	54.5 Å²	54.5	94%	0.944	28%	0.277	S	S	*	.	S	Bend	trans	-71.4	-34.5	-179.9	-66.3	176.2	173.3	0	0	112.2
395	D	76.8	Confident	86.5	Confident	74 Å²	74	52.5 Å²	52.5	40%	0.396	27%	0.268	S	S	.	.			trans	-125.2	101.2	173.9	179.3	29.5	0	0	0	112.1	T397 S398	D395-T397 WeakPolarHBondContact OD1-CA 3.42Å; D395-T397 WeakPolarHBondContact OD1-CB 3.36Å; D395-T397 PolarHBondContact OD1-N 3.26Å; D395-T397 PolarHBondContact OD1-OG1 2.9Å; D395-S398 VanDerWaalsContact OD2-CB 3.3Å; D395-S398 WeakPolarHBondContact OD2-CB 3.35Å; D395-S398 PolarHBondContact OD2-OG 3.39Å
396	L	82.4	Confident	86.5	Confident	37 Å²	37	52.7 Å²	52.7	19%	0.194	27%	0.268	C	S	.	.			trans	-80.2	-21	171.1	-78.2	165.9	0	0	0	112.5	Y356 K390 T393 S398 H399 V400	Y356-L396 HydrophobicContact CD1-CD2 4.44Å; K390-L396 HydrophobicContact CB-CD1 4.18Å; K390-L396 HydrophobicContact CD-CD1 4.07Å; T393-L396 HydrophobicContact CG2-CB 4.39Å; T393-L396 HydrophobicContact CG2-CD2 3.43Å; T393-L396 VanDerWaalsContact CG2-CD2 3.43Å; T393-L396 HydrophobicContact CG2-CG 3.54Å; L396-S398 PolarHBondContact O-N 3.1Å; L396-H399 PolarHBondContact O-N 3.48Å; L396-V400 WeakPolarHBondContact O-CB 3.31Å; L396-V400 VanDerWaalsContact O-CG2 3.24Å; L396-V400 WeakPolarHBondContact O-CG2 3.49Å; L396-V400 PolarHBondContact O-N 2.77Å
397	T	85.4	Confident	87	Confident	67 Å²	67	48.2 Å²	48.2	41%	0.411	25%	0.248	S	C	.	.	H	α-helix	trans	-65.6	-44.7	-166.9	-48.9	0	0	0	0	111.2	D395 R401 W423	D395-T397 WeakPolarHBondContact OD1-CA 3.42Å; D395-T397 WeakPolarHBondContact OD1-CB 3.36Å; D395-T397 PolarHBondContact OD1-N 3.26Å; D395-T397 PolarHBondContact OD1-OG1 2.9Å; T397-R401 WeakPolarHBondContact O-CB 3.21Å; T397-R401 PolarHBondContact O-N 3.36Å; T397-W423 HydrophobicContact CG2-CZ3 4.04Å
398	S	88.8	Confident	87.4	Confident	57 Å²	57	46.7 Å²	46.7	40%	0.399	24%	0.242	S	C	.	.	H	α-helix	trans	-60.2	-47.6	178.4	51.4	0	0	0	0	112.3	D395 L396 R402	D395-S398 VanDerWaalsContact OD2-CB 3.3Å; D395-S398 WeakPolarHBondContact OD2-CB 3.35Å; D395-S398 PolarHBondContact OD2-OG 3.39Å; L396-S398 PolarHBondContact O-N 3.1Å; S398-R402 WeakPolarHBondContact O-CB 3.45Å; S398-R402 PolarHBondContact O-N 2.87Å
399	H	90.9	Very high	87.8	Confident	42 Å²	42	46.1 Å²	46.1	19%	0.194	23%	0.231	C	C	.	.	H	α-helix	trans	-66.3	-46.9	178.9	-63.4	-61.6	0	0	0	112.6	E354 L396 R401 R402 N403	E354-H399 IonicContact OE2-CE1 2.88Å; E354-H399 IonicContact OE2-ND1 3.07Å; E354-H399 PolarHBondContact OE2-ND1 3.33Å; L396-H399 PolarHBondContact O-N 3.48Å; H399-R401 PolarHBondContact O-N 2.97Å; H399-R402 PolarHBondContact O-N 3.07Å; H399-N403 WeakPolarHBondContact O-CB 3.49Å; H399-N403 PolarHBondContact O-N 2.89Å; H399-N403 PolarHBondContact O-ND2 2.89Å
400	V	92.3	Very high	88.3	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.03	22%	0.216	C	C	.	.	H	α-helix	trans	-63.3	-44.2	-179.9	177.1	0	0	0	0	110.4	W307 Y356 L396 R402 N403 A404 W423	W307-V400 HydrophobicContact CH2-CB 4.25Å; W307-V400 HydrophobicContact CH2-CG1 3.69Å; W307-V400 HydrophobicContact CH2-CG2 4.04Å; W307-V400 HydrophobicContact CZ2-CG1 3.98Å; W307-V400 HydrophobicContact CZ3-CG1 4.09Å; W307-V400 HydrophobicContact CZ3-CG2 4.46Å; Y356-V400 HydrophobicContact CD1-CG2 4.49Å; L396-V400 WeakPolarHBondContact O-CB 3.31Å; L396-V400 VanDerWaalsContact O-CG2 3.24Å; L396-V400 WeakPolarHBondContact O-CG2 3.49Å; L396-V400 PolarHBondContact O-N 2.77Å; V400-R402 PolarHBondContact O-N 2.91Å; V400-N403 PolarHBondContact O-N 3.04Å; V400-A404 WeakPolarHBondContact O-CB 3.3Å; V400-A404 PolarHBondContact O-N 3.32Å; V400-W423 HydrophobicContact CB-CH2 4.41Å; V400-W423 HydrophobicContact CG1-CH2 3.99Å; V400-W423 HydrophobicContact CG1-CZ2 3.8Å
401	R	94.1	Very high	89.1	Confident	76 Å²	76	38.5 Å²	38.5	29%	0.287	20%	0.197	S	C	.	.	H	α-helix	trans	-58.7	-48.5	175.7	-175.2	-175.2	-60.4	177.6	0.8	111.3	T397 H399 N403 A404 L405 W423 V425 I432	T397-R401 WeakPolarHBondContact O-CB 3.21Å; T397-R401 PolarHBondContact O-N 3.36Å; H399-R401 PolarHBondContact O-N 2.97Å; R401-N403 PolarHBondContact O-N 2.93Å; R401-A404 PolarHBondContact O-N 3.48Å; R401-L405 WeakPolarHBondContact O-CG 3.18Å; R401-L405 PolarHBondContact O-N 3.08Å; R401-L405 VanDerWaalsContact O-N 3.12Å; R401-W423 HydrophobicContact CB-CD2 4.1Å; R401-W423 HydrophobicContact CB-CE3 3.91Å; R401-W423 HydrophobicContact CB-CH2 4.4Å; R401-W423 HydrophobicContact CB-CZ3 4.05Å; R401-W423 HydrophobicContact CG-CB 4.29Å; R401-W423 HydrophobicContact CG-CD2 3.89Å; R401-W423 HydrophobicContact CG-CE3 3.87Å; R401-W423 HydrophobicContact CG-CG 4.1Å; R401-V425 HydrophobicContact CG-CG2 4.42Å; R401-I432 HydrophobicContact CG-CD1 4.01Å
402	R	95.6	Very high	90.1	Very high	29 Å²	29	35.8 Å²	35.8	11%	0.109	18%	0.179	C	C	.	.	H	α-helix	trans	-59.1	-47.9	177.9	-176.9	-172	171.1	-82.3	6.4	111.7	G352 E354 S398 H399 V400 A404 L405 R406 I432 D433 I434	G352-R402 PolarHBondContact O-NH1 2.88Å; G352-R402 PolarHBondContact O-NH2 3.43Å; E354-R402 IonicContact OE1-CZ 2.82Å; E354-R402 VanDerWaalsContact OE1-CZ 3.3Å; E354-R402 IonicContact OE1-NE 3.62Å; E354-R402 PolarHBondContact OE1-NE 3.37Å; E354-R402 IonicContact OE1-NH1 3.3Å; E354-R402 IonicContact OE1-NH2 2.87Å; S398-R402 WeakPolarHBondContact O-CB 3.45Å; S398-R402 PolarHBondContact O-N 2.87Å; H399-R402 PolarHBondContact O-N 3.07Å; V400-R402 PolarHBondContact O-N 2.91Å; R402-A404 VanDerWaalsContact C-N 3.34Å; R402-A404 PolarHBondContact O-N 3.22Å; R402-L405 PolarHBondContact O-N 3.19Å; R402-R406 PolarHBondContact O-N 3.22Å; R402-R406 VanDerWaalsContact O-N 3.13Å; R402-I432 HydrophobicContact CB-CG2 4.26Å; R402-I432 HydrophobicContact CG-CG2 4.24Å; R402-D433 WeakPolarHBondContact CD-O 3.42Å; R402-D433 PolarHBondContact NE-O 2.95Å; R402-I434 PolarHBondContact NH2-O 3.1Å
403	N	97	Very high	91.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.7	-41.5	179.3	-66.8	-15.9	0	0	0	111.2	M353 E354 Y356 G357 H399 V400 R401 L405 R406 V407	M353-N403 VanDerWaalsContact CA-OD1 3.3Å; M353-N403 WeakPolarHBondContact CA-OD1 3.38Å; M353-N403 HydrophobicContact CG-CB 4.2Å; M353-N403 HydrophobicContact SD-CB 4.47Å; E354-N403 PolarHBondContact N-OD1 3.43Å; E354-N403 PolarHBondContact O-ND2 3.32Å; Y356-N403 PolarHBondContact O-ND2 2.97Å; G357-N403 VanDerWaalsContact O-CB 3.27Å; G357-N403 WeakPolarHBondContact O-CB 3.44Å; G357-N403 PolarHBondContact O-ND2 3.36Å; G357-N403 VanDerWaalsContact O-ND2 3.16Å; H399-N403 WeakPolarHBondContact O-CB 3.49Å; H399-N403 PolarHBondContact O-N 2.89Å; H399-N403 PolarHBondContact O-ND2 2.89Å; V400-N403 PolarHBondContact O-N 3.04Å; R401-N403 PolarHBondContact O-N 2.93Å; N403-L405 VanDerWaalsContact C-N 3.33Å; N403-L405 PolarHBondContact O-N 3.41Å; N403-R406 WeakPolarHBondContact O-CB 3.29Å; N403-R406 PolarHBondContact O-N 3.48Å; N403-R406 VanDerWaalsContact O-N 3.12Å; N403-V407 WeakPolarHBondContact O-CG2 3.48Å; N403-V407 PolarHBondContact O-N 2.96Å; N403-V407 VanDerWaalsContact O-N 3.08Å
404	A	97.3	Very high	92.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	19%	0.188	C	C	.	.	H	α-helix	trans	-60.3	-41.5	177.5	0	0	0	0	0	112.5	L306 V400 R401 R402 R406 V407 A408 V419	L306-A404 HydrophobicContact CD1-CB 3.82Å; L306-A404 HydrophobicContact CG-CB 4.08Å; V400-A404 WeakPolarHBondContact O-CB 3.3Å; V400-A404 PolarHBondContact O-N 3.32Å; R401-A404 PolarHBondContact O-N 3.48Å; R402-A404 VanDerWaalsContact C-N 3.34Å; R402-A404 PolarHBondContact O-N 3.22Å; A404-R406 VanDerWaalsContact C-N 3.35Å; A404-R406 PolarHBondContact O-N 3.22Å; A404-V407 PolarHBondContact O-N 3.4Å; A404-A408 WeakPolarHBondContact O-CB 3.46Å; A404-A408 PolarHBondContact O-N 2.73Å; A404-V419 HydrophobicContact CB-CG1 4.04Å
405	L	97.5	Very high	94	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66	-35	175	-62.9	-175.3	0	0	0	112.7	R401 R402 N403 V407 A408 E409 V419 Y420 V425 I432 I434	R401-L405 WeakPolarHBondContact O-CG 3.18Å; R401-L405 PolarHBondContact O-N 3.08Å; R401-L405 VanDerWaalsContact O-N 3.12Å; R402-L405 PolarHBondContact O-N 3.19Å; N403-L405 VanDerWaalsContact C-N 3.33Å; N403-L405 PolarHBondContact O-N 3.41Å; L405-V407 VanDerWaalsContact C-N 3.35Å; L405-V407 PolarHBondContact O-N 3.05Å; L405-A408 PolarHBondContact O-N 3.01Å; L405-E409 WeakPolarHBondContact O-CB 3.5Å; L405-E409 WeakPolarHBondContact O-CG 3.39Å; L405-E409 PolarHBondContact O-N 2.93Å; L405-V419 HydrophobicContact CD2-CG1 4.14Å; L405-Y420 HydrophobicContact CD1-CE1 4.22Å; L405-Y420 HydrophobicContact CD2-CD1 3.96Å; L405-Y420 HydrophobicContact CD2-CD2 4.13Å; L405-Y420 HydrophobicContact CD2-CE1 3.8Å; L405-Y420 HydrophobicContact CD2-CE2 3.94Å; L405-Y420 HydrophobicContact CD2-CG 4.12Å; L405-V425 HydrophobicContact CD1-CG1 4.29Å; L405-I432 HydrophobicContact CD1-CB 4.19Å; L405-I432 HydrophobicContact CD1-CD1 3.75Å; L405-I432 HydrophobicContact CD1-CG2 4.17Å; L405-I434 HydrophobicContact CB-CG2 3.63Å; L405-I434 HydrophobicContact CD1-CG2 4.24Å
406	R	98.1	Very high	94.9	Very high	6 Å²	6	27.7 Å²	27.7	2%	0.023	14%	0.138	C	C	.	.	H	α-helix	trans	-60.1	-44.7	171.6	-70.2	-179.7	62.3	85.1	-2.1	111.6	D350 G352 R402 N403 A404 V410 I434 N436 I437	D350-R406 IonicContact OD1-CZ 3.73Å; D350-R406 IonicContact OD1-NH2 3.9Å; D350-R406 PolarHBondContact OD1-NH2 2.81Å; D350-R406 IonicContact OD2-CZ 3.85Å; D350-R406 VanDerWaalsContact OD2-CZ 3.25Å; D350-R406 IonicContact OD2-NE 3.25Å; D350-R406 PolarHBondContact OD2-NE 3.34Å; D350-R406 IonicContact OD2-NH2 2.85Å; D350-R406 PolarHBondContact OD2-NH2 3.17Å; G352-R406 PolarHBondContact O-NE 3.45Å; R402-R406 PolarHBondContact O-N 3.22Å; R402-R406 VanDerWaalsContact O-N 3.13Å; N403-R406 WeakPolarHBondContact O-CB 3.29Å; N403-R406 PolarHBondContact O-N 3.48Å; N403-R406 VanDerWaalsContact O-N 3.12Å; A404-R406 VanDerWaalsContact C-N 3.35Å; A404-R406 PolarHBondContact O-N 3.22Å; R406-V410 VanDerWaalsContact O-CG2 3.3Å; R406-V410 WeakPolarHBondContact O-CG2 3.31Å; R406-V410 PolarHBondContact O-N 2.72Å; R406-I434 VanDerWaalsContact CD-O 3.32Å; R406-I434 WeakPolarHBondContact CD-O 3.44Å; R406-I434 HydrophobicContact CG-CB 3.85Å; R406-I434 VanDerWaalsContact CG-O 3.3Å; R406-I434 WeakPolarHBondContact CG-O 3.25Å; R406-I434 PolarHBondContact NH1-O 2.94Å; R406-N436 PolarHBondContact NH1-O 3.46Å; R406-N436 PolarHBondContact NH2-O 3.21Å; R406-I437 HydrophobicContact CG-CG2 4.31Å
407	V	98.4	Very high	95.5	Very high	1 Å²	1	27 Å²	27	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-61.2	-47.9	176.3	-178.1	0	0	0	0	110.4	L306 M353 E362 I365 N403 A404 L405 E409 V410 W411 M412	L306-V407 HydrophobicContact CD1-CB 3.68Å; L306-V407 HydrophobicContact CD1-CG1 3.88Å; L306-V407 HydrophobicContact CD1-CG2 4Å; M353-V407 HydrophobicContact CE-CG2 3.34Å; E362-V407 HydrophobicContact CB-CG1 4.29Å; E362-V407 HydrophobicContact CB-CG2 3.71Å; E362-V407 HydrophobicContact CG-CG1 4.41Å; E362-V407 HydrophobicContact CG-CG2 3.95Å; I365-V407 HydrophobicContact CD1-CG1 4.03Å; N403-V407 WeakPolarHBondContact O-CG2 3.48Å; N403-V407 PolarHBondContact O-N 2.96Å; N403-V407 VanDerWaalsContact O-N 3.08Å; A404-V407 PolarHBondContact O-N 3.4Å; L405-V407 VanDerWaalsContact C-N 3.35Å; L405-V407 PolarHBondContact O-N 3.05Å; V407-E409 PolarHBondContact O-N 2.94Å; V407-V410 PolarHBondContact O-N 2.92Å; V407-W411 PolarHBondContact O-N 3.35Å; V407-M412 HydrophobicContact CG1-SD 4.36Å
408	A	98.1	Very high	96	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-57.1	-48.1	-178.8	0	0	0	0	0	112	A404 L405 V410 M412 K416 V419	A404-A408 WeakPolarHBondContact O-CB 3.46Å; A404-A408 PolarHBondContact O-N 2.73Å; L405-A408 PolarHBondContact O-N 3.01Å; A408-V410 VanDerWaalsContact C-N 3.29Å; A408-V410 PolarHBondContact O-N 2.82Å; A408-M412 HydrophobicContact CB-SD 4.07Å; A408-M412 PolarHBondContact O-N 3.07Å; A408-K416 HydrophobicContact CB-CB 3.91Å; A408-V419 HydrophobicContact CB-CB 3.91Å; A408-V419 HydrophobicContact CB-CG1 4.16Å; A408-V419 HydrophobicContact CB-CG2 3.88Å
409	E	97.8	Very high	96.3	Very high	38 Å²	38	21.3 Å²	21.3	18%	0.178	10%	0.098	C	C	.	.	H	α-helix	trans	-69.6	-21.6	-178	-77.4	-63.1	155.1	0	0	114.6	L405 V407 K416 Y420 I434 I437 K441	L405-E409 WeakPolarHBondContact O-CB 3.5Å; L405-E409 WeakPolarHBondContact O-CG 3.39Å; L405-E409 PolarHBondContact O-N 2.93Å; V407-E409 PolarHBondContact O-N 2.94Å; E409-K416 VanDerWaalsContact CD-NZ 3.26Å; E409-K416 WeakPolarHBondContact OE1-CD 3.27Å; E409-K416 IonicContact OE1-NZ 2.7Å; E409-K416 PolarHBondContact OE1-NZ 2.92Å; E409-K416 IonicContact OE2-NZ 3.04Å; E409-K416 PolarHBondContact OE2-NZ 2.82Å; E409-Y420 PolarHBondContact OE1-OH 2.97Å; E409-Y420 VanDerWaalsContact OE1-OH 3.1Å; E409-I434 HydrophobicContact CB-CD1 4.14Å; E409-I434 HydrophobicContact CG-CD1 3.76Å; E409-I437 HydrophobicContact CB-CD1 3.57Å; E409-I437 HydrophobicContact CG-CD1 4.48Å; E409-K441 WeakPolarHBondContact O-CE 3.36Å; E409-K441 PolarHBondContact O-NZ 3.33Å; E409-K441 IonicContact OE2-NZ 3.97Å
410	V	98.4	Very high	96.5	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.024	9%	0.091	C	C	.	.	H	α-helix	trans	-96.8	-43.2	-179.9	179.2	0	0	0	0	111.9	R406 V407 A408 I437 R440 K441 R444	R406-V410 VanDerWaalsContact O-CG2 3.3Å; R406-V410 WeakPolarHBondContact O-CG2 3.31Å; R406-V410 PolarHBondContact O-N 2.72Å; V407-V410 PolarHBondContact O-N 2.92Å; A408-V410 VanDerWaalsContact C-N 3.29Å; A408-V410 PolarHBondContact O-N 2.82Å; V410-I437 HydrophobicContact CG2-CB 3.87Å; V410-I437 HydrophobicContact CG2-CD1 4.14Å; V410-I437 HydrophobicContact CG2-CG1 4.49Å; V410-I437 HydrophobicContact CG2-CG2 4.2Å; V410-R440 HydrophobicContact CB-CB 4.48Å; V410-R440 HydrophobicContact CG1-CB 3.78Å; V410-R440 HydrophobicContact CG2-CB 3.84Å; V410-K441 HydrophobicContact CG2-CG 4.36Å; V410-R444 VanDerWaalsContact O-CD 3.24Å; V410-R444 WeakPolarHBondContact O-CD 3.22Å; V410-R444 PolarHBondContact O-NH1 2.61Å
411	W	98.6	Very high	96.6	Very high	1 Å²	1	19.5 Å²	19.5	0%	0.004	9%	0.089	C	C	.	.	H	α-helix	trans	-117.3	-17.2	-161.3	-60.7	109.9	0	0	0	115.1	E362 I365 R366 Q369 V407 R444 C449 F452	E362-W411 PolarHBondContact OE1-NE1 2.78Å; I365-W411 HydrophobicContact CG2-CB 3.85Å; I365-W411 HydrophobicContact CG2-CG 4.48Å; R366-W411 HydrophobicContact CB-CD2 4.36Å; R366-W411 HydrophobicContact CB-CE3 4.33Å; R366-W411 HydrophobicContact CB-CH2 3.83Å; R366-W411 HydrophobicContact CB-CZ2 3.88Å; R366-W411 HydrophobicContact CB-CZ3 4.04Å; R366-W411 VanDerWaalsContact CD-CH2 3.45Å; R366-W411 VanDerWaalsContact CD-CZ2 3.42Å; R366-W411 HydrophobicContact CG-CH2 3.45Å; R366-W411 VanDerWaalsContact CG-CH2 3.45Å; R366-W411 HydrophobicContact CG-CZ2 3.78Å; R366-W411 HydrophobicContact CG-CZ3 3.96Å; Q369-W411 PolarHBondContact NE2-O 3.49Å; Q369-W411 VanDerWaalsContact NE2-O 3.13Å; V407-W411 PolarHBondContact O-N 3.35Å; W411-R444 HydrophobicContact CE3-CB 4.43Å; W411-R444 HydrophobicContact CE3-CG 3.99Å; W411-R444 HydrophobicContact CH2-CB 3.87Å; W411-R444 HydrophobicContact CH2-CG 4.19Å; W411-R444 HydrophobicContact CZ3-CB 3.77Å; W411-R444 HydrophobicContact CZ3-CG 3.54Å; W411-C449 HydrophobicContact CZ3-CB 4.46Å; W411-F452 WeakPolarHBondContact O-CB 3.4Å; W411-F452 WeakPolarHBondContact O-CD2 3.37Å
412	M	98.3	Very high	96.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.08	C	C	.	.			trans	-103.8	3.4	-166.7	-56.5	-179.1	81.9	0	0	114.9	F302 W304 L306 V407 A408 E414 F415 K416 V419 F452	F302-M412 HydrophobicContact CE2-CE 4.4Å; W304-M412 HydrophobicContact CE3-CE 3.77Å; W304-M412 HydrophobicContact CZ3-CE 3.47Å; W304-M412 VanDerWaalsContact CZ3-CE 3.47Å; L306-M412 HydrophobicContact CD2-CE 4.12Å; L306-M412 HydrophobicContact CD2-SD 4.17Å; V407-M412 HydrophobicContact CG1-SD 4.36Å; A408-M412 HydrophobicContact CB-SD 4.07Å; A408-M412 PolarHBondContact O-N 3.07Å; M412-E414 PolarHBondContact O-N 3.04Å; M412-F415 CarbonylContact O-C 3.53Å; M412-F415 WeakPolarHBondContact O-CA 3.27Å; M412-F415 VanDerWaalsContact O-CB 3.31Å; M412-F415 WeakPolarHBondContact O-CB 3.31Å; M412-F415 PolarHBondContact O-N 3.38Å; M412-K416 PolarHBondContact O-N 3.49Å; M412-V419 HydrophobicContact CE-CG2 3.71Å; M412-V419 HydrophobicContact SD-CG2 3.46Å; M412-V419 WeakPolarHBondContact SD-CG2 3.42Å; M412-F452 HydrophobicContact CB-CD1 4.17Å; M412-F452 HydrophobicContact CB-CD2 4.44Å; M412-F452 HydrophobicContact CB-CE1 4.34Å; M412-F452 HydrophobicContact CB-CG 4.22Å; M412-F452 HydrophobicContact CE-CE1 3.71Å; M412-F452 HydrophobicContact CE-CE2 4.26Å; M412-F452 HydrophobicContact CE-CZ 3.49Å; M412-F452 VanDerWaalsContact CE-CZ 3.49Å; M412-F452 HydrophobicContact CG-CD2 4.18Å; M412-F452 HydrophobicContact CG-CE1 4.33Å; M412-F452 HydrophobicContact CG-CE2 4.02Å; M412-F452 HydrophobicContact CG-CG 4.44Å; M412-F452 HydrophobicContact CG-CZ 4.1Å
413	D	97.5	Very high	96.4	Very high	47 Å²	47	16.1 Å²	16.1	25%	0.251	8%	0.079	S	C	.	.	G	3₁₀ helix	trans	48.7	-129.1	172.9	-58.4	-34.8	0	0	0	112.9	F415 K416 R444 T451 F452	D413-F415 PolarHBondContact O-N 2.84Å; D413-K416 WeakPolarHBondContact O-CG 3.41Å; D413-K416 PolarHBondContact O-N 3.38Å; D413-R444 VanDerWaalsContact CG-NH2 3.27Å; D413-R444 IonicContact OD1-CZ 3.23Å; D413-R444 VanDerWaalsContact OD1-CZ 3.23Å; D413-R444 IonicContact OD1-NH1 2.67Å; D413-R444 PolarHBondContact OD1-NH1 2.9Å; D413-R444 IonicContact OD1-NH2 2.93Å; D413-R444 PolarHBondContact OD1-NH2 3.26Å; D413-R444 IonicContact OD2-CZ 3.85Å; D413-R444 IonicContact OD2-NH1 3.96Å; D413-R444 IonicContact OD2-NH2 2.84Å; D413-R444 PolarHBondContact OD2-NH2 2.99Å; D413-T451 WeakPolarHBondContact OD2-CA 3.34Å; D413-F452 HydrophobicContact CB-CB 4.3Å; D413-F452 PolarHBondContact OD2-N 3.06Å
414	E	94.8	Very high	96.2	Very high	105 Å²	105	17.4 Å²	17.4	49%	0.491	9%	0.086	S	C	.	.	G	3₁₀ helix	trans	-66.2	-19.6	176.7	69.3	-89.1	-150.2	0	0	113.6	M412 K416 S417	M412-E414 PolarHBondContact O-N 3.04Å; E414-K416 VanDerWaalsContact C-N 3.28Å; E414-K416 PolarHBondContact O-N 3.21Å; E414-S417 PolarHBondContact O-OG 3.23Å
415	F	96.1	Very high	96	Very high	5 Å²	5	17.6 Å²	17.6	2%	0.022	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-84.6	0.4	-179.3	-56.6	-90	0	0	0	113.2	W304 M412 D413 S417 H418 F452 R453 L456 M465	W304-F415 HydrophobicContact CH2-CB 4.1Å; W304-F415 HydrophobicContact CH2-CD1 4.31Å; W304-F415 HydrophobicContact CZ3-CB 4.14Å; M412-F415 CarbonylContact O-C 3.53Å; M412-F415 WeakPolarHBondContact O-CA 3.27Å; M412-F415 VanDerWaalsContact O-CB 3.31Å; M412-F415 WeakPolarHBondContact O-CB 3.31Å; M412-F415 PolarHBondContact O-N 3.38Å; D413-F415 PolarHBondContact O-N 2.84Å; F415-S417 PolarHBondContact O-N 3.1Å; F415-S417 VanDerWaalsContact O-N 3.16Å; F415-H418 AromaticContact CD1-CE1 3.8Å; F415-H418 WeakPolarHBondContact O-CB 3.32Å; F415-H418 PolarHBondContact O-N 2.87Å; F415-H418 PolarHBondContact O-ND1 3.34Å; F415-F452 HydrophobicContact CB-CD1 3.71Å; F415-F452 HydrophobicContact CB-CE1 4.02Å; F415-F452 HydrophobicContact CD2-CB 4.32Å; F415-F452 AromaticContact CD2-CD1 3.7Å; F415-F452 HydrophobicContact CD2-CD1 3.7Å; F415-F452 AromaticContact CG-CD1 3.86Å; F415-F452 HydrophobicContact CG-CD1 3.86Å; F415-F452 HydrophobicContact CG-CE1 4.38Å; F415-R453 HydrophobicContact CE2-CB 3.86Å; F415-R453 HydrophobicContact CE2-CG 4.29Å; F415-R453 HydrophobicContact CZ-CB 4.34Å; F415-R453 HydrophobicContact CZ-CG 4.27Å; F415-L456 HydrophobicContact CD1-CD1 3.73Å; F415-L456 HydrophobicContact CD2-CD1 4.15Å; F415-L456 HydrophobicContact CE1-CD1 3.73Å; F415-L456 HydrophobicContact CE2-CD1 4.15Å; F415-L456 HydrophobicContact CG-CD1 3.95Å; F415-L456 HydrophobicContact CZ-CD1 3.94Å; F415-M465 HydrophobicContact CD1-CG 4.49Å; F415-M465 HydrophobicContact CE1-CG 4.04Å; F415-M465 HydrophobicContact CE1-SD 3.6Å; F415-M465 VanDerWaalsContact CE1-SD 3.6Å; F415-M465 HydrophobicContact CZ-SD 4.09Å
416	K	95.9	Very high	95.8	Very high	60 Å²	60	19.7 Å²	19.7	26%	0.261	10%	0.1	S	C	.	.	H	α-helix	trans	-54.5	-33.4	171.6	69.9	-178.4	-173.1	159.6	0	111.5	A408 E409 M412 D413 E414 H418 V419 Y420	A408-K416 HydrophobicContact CB-CB 3.91Å; E409-K416 VanDerWaalsContact CD-NZ 3.26Å; E409-K416 WeakPolarHBondContact OE1-CD 3.27Å; E409-K416 IonicContact OE1-NZ 2.7Å; E409-K416 PolarHBondContact OE1-NZ 2.92Å; E409-K416 IonicContact OE2-NZ 3.04Å; E409-K416 PolarHBondContact OE2-NZ 2.82Å; M412-K416 PolarHBondContact O-N 3.49Å; D413-K416 WeakPolarHBondContact O-CG 3.41Å; D413-K416 PolarHBondContact O-N 3.38Å; E414-K416 VanDerWaalsContact C-N 3.28Å; E414-K416 PolarHBondContact O-N 3.21Å; K416-H418 PolarHBondContact O-N 3.31Å; K416-V419 WeakPolarHBondContact O-CB 3.34Å; K416-V419 PolarHBondContact O-N 2.87Å; K416-Y420 HydrophobicContact CB-CE2 4.48Å; K416-Y420 VanDerWaalsContact O-CD2 3.28Å; K416-Y420 WeakPolarHBondContact O-CD2 3.23Å; K416-Y420 PolarHBondContact O-N 3.31Å
417	S	94.6	Very high	95.4	Very high	22 Å²	22	22 Å²	22	15%	0.154	11%	0.113	C	C	.	.	H	α-helix	trans	-51	-33.3	176	53.1	0	0	0	0	113.1	E414 F415 V419 Y420 M421	E414-S417 PolarHBondContact O-OG 3.23Å; F415-S417 PolarHBondContact O-N 3.1Å; F415-S417 VanDerWaalsContact O-N 3.16Å; S417-V419 VanDerWaalsContact C-N 3.35Å; S417-Y420 PolarHBondContact O-N 2.83Å; S417-M421 WeakPolarHBondContact O-CB 3.29Å; S417-M421 VanDerWaalsContact O-CG 3.23Å; S417-M421 WeakPolarHBondContact O-CG 3.5Å; S417-M421 PolarHBondContact O-N 2.88Å
418	H	95.2	Very high	94.8	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.023	14%	0.143	C	C	.	.	H	α-helix	trans	-67.7	-36.1	-179.6	-61.1	58.8	0	0	0	112.3	W304 F415 K416 M421 A422 Y466	W304-H418 HydrophobicContact CB-CB 4.36Å; W304-H418 HydrophobicContact CD2-CB 3.35Å; W304-H418 AromaticContact CE2-CD2 3.66Å; W304-H418 HydrophobicContact CE3-CB 3.2Å; W304-H418 AromaticContact CE3-CG 4Å; W304-H418 HydrophobicContact CG-CB 3.88Å; W304-H418 HydrophobicContact CH2-CB 4.06Å; W304-H418 AromaticContact CH2-CD2 3.99Å; W304-H418 AromaticContact CH2-CG 3.93Å; W304-H418 HydrophobicContact CZ2-CB 4.21Å; W304-H418 AromaticContact CZ2-CD2 3.63Å; W304-H418 AromaticContact CZ2-CG 4Å; W304-H418 HydrophobicContact CZ3-CB 3.55Å; W304-H418 AromaticContact CZ3-CG 3.92Å; F415-H418 AromaticContact CD1-CE1 3.8Å; F415-H418 WeakPolarHBondContact O-CB 3.32Å; F415-H418 PolarHBondContact O-N 2.87Å; F415-H418 PolarHBondContact O-ND1 3.34Å; K416-H418 PolarHBondContact O-N 3.31Å; H418-M421 HydrophobicContact CB-CE 4.36Å; H418-M421 PolarHBondContact O-N 2.96Å; H418-A422 WeakPolarHBondContact O-CB 3.3Å; H418-A422 PolarHBondContact O-N 2.89Å; H418-Y466 PolarHBondContact CD2-N 3.05Å; H418-Y466 PolarHBondContact NE2-N 2.77Å; H418-Y466 PolarHBondContact NE2-O 2.83Å
419	V	95.6	Very high	94.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-68.4	-44.2	173.9	-176.4	0	0	0	0	110.5	W304 L306 A404 L405 A408 M412 K416 S417 M421 A422 W423	W304-V419 WeakPolarHBondContact O-CA 3.24Å; L306-V419 HydrophobicContact CD2-CG2 4.23Å; A404-V419 HydrophobicContact CB-CG1 4.04Å; L405-V419 HydrophobicContact CD2-CG1 4.14Å; A408-V419 HydrophobicContact CB-CB 3.91Å; A408-V419 HydrophobicContact CB-CG1 4.16Å; A408-V419 HydrophobicContact CB-CG2 3.88Å; M412-V419 HydrophobicContact CE-CG2 3.71Å; M412-V419 HydrophobicContact SD-CG2 3.46Å; M412-V419 WeakPolarHBondContact SD-CG2 3.42Å; K416-V419 WeakPolarHBondContact O-CB 3.34Å; K416-V419 PolarHBondContact O-N 2.87Å; S417-V419 VanDerWaalsContact C-N 3.35Å; V419-M421 VanDerWaalsContact C-N 3.31Å; V419-M421 PolarHBondContact O-N 3.09Å; V419-A422 PolarHBondContact O-N 3.06Å; V419-W423 PolarHBondContact O-N 3.23Å
420	Y	95.1	Very high	93.8	Very high	8 Å²	8	35.4 Å²	35.4	3%	0.031	18%	0.184	C	C	.	.	H	α-helix	trans	-61.1	-40.6	175	-78.3	-90.5	0	0	0	112.2	L405 E409 K416 S417 N424 V425 I427	L405-Y420 HydrophobicContact CD1-CE1 4.22Å; L405-Y420 HydrophobicContact CD2-CD1 3.96Å; L405-Y420 HydrophobicContact CD2-CD2 4.13Å; L405-Y420 HydrophobicContact CD2-CE1 3.8Å; L405-Y420 HydrophobicContact CD2-CE2 3.94Å; L405-Y420 HydrophobicContact CD2-CG 4.12Å; E409-Y420 PolarHBondContact OE1-OH 2.97Å; E409-Y420 VanDerWaalsContact OE1-OH 3.1Å; K416-Y420 HydrophobicContact CB-CE2 4.48Å; K416-Y420 VanDerWaalsContact O-CD2 3.28Å; K416-Y420 WeakPolarHBondContact O-CD2 3.23Å; K416-Y420 PolarHBondContact O-N 3.31Å; S417-Y420 PolarHBondContact O-N 2.83Å; Y420-N424 PolarHBondContact O-N 2.91Å; Y420-N424 VanDerWaalsContact O-N 3.09Å; Y420-V425 HydrophobicContact CD1-CB 4.06Å; Y420-V425 HydrophobicContact CD1-CG1 3.86Å; Y420-V425 HydrophobicContact CE1-CG1 4.12Å; Y420-V425 PolarHBondContact O-N 3.33Å; Y420-I427 HydrophobicContact CD1-CB 4.46Å; Y420-I427 HydrophobicContact CD1-CG1 4.09Å; Y420-I427 HydrophobicContact CD2-CG1 4.17Å; Y420-I427 HydrophobicContact CG-CG1 3.74Å
421	M	94.4	Very high	93.4	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-47.1	175.1	-77.8	-168.3	-62.4	0	0	112.1	S417 H418 V419 W423 N424 T469 Y472 Y509 L604	S417-M421 WeakPolarHBondContact O-CB 3.29Å; S417-M421 VanDerWaalsContact O-CG 3.23Å; S417-M421 WeakPolarHBondContact O-CG 3.5Å; S417-M421 PolarHBondContact O-N 2.88Å; H418-M421 HydrophobicContact CB-CE 4.36Å; H418-M421 PolarHBondContact O-N 2.96Å; V419-M421 VanDerWaalsContact C-N 3.31Å; V419-M421 PolarHBondContact O-N 3.09Å; M421-W423 PolarHBondContact O-N 3.18Å; M421-N424 PolarHBondContact O-N 3.34Å; M421-N424 VanDerWaalsContact O-N 3.12Å; M421-T469 HydrophobicContact SD-CG2 3.53Å; M421-T469 VanDerWaalsContact SD-CG2 3.53Å; M421-Y472 HydrophobicContact CB-CD2 4.21Å; M421-Y472 HydrophobicContact CB-CE2 4.46Å; M421-Y472 HydrophobicContact CB-CG 4.38Å; M421-Y472 HydrophobicContact CG-CD1 3.69Å; M421-Y472 HydrophobicContact CG-CD2 3.88Å; M421-Y472 HydrophobicContact CG-CE1 3.97Å; M421-Y472 HydrophobicContact CG-CE2 4.13Å; M421-Y472 HydrophobicContact CG-CG 3.64Å; M421-Y472 HydrophobicContact SD-CD1 4.35Å; M421-Y472 HydrophobicContact SD-CG 4.44Å; M421-Y509 HydrophobicContact CB-CE1 4.06Å; M421-Y509 HydrophobicContact SD-CD1 4.31Å; M421-L604 HydrophobicContact SD-CD1 3.98Å
422	A	92.8	Very high	93.2	Very high	11 Å²	11	40.7 Å²	40.7	9%	0.091	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-45.6	-178.3	0	0	0	0	0	111.6	W304 E305 H418 V419 N424	W304-A422 HydrophobicContact CB-CB 3.9Å; E305-A422 HydrophobicContact CG-CB 3.59Å; H418-A422 WeakPolarHBondContact O-CB 3.3Å; H418-A422 PolarHBondContact O-N 2.89Å; V419-A422 PolarHBondContact O-N 3.06Å; A422-N424 PolarHBondContact O-N 3.39Å
423	W	92.4	Very high	93	Very high	24 Å²	24	46.9 Å²	46.9	9%	0.091	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	0	176.4	-73	101.2	0	0	0	114.8	E305 W307 T397 V400 R401 V419 M421 V425	E305-W423 HydrophobicContact CB-CZ2 4.12Å; E305-W423 PolarHBondContact O-NE1 2.9Å; E305-W423 VanDerWaalsContact O-NE1 3.12Å; W307-W423 AromaticContact CZ2-CH2 3.98Å; W307-W423 HydrophobicContact CZ2-CH2 3.98Å; W307-W423 HydrophobicContact CZ2-CZ2 4.38Å; T397-W423 HydrophobicContact CG2-CZ3 4.04Å; V400-W423 HydrophobicContact CB-CH2 4.41Å; V400-W423 HydrophobicContact CG1-CH2 3.99Å; V400-W423 HydrophobicContact CG1-CZ2 3.8Å; R401-W423 HydrophobicContact CB-CD2 4.1Å; R401-W423 HydrophobicContact CB-CE3 3.91Å; R401-W423 HydrophobicContact CB-CH2 4.4Å; R401-W423 HydrophobicContact CB-CZ3 4.05Å; R401-W423 HydrophobicContact CG-CB 4.29Å; R401-W423 HydrophobicContact CG-CD2 3.89Å; R401-W423 HydrophobicContact CG-CE3 3.87Å; R401-W423 HydrophobicContact CG-CG 4.1Å; V419-W423 PolarHBondContact O-N 3.23Å; M421-W423 PolarHBondContact O-N 3.18Å; W423-V425 VanDerWaalsContact C-N 3.26Å; W423-V425 HydrophobicContact CB-CG2 3.87Å; W423-V425 PolarHBondContact O-N 3.25Å
424	N	93.8	Very high	92.9	Very high	26 Å²	26	46 Å²	46	14%	0.139	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	42.9	-173.8	-173.4	30.1	0	0	0	113.6	Y420 M421 A422 G473 G502 N602	Y420-N424 PolarHBondContact O-N 2.91Å; Y420-N424 VanDerWaalsContact O-N 3.09Å; M421-N424 PolarHBondContact O-N 3.34Å; M421-N424 VanDerWaalsContact O-N 3.12Å; A422-N424 PolarHBondContact O-N 3.39Å; N424-G473 WeakPolarHBondContact OD1-CA 3.36Å; N424-G502 PolarHBondContact ND2-O 2.9Å; N424-N602 PolarHBondContact OD1-ND2 3.37Å
425	V	93.5	Very high	93	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.03	25%	0.247	C	C	.	.			trans	-105.8	133.8	179.4	177	0	0	0	0	109	R401 L405 Y420 W423 S430 I432 Y472	R401-V425 HydrophobicContact CG-CG2 4.42Å; L405-V425 HydrophobicContact CD1-CG1 4.29Å; Y420-V425 HydrophobicContact CD1-CB 4.06Å; Y420-V425 HydrophobicContact CD1-CG1 3.86Å; Y420-V425 HydrophobicContact CE1-CG1 4.12Å; Y420-V425 PolarHBondContact O-N 3.33Å; W423-V425 VanDerWaalsContact C-N 3.26Å; W423-V425 HydrophobicContact CB-CG2 3.87Å; W423-V425 PolarHBondContact O-N 3.25Å; V425-S430 VanDerWaalsContact CG1-CB 3.41Å; V425-I432 HydrophobicContact CG1-CD1 4Å; V425-I432 HydrophobicContact CG2-CD1 3.91Å; V425-Y472 PolarHBondContact O-OH 3Å
426	P	92.4	Very high	93	Very high	44 Å²	44	47.7 Å²	47.7	29%	0.286	28%	0.276	S	S	.	.			trans	-64.4	137.9	173.6	24.6	-30	0	0	0	111	E428 S430 N602	P426-E428 WeakPolarHBondContact CB-O 3.47Å; P426-S430 WeakPolarHBondContact O-CA 3.34Å; P426-S430 WeakPolarHBondContact O-CB 3.29Å; P426-N602 WeakPolarHBondContact CB-OD1 3.24Å
427	I	89.4	Confident	93.1	Very high	55 Å²	55	45.7 Å²	45.7	28%	0.282	27%	0.268	S	S	.	.	S	Bend	trans	-67	-43.4	178.4	-62.2	-174.2	0	0	0	110.8	Y420 Y472 L604	Y420-I427 HydrophobicContact CD1-CB 4.46Å; Y420-I427 HydrophobicContact CD1-CG1 4.09Å; Y420-I427 HydrophobicContact CD2-CG1 4.17Å; Y420-I427 HydrophobicContact CG-CG1 3.74Å; I427-Y472 PolarHBondContact N-OH 3.01Å; I427-L604 HydrophobicContact CD1-CD2 3.25Å; I427-L604 HydrophobicContact CG1-CD2 4.08Å
428	E	86.3	Confident	93.3	Very high	137 Å²	137	48.1 Å²	48.1	64%	0.64	29%	0.285	S	S	*	.	S	Bend	trans	-88.7	126.7	173.9	-64.6	178.3	-175.2	0	0	108.4	P426	P426-E428 WeakPolarHBondContact CB-O 3.47Å
429	D	85.3	Confident	93.4	Very high	152 Å²	152	55.7 Å²	55.7	81%	0.813	32%	0.32	S	S	*	.	S	Bend	trans	56.9	56.2	178.8	-162.9	23.4	0	0	0	113.9	G431	D429-G431 PolarHBondContact O-N 3.49Å
430	S	89.6	Confident	93.6	Very high	31 Å²	31	56.7 Å²	56.7	22%	0.217	32%	0.324	C	S	.	.			trans	-57	-19.6	177.9	64.2	0	0	0	0	114.4	V425 P426 I432	V425-S430 VanDerWaalsContact CG1-CB 3.41Å; P426-S430 WeakPolarHBondContact O-CA 3.34Å; P426-S430 WeakPolarHBondContact O-CB 3.29Å; S430-I432 PolarHBondContact O-N 2.65Å; S430-I432 VanDerWaalsContact O-N 3.15Å; S430-I432 PolarHBondContact OG-N 3.27Å
431	G	90.8	Very high	93.7	Very high	73 Å²	73	60.2 Å²	60.2	75%	0.753	34%	0.34	S	S	*	.			trans	65.8	4.6	-169.7	0	0	0	0	0	114.2	D429	D429-G431 PolarHBondContact O-N 3.49Å
432	I	93.3	Very high	93.9	Very high	43 Å²	43	62.6 Å²	62.6	22%	0.221	36%	0.36	C	S	.	.			trans	-106	116.5	-177.2	-62.4	167.9	0	0	0	109	R401 R402 L405 V425 S430 I434	R401-I432 HydrophobicContact CG-CD1 4.01Å; R402-I432 HydrophobicContact CB-CG2 4.26Å; R402-I432 HydrophobicContact CG-CG2 4.24Å; L405-I432 HydrophobicContact CD1-CB 4.19Å; L405-I432 HydrophobicContact CD1-CD1 3.75Å; L405-I432 HydrophobicContact CD1-CG2 4.17Å; V425-I432 HydrophobicContact CG1-CD1 4Å; V425-I432 HydrophobicContact CG2-CD1 3.91Å; S430-I432 PolarHBondContact O-N 2.65Å; S430-I432 VanDerWaalsContact O-N 3.15Å; S430-I432 PolarHBondContact OG-N 3.27Å; I432-I434 HydrophobicContact CG2-CG2 4.12Å; I432-I434 PolarHBondContact O-N 3.08Å; I432-I434 VanDerWaalsContact O-N 3.13Å
433	D	94.8	Very high	94.2	Very high	130 Å²	130	62.5 Å²	62.5	70%	0.695	36%	0.358	S	S	*	.			trans	-75.8	99.3	172.1	-177.9	13.7	0	0	0	110.6	R402 G435	R402-D433 WeakPolarHBondContact CD-O 3.42Å; R402-D433 PolarHBondContact NE-O 2.95Å; D433-G435 PolarHBondContact O-N 3.3Å; D433-G435 WeakPolarHBondContact OD1-CA 3.46Å; D433-G435 PolarHBondContact OD1-N 3.13Å
434	I	95.6	Very high	94.5	Very high	28 Å²	28	63 Å²	63	14%	0.144	36%	0.359	C	S	.	.			trans	-79.5	-2	175.7	66.2	169.6	0	0	0	112.8	R402 L405 R406 E409 I432 I437	R402-I434 PolarHBondContact NH2-O 3.1Å; L405-I434 HydrophobicContact CB-CG2 3.63Å; L405-I434 HydrophobicContact CD1-CG2 4.24Å; R406-I434 VanDerWaalsContact CD-O 3.32Å; R406-I434 WeakPolarHBondContact CD-O 3.44Å; R406-I434 HydrophobicContact CG-CB 3.85Å; R406-I434 VanDerWaalsContact CG-O 3.3Å; R406-I434 WeakPolarHBondContact CG-O 3.25Å; R406-I434 PolarHBondContact NH1-O 2.94Å; E409-I434 HydrophobicContact CB-CD1 4.14Å; E409-I434 HydrophobicContact CG-CD1 3.76Å; I432-I434 HydrophobicContact CG2-CG2 4.12Å; I432-I434 PolarHBondContact O-N 3.08Å; I432-I434 VanDerWaalsContact O-N 3.13Å; I434-I437 HydrophobicContact CD1-CD1 4.2Å
435	G	96.1	Very high	94.7	Very high	28 Å²	28	69.8 Å²	69.8	29%	0.289	39%	0.388	S	S	.	.			trans	69.1	-174.2	-177.5	0	0	0	0	0	114.5	D433	D433-G435 PolarHBondContact O-N 3.3Å; D433-G435 WeakPolarHBondContact OD1-CA 3.46Å; D433-G435 PolarHBondContact OD1-N 3.13Å
436	N	97.3	Very high	94.9	Very high	118 Å²	118	78.4 Å²	78.4	63%	0.631	42%	0.42	S	S	*	.			trans	-72.5	130.7	179.4	-170.9	1.6	0	0	0	111.4	R406 S438	R406-N436 PolarHBondContact NH1-O 3.46Å; R406-N436 PolarHBondContact NH2-O 3.21Å; N436-S438 WeakPolarHBondContact OD1-CB 3.49Å; N436-S438 PolarHBondContact OD1-N 2.8Å; N436-S438 PolarHBondContact OD1-OG 3.1Å
437	I	97.9	Very high	95.2	Very high	18 Å²	18	78.9 Å²	78.9	9%	0.092	42%	0.42	C	S	.	.			trans	-122.1	9.6	177.2	60.2	176.1	0	0	0	112.8	R406 E409 V410 I434 E439 R440 K441	R406-I437 HydrophobicContact CG-CG2 4.31Å; E409-I437 HydrophobicContact CB-CD1 3.57Å; E409-I437 HydrophobicContact CG-CD1 4.48Å; V410-I437 HydrophobicContact CG2-CB 3.87Å; V410-I437 HydrophobicContact CG2-CD1 4.14Å; V410-I437 HydrophobicContact CG2-CG1 4.49Å; V410-I437 HydrophobicContact CG2-CG2 4.2Å; I434-I437 HydrophobicContact CD1-CD1 4.2Å; I437-E439 VanDerWaalsContact C-N 3.33Å; I437-E439 PolarHBondContact O-N 3.49Å; I437-R440 PolarHBondContact O-N 2.94Å; I437-K441 HydrophobicContact CD1-CD 4.23Å; I437-K441 VanDerWaalsContact CD1-CE 3.5Å; I437-K441 HydrophobicContact CG1-CD 4.29Å; I437-K441 PolarHBondContact O-N 2.98Å
438	S	98.3	Very high	95.6	Very high	74 Å²	74	84.5 Å²	84.5	52%	0.517	45%	0.445	S	S	.	.	H	α-helix	trans	-60.3	-41.4	-174.4	-58.2	0	0	0	0	112.3	N436 K441 A442	N436-S438 WeakPolarHBondContact OD1-CB 3.49Å; N436-S438 PolarHBondContact OD1-N 2.8Å; N436-S438 PolarHBondContact OD1-OG 3.1Å; S438-K441 PolarHBondContact O-N 2.82Å; S438-A442 WeakPolarHBondContact O-CB 3.09Å; S438-A442 PolarHBondContact O-N 3.48Å
439	E	97.8	Very high	96.2	Very high	163 Å²	163	78.9 Å²	78.9	76%	0.762	42%	0.421	S	S	*	.	H	α-helix	trans	-66.8	-39.9	178.5	-65.6	-173	168.2	0	0	112.2	I437 A442 L443	I437-E439 VanDerWaalsContact C-N 3.33Å; I437-E439 PolarHBondContact O-N 3.49Å; E439-A442 PolarHBondContact O-N 3.03Å; E439-L443 VanDerWaalsContact O-CB 3.31Å; E439-L443 WeakPolarHBondContact O-CB 3.31Å; E439-L443 PolarHBondContact O-N 3Å
440	R	98.4	Very high	96.9	Very high	21 Å²	21	77.1 Å²	77.1	8%	0.079	41%	0.406	C	S	.	.	H	α-helix	trans	-64.5	-42.3	175.7	-56.2	-55.9	-63.7	176.4	-4.4	111.2	G347 E362 R366 V410 I437 L443 R444	G347-R440 PolarHBondContact O-NH1 2.94Å; E362-R440 IonicContact OE1-CZ 2.73Å; E362-R440 IonicContact OE1-NE 3.62Å; E362-R440 IonicContact OE1-NH2 2.95Å; E362-R440 PolarHBondContact OE1-NH2 3.06Å; E362-R440 IonicContact OE2-NH2 3.56Å; R366-R440 VanDerWaalsContact NE-NH2 3.16Å; V410-R440 HydrophobicContact CB-CB 4.48Å; V410-R440 HydrophobicContact CG1-CB 3.78Å; V410-R440 HydrophobicContact CG2-CB 3.84Å; I437-R440 PolarHBondContact O-N 2.94Å; R440-L443 WeakPolarHBondContact O-CB 3.49Å; R440-L443 PolarHBondContact O-N 3.27Å; R440-R444 PolarHBondContact O-N 3.32Å
441	K	98.4	Very high	97.3	Very high	82 Å²	82	79.2 Å²	79.2	36%	0.357	42%	0.417	S	S	.	.	H	α-helix	trans	-63.9	-40	173.5	-73.5	-176.7	170.6	175.7	0	112.2	E409 V410 I437 S438 K445	E409-K441 WeakPolarHBondContact O-CE 3.36Å; E409-K441 PolarHBondContact O-NZ 3.33Å; E409-K441 IonicContact OE2-NZ 3.97Å; V410-K441 HydrophobicContact CG2-CG 4.36Å; I437-K441 HydrophobicContact CD1-CD 4.23Å; I437-K441 VanDerWaalsContact CD1-CE 3.5Å; I437-K441 HydrophobicContact CG1-CD 4.29Å; I437-K441 PolarHBondContact O-N 2.98Å; S438-K441 PolarHBondContact O-N 2.82Å; K441-K445 WeakPolarHBondContact O-CG 3.31Å; K441-K445 PolarHBondContact O-N 2.96Å
442	A	98.6	Very high	97.7	Very high	52 Å²	52	75.7 Å²	75.7	43%	0.43	38%	0.381	S	S	.	.	H	α-helix	trans	-67.1	-40.7	176.7	0	0	0	0	0	112	S438 E439 K445 R446	S438-A442 WeakPolarHBondContact O-CB 3.09Å; S438-A442 PolarHBondContact O-N 3.48Å; E439-A442 PolarHBondContact O-N 3.03Å; A442-K445 PolarHBondContact O-N 3.3Å; A442-R446 WeakPolarHBondContact O-CB 3.25Å; A442-R446 PolarHBondContact O-N 3.1Å
443	L	98.5	Very high	97.9	Very high	9 Å²	9	81 Å²	81	5%	0.047	40%	0.398	C	S	.	.	H	α-helix	trans	-58.2	-50.4	173.9	176.5	68.5	0	0	0	111.3	I346 E439 R440 K445 R446 L447	I346-L443 WeakPolarHBondContact O-CD2 3.38Å; E439-L443 VanDerWaalsContact O-CB 3.31Å; E439-L443 WeakPolarHBondContact O-CB 3.31Å; E439-L443 PolarHBondContact O-N 3Å; R440-L443 WeakPolarHBondContact O-CB 3.49Å; R440-L443 PolarHBondContact O-N 3.27Å; L443-K445 VanDerWaalsContact C-N 3.28Å; L443-K445 PolarHBondContact O-N 3.46Å; L443-R446 PolarHBondContact O-N 3.25Å; L443-R446 VanDerWaalsContact O-N 3.14Å; L443-L447 HydrophobicContact CD1-CD1 3.76Å; L443-L447 HydrophobicContact CD1-CG 4.13Å; L443-L447 HydrophobicContact CG-CD1 3.98Å; L443-L447 WeakPolarHBondContact O-CG 3.06Å; L443-L447 PolarHBondContact O-N 3.34Å
444	R	98.5	Very high	98	Very high	33 Å²	33	78.6 Å²	78.6	13%	0.125	38%	0.38	C	S	.	.	H	α-helix	trans	-55	-42.7	176.9	-176.1	174.5	-176.3	-153.3	-7	112.3	V410 W411 D413 R440 Q448 C449 K450	V410-R444 VanDerWaalsContact O-CD 3.24Å; V410-R444 WeakPolarHBondContact O-CD 3.22Å; V410-R444 PolarHBondContact O-NH1 2.61Å; W411-R444 HydrophobicContact CE3-CB 4.43Å; W411-R444 HydrophobicContact CE3-CG 3.99Å; W411-R444 HydrophobicContact CH2-CB 3.87Å; W411-R444 HydrophobicContact CH2-CG 4.19Å; W411-R444 HydrophobicContact CZ3-CB 3.77Å; W411-R444 HydrophobicContact CZ3-CG 3.54Å; D413-R444 VanDerWaalsContact CG-NH2 3.27Å; D413-R444 IonicContact OD1-CZ 3.23Å; D413-R444 VanDerWaalsContact OD1-CZ 3.23Å; D413-R444 IonicContact OD1-NH1 2.67Å; D413-R444 PolarHBondContact OD1-NH1 2.9Å; D413-R444 IonicContact OD1-NH2 2.93Å; D413-R444 PolarHBondContact OD1-NH2 3.26Å; D413-R444 IonicContact OD2-CZ 3.85Å; D413-R444 IonicContact OD2-NH1 3.96Å; D413-R444 IonicContact OD2-NH2 2.84Å; D413-R444 PolarHBondContact OD2-NH2 2.99Å; R440-R444 PolarHBondContact O-N 3.32Å; R444-Q448 PolarHBondContact O-N 3.04Å; R444-C449 HydrophobicContact CG-CB 3.96Å; R444-C449 PolarHBondContact O-N 2.82Å; R444-C449 PolarHBondContact O-SG 2.74Å; R444-C449 VanDerWaalsContact O-SG 3.38Å; R444-K450 PolarHBondContact NH2-O 2.91Å
445	K	98.3	Very high	98.2	Very high	169 Å²	169	77.3 Å²	77.3	74%	0.735	37%	0.373	S	S	*	.	H	α-helix	trans	-65.6	-46.2	176.2	-71.3	177.5	-178.7	-177.2	0	112.2	K441 A442 L443 L447 Q448	K441-K445 WeakPolarHBondContact O-CG 3.31Å; K441-K445 PolarHBondContact O-N 2.96Å; A442-K445 PolarHBondContact O-N 3.3Å; L443-K445 VanDerWaalsContact C-N 3.28Å; L443-K445 PolarHBondContact O-N 3.46Å; K445-L447 VanDerWaalsContact C-N 3.34Å; K445-L447 PolarHBondContact O-N 3.4Å; K445-Q448 PolarHBondContact O-N 3.08Å; K445-Q448 VanDerWaalsContact O-N 3.1Å
446	R	98.4	Very high	98.2	Very high	186 Å²	186	76.1 Å²	76.1	70%	0.702	36%	0.36	S	S	*	.	H	α-helix	trans	-62.7	-39.5	-178.3	175.8	171.6	50.1	-156.5	-7.6	112.5	A442 L443 Q448	A442-R446 WeakPolarHBondContact O-CB 3.25Å; A442-R446 PolarHBondContact O-N 3.1Å; L443-R446 PolarHBondContact O-N 3.25Å; L443-R446 VanDerWaalsContact O-N 3.14Å; R446-Q448 PolarHBondContact O-N 3.28Å
447	L	98.3	Very high	98.2	Very high	55 Å²	55	74.8 Å²	74.8	29%	0.288	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-1.2	177.2	-66.1	175.9	0	0	0	113.3	C370 L443 K445 C449	C370-L447 HydrophobicContact CB-CB 4.3Å; C370-L447 HydrophobicContact CB-CD1 4.25Å; L443-L447 HydrophobicContact CD1-CD1 3.76Å; L443-L447 HydrophobicContact CD1-CG 4.13Å; L443-L447 HydrophobicContact CG-CD1 3.98Å; L443-L447 WeakPolarHBondContact O-CG 3.06Å; L443-L447 PolarHBondContact O-N 3.34Å; K445-L447 VanDerWaalsContact C-N 3.34Å; K445-L447 PolarHBondContact O-N 3.4Å; L447-C449 WeakPolarHBondContact CB-SG 3.33Å; L447-C449 PolarHBondContact O-N 3.05Å
448	Q	98.4	Very high	98.1	Very high	172 Å²	172	78.2 Å²	78.2	80%	0.804	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	41.1	-179.7	-57.9	-176.4	-26.9	0	0	113.1	R444 K445 R446	R444-Q448 PolarHBondContact O-N 3.04Å; K445-Q448 PolarHBondContact O-N 3.08Å; K445-Q448 VanDerWaalsContact O-N 3.1Å; R446-Q448 PolarHBondContact O-N 3.28Å
449	C	98.6	Very high	98	Very high	20 Å²	20	76.1 Å²	76.1	14%	0.135	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-66.4	148.8	-173.9	-46.9	0	0	0	0	112	Q369 C370 W411 R444 L447	Q369-C449 HydrophobicContact CB-CB 4.05Å; Q369-C449 CarbonylContact O-C 3Å; Q369-C449 VanDerWaalsContact O-CA 3.24Å; Q369-C449 WeakPolarHBondContact O-CA 3.47Å; Q369-C449 WeakPolarHBondContact O-CB 3.26Å; C370-C449 HydrophobicContact CB-CB 4.05Å; C370-C449 WeakPolarHBondContact CB-SG 3.49Å; C370-C449 WeakPolarHBondContact SG-CB 3.14Å; C370-C449 CovalentContact SG-SG 2.04Å; C370-C449 PolarHBondContact SG-SG 3.42Å; W411-C449 HydrophobicContact CZ3-CB 4.46Å; R444-C449 HydrophobicContact CG-CB 3.96Å; R444-C449 PolarHBondContact O-N 2.82Å; R444-C449 PolarHBondContact O-SG 2.74Å; R444-C449 VanDerWaalsContact O-SG 3.38Å; L447-C449 WeakPolarHBondContact CB-SG 3.33Å; L447-C449 PolarHBondContact O-N 3.05Å
450	K	98.7	Very high	97.9	Very high	115 Å²	115	68.4 Å²	68.4	50%	0.5	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-65.4	162.3	175.5	-56.2	-64.3	-178.2	-177	0	111.8	Q369 R444 W454	Q369-K450 WeakPolarHBondContact O-CG 3.36Å; Q369-K450 PolarHBondContact O-N 3.04Å; R444-K450 PolarHBondContact NH2-O 2.91Å; K450-W454 HydrophobicContact CB-CB 4.16Å; K450-W454 HydrophobicContact CB-CD2 3.78Å; K450-W454 HydrophobicContact CB-CE3 3.61Å; K450-W454 HydrophobicContact CB-CG 4.02Å; K450-W454 HydrophobicContact CB-CZ3 4.33Å; K450-W454 HydrophobicContact CG-CD2 3.87Å; K450-W454 HydrophobicContact CG-CE3 3.9Å; K450-W454 HydrophobicContact CG-CG 4.3Å; K450-W454 HydrophobicContact CG-CZ3 4.3Å
451	T	98.5	Very high	97.6	Very high	74 Å²	74	70.9 Å²	70.9	45%	0.454	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-69.4	157.9	174	58.7	0	0	0	0	112	D413 R453 W454 Y455	D413-T451 WeakPolarHBondContact OD2-CA 3.34Å; T451-R453 VanDerWaalsContact C-N 3.29Å; T451-R453 PolarHBondContact O-N 3.32Å; T451-W454 WeakPolarHBondContact O-CB 3.28Å; T451-W454 PolarHBondContact O-N 3.49Å; T451-W454 WeakPolarHBondContact OG1-CB 3.32Å; T451-W454 PolarHBondContact OG1-N 3.48Å; T451-Y455 PolarHBondContact O-N 2.85Å
452	F	98.4	Very high	97.3	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65.2	-32.4	172.6	-160.4	-111.3	0	0	0	112.9	F302 W304 I365 Q369 W411 M412 D413 F415 W454 Y455 L456	F302-F452 HydrophobicContact CZ-CZ 4.32Å; W304-F452 AromaticContact CH2-CE1 3.99Å; W304-F452 HydrophobicContact CH2-CE1 3.99Å; W304-F452 AromaticContact CZ3-CE1 3.94Å; W304-F452 HydrophobicContact CZ3-CE1 3.94Å; I365-F452 HydrophobicContact CD1-CE2 3.88Å; I365-F452 HydrophobicContact CG1-CE2 4.04Å; I365-F452 HydrophobicContact CG2-CD2 3.91Å; I365-F452 HydrophobicContact CG2-CE2 3.83Å; Q369-F452 VanDerWaalsContact NE2-N 3.12Å; W411-F452 WeakPolarHBondContact O-CB 3.4Å; W411-F452 WeakPolarHBondContact O-CD2 3.37Å; M412-F452 HydrophobicContact CB-CD1 4.17Å; M412-F452 HydrophobicContact CB-CD2 4.44Å; M412-F452 HydrophobicContact CB-CE1 4.34Å; M412-F452 HydrophobicContact CB-CG 4.22Å; M412-F452 HydrophobicContact CE-CE1 3.71Å; M412-F452 HydrophobicContact CE-CE2 4.26Å; M412-F452 HydrophobicContact CE-CZ 3.49Å; M412-F452 VanDerWaalsContact CE-CZ 3.49Å; M412-F452 HydrophobicContact CG-CD2 4.18Å; M412-F452 HydrophobicContact CG-CE1 4.33Å; M412-F452 HydrophobicContact CG-CE2 4.02Å; M412-F452 HydrophobicContact CG-CG 4.44Å; M412-F452 HydrophobicContact CG-CZ 4.1Å; D413-F452 HydrophobicContact CB-CB 4.3Å; D413-F452 PolarHBondContact OD2-N 3.06Å; F415-F452 HydrophobicContact CB-CD1 3.71Å; F415-F452 HydrophobicContact CB-CE1 4.02Å; F415-F452 HydrophobicContact CD2-CB 4.32Å; F415-F452 AromaticContact CD2-CD1 3.7Å; F415-F452 HydrophobicContact CD2-CD1 3.7Å; F415-F452 AromaticContact CG-CD1 3.86Å; F415-F452 HydrophobicContact CG-CD1 3.86Å; F415-F452 HydrophobicContact CG-CE1 4.38Å; F452-W454 VanDerWaalsContact C-N 3.3Å; F452-W454 PolarHBondContact O-N 3.02Å; F452-Y455 HydrophobicContact CD2-CD1 4.04Å; F452-Y455 HydrophobicContact CD2-CG 4.4Å; F452-Y455 AromaticContact CE2-CD1 3.56Å; F452-Y455 HydrophobicContact CE2-CD1 3.56Å; F452-Y455 AromaticContact CE2-CE1 3.99Å; F452-Y455 HydrophobicContact CE2-CE1 3.99Å; F452-Y455 HydrophobicContact CE2-CG 4.28Å; F452-Y455 HydrophobicContact CZ-CD1 4.01Å; F452-Y455 HydrophobicContact CZ-CE1 4.28Å; F452-Y455 WeakPolarHBondContact O-CA 3.46Å; F452-Y455 WeakPolarHBondContact O-CB 3.3Å; F452-Y455 PolarHBondContact O-N 2.95Å; F452-L456 HydrophobicContact CD1-CD1 3.83Å; F452-L456 HydrophobicContact CD1-CD2 4.49Å; F452-L456 HydrophobicContact CD1-CG 3.96Å; F452-L456 HydrophobicContact CE1-CD1 3.75Å; F452-L456 HydrophobicContact CE1-CD2 3.78Å; F452-L456 HydrophobicContact CE1-CG 3.74Å; F452-L456 HydrophobicContact CZ-CD2 4.02Å; F452-L456 HydrophobicContact CZ-CG 4.31Å; F452-L456 PolarHBondContact O-N 2.94Å
453	R	97.9	Very high	97.1	Very high	153 Å²	153	67.9 Å²	67.9	58%	0.577	32%	0.318	S	S	*	.	H	α-helix	trans	-56.5	-43.8	170.8	-166.8	170.2	-175.7	128.5	1.1	112.7	F415 T451 Y455 L456 V457	F415-R453 HydrophobicContact CE2-CB 3.86Å; F415-R453 HydrophobicContact CE2-CG 4.29Å; F415-R453 HydrophobicContact CZ-CB 4.34Å; F415-R453 HydrophobicContact CZ-CG 4.27Å; T451-R453 VanDerWaalsContact C-N 3.29Å; T451-R453 PolarHBondContact O-N 3.32Å; R453-Y455 VanDerWaalsContact C-N 3.32Å; R453-Y455 PolarHBondContact O-N 3.37Å; R453-L456 PolarHBondContact O-N 2.87Å; R453-V457 WeakPolarHBondContact O-CG2 3.48Å; R453-V457 PolarHBondContact O-N 3.31Å
454	W	98.3	Very high	96.8	Very high	81 Å²	81	69.5 Å²	69.5	31%	0.307	32%	0.324	S	S	.	.	H	α-helix	trans	-61.2	-42.9	175	175	91.2	0	0	0	111.1	W368 K450 T451 F452 V457 N458 I459	W368-W454 WeakPolarHBondContact O-CZ3 3.44Å; K450-W454 HydrophobicContact CB-CB 4.16Å; K450-W454 HydrophobicContact CB-CD2 3.78Å; K450-W454 HydrophobicContact CB-CE3 3.61Å; K450-W454 HydrophobicContact CB-CG 4.02Å; K450-W454 HydrophobicContact CB-CZ3 4.33Å; K450-W454 HydrophobicContact CG-CD2 3.87Å; K450-W454 HydrophobicContact CG-CE3 3.9Å; K450-W454 HydrophobicContact CG-CG 4.3Å; K450-W454 HydrophobicContact CG-CZ3 4.3Å; T451-W454 WeakPolarHBondContact O-CB 3.28Å; T451-W454 PolarHBondContact O-N 3.49Å; T451-W454 WeakPolarHBondContact OG1-CB 3.32Å; T451-W454 PolarHBondContact OG1-N 3.48Å; F452-W454 VanDerWaalsContact C-N 3.3Å; F452-W454 PolarHBondContact O-N 3.02Å; W454-V457 PolarHBondContact O-N 3.09Å; W454-N458 HydrophobicContact CD2-CB 4.45Å; W454-N458 HydrophobicContact CZ2-CB 4.19Å; W454-N458 PolarHBondContact NE1-ND2 3.17Å; W454-N458 WeakPolarHBondContact O-CB 3.27Å; W454-N458 PolarHBondContact O-N 2.89Å; W454-N458 PolarHBondContact O-ND2 2.9Å; W454-I459 HydrophobicContact CH2-CD1 4.05Å; W454-I459 HydrophobicContact CH2-CG1 4.04Å; W454-I459 HydrophobicContact CZ3-CD1 4.44Å; W454-I459 HydrophobicContact CZ3-CG1 3.92Å
455	Y	98.4	Very high	96.5	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-59.9	-50.1	177.3	172.5	-90	0	0	0	111.6	F302 P330 I365 W368 T451 F452 R453 V457 N458 I459 Y460	F302-Y455 HydrophobicContact CE1-CE1 4.23Å; F302-Y455 WeakPolarHBondContact CE1-OH 3.39Å; F302-Y455 HydrophobicContact CZ-CE1 4.14Å; P330-Y455 VanDerWaalsContact C-OH 3.28Å; P330-Y455 VanDerWaalsContact CB-OH 3.29Å; P330-Y455 WeakPolarHBondContact CB-OH 3.26Å; P330-Y455 PolarHBondContact O-OH 3.3Å; I365-Y455 HydrophobicContact CG1-CE1 4.4Å; W368-Y455 HydrophobicContact CB-CD2 3.73Å; W368-Y455 HydrophobicContact CB-CE2 3.85Å; W368-Y455 AromaticContact CD1-CE2 3.87Å; W368-Y455 HydrophobicContact CG-CD2 4.37Å; W368-Y455 HydrophobicContact CG-CE2 4.08Å; T451-Y455 PolarHBondContact O-N 2.85Å; F452-Y455 HydrophobicContact CD2-CD1 4.04Å; F452-Y455 HydrophobicContact CD2-CG 4.4Å; F452-Y455 AromaticContact CE2-CD1 3.56Å; F452-Y455 HydrophobicContact CE2-CD1 3.56Å; F452-Y455 AromaticContact CE2-CE1 3.99Å; F452-Y455 HydrophobicContact CE2-CE1 3.99Å; F452-Y455 HydrophobicContact CE2-CG 4.28Å; F452-Y455 HydrophobicContact CZ-CD1 4.01Å; F452-Y455 HydrophobicContact CZ-CE1 4.28Å; F452-Y455 WeakPolarHBondContact O-CA 3.46Å; F452-Y455 WeakPolarHBondContact O-CB 3.3Å; F452-Y455 PolarHBondContact O-N 2.95Å; R453-Y455 VanDerWaalsContact C-N 3.32Å; R453-Y455 PolarHBondContact O-N 3.37Å; Y455-V457 VanDerWaalsContact C-N 3.33Å; Y455-V457 PolarHBondContact O-N 3.22Å; Y455-N458 PolarHBondContact O-N 3.25Å; Y455-I459 HydrophobicContact CD2-CB 3.91Å; Y455-I459 HydrophobicContact CD2-CG1 4.12Å; Y455-I459 HydrophobicContact CD2-CG2 4.1Å; Y455-I459 HydrophobicContact CE2-CB 3.97Å; Y455-I459 HydrophobicContact CE2-CG2 3.66Å; Y455-I459 HydrophobicContact CG-CB 4.45Å; Y455-I459 WeakPolarHBondContact O-CA 3.19Å; Y455-I459 VanDerWaalsContact O-CB 3.28Å; Y455-I459 WeakPolarHBondContact O-CB 3.38Å; Y455-I459 PolarHBondContact O-N 2.94Å; Y455-Y460 HydrophobicContact CE1-CD1 4.29Å; Y455-Y460 PolarHBondContact O-N 3.4Å
456	L	96.9	Very high	96.2	Very high	4 Å²	4	65 Å²	65	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-60.5	-41.5	178	-66.9	175.9	0	0	0	112.2	W304 F415 F452 R453 Y460 P461 M463 M465	W304-L456 HydrophobicContact CH2-CD1 4.17Å; W304-L456 HydrophobicContact CH2-CD2 4.4Å; F415-L456 HydrophobicContact CD1-CD1 3.73Å; F415-L456 HydrophobicContact CD2-CD1 4.15Å; F415-L456 HydrophobicContact CE1-CD1 3.73Å; F415-L456 HydrophobicContact CE2-CD1 4.15Å; F415-L456 HydrophobicContact CG-CD1 3.95Å; F415-L456 HydrophobicContact CZ-CD1 3.94Å; F452-L456 HydrophobicContact CD1-CD1 3.83Å; F452-L456 HydrophobicContact CD1-CD2 4.49Å; F452-L456 HydrophobicContact CD1-CG 3.96Å; F452-L456 HydrophobicContact CE1-CD1 3.75Å; F452-L456 HydrophobicContact CE1-CD2 3.78Å; F452-L456 HydrophobicContact CE1-CG 3.74Å; F452-L456 HydrophobicContact CZ-CD2 4.02Å; F452-L456 HydrophobicContact CZ-CG 4.31Å; F452-L456 PolarHBondContact O-N 2.94Å; R453-L456 PolarHBondContact O-N 2.87Å; L456-Y460 CarbonylContact O-C 3.52Å; L456-Y460 VanDerWaalsContact O-O 3.12Å; L456-P461 WeakPolarHBondContact O-CA 3.46Å; L456-M463 HydrophobicContact CD2-CB 4.12Å; L456-M463 HydrophobicContact CD2-CG 4.38Å; L456-M463 HydrophobicContact CD2-SD 3.68Å; L456-M465 HydrophobicContact CD1-CG 4.06Å; L456-M465 HydrophobicContact CD1-SD 3.92Å
457	V	95.9	Very high	95.8	Very high	89 Å²	89	60.3 Å²	60.3	54%	0.539	30%	0.303	S	S	.	.	H	α-helix	trans	-74.6	-36.5	-177.3	172.2	0	0	0	0	113	R453 W454 Y455	R453-V457 WeakPolarHBondContact O-CG2 3.48Å; R453-V457 PolarHBondContact O-N 3.31Å; W454-V457 PolarHBondContact O-N 3.09Å; Y455-V457 VanDerWaalsContact C-N 3.33Å; Y455-V457 PolarHBondContact O-N 3.22Å
458	N	96	Very high	95.5	Very high	91 Å²	91	60.1 Å²	60.1	49%	0.487	30%	0.302	S	S	.	.	H	α-helix	trans	-102.1	-28.8	-170	-64.9	-92.6	0	0	0	113.4	W454 Y455	W454-N458 HydrophobicContact CD2-CB 4.45Å; W454-N458 HydrophobicContact CZ2-CB 4.19Å; W454-N458 PolarHBondContact NE1-ND2 3.17Å; W454-N458 WeakPolarHBondContact O-CB 3.27Å; W454-N458 PolarHBondContact O-N 2.89Å; W454-N458 PolarHBondContact O-ND2 2.9Å; Y455-N458 PolarHBondContact O-N 3.25Å
459	I	96.4	Very high	95.3	Very high	30 Å²	30	52.6 Å²	52.6	15%	0.154	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-43.2	-171.4	-54	-54.1	0	0	0	111.5	P330 W368 W454 Y455 P461	P330-I459 HydrophobicContact CB-CG2 4.34Å; W368-I459 HydrophobicContact CB-CG1 4.2Å; W368-I459 HydrophobicContact CB-CG2 4.47Å; W368-I459 HydrophobicContact CD2-CD1 3.74Å; W368-I459 HydrophobicContact CD2-CG1 3.93Å; W368-I459 HydrophobicContact CD2-CG2 3.77Å; W368-I459 HydrophobicContact CE3-CD1 3.34Å; W368-I459 HydrophobicContact CE3-CG1 3.96Å; W368-I459 HydrophobicContact CG-CB 4.5Å; W368-I459 HydrophobicContact CG-CD1 4.41Å; W368-I459 HydrophobicContact CG-CG1 4.08Å; W368-I459 HydrophobicContact CG-CG2 3.75Å; W368-I459 HydrophobicContact CH2-CD1 4.12Å; W368-I459 HydrophobicContact CZ2-CD1 4.47Å; W368-I459 HydrophobicContact CZ2-CG2 4.34Å; W368-I459 HydrophobicContact CZ3-CD1 3.55Å; W454-I459 HydrophobicContact CH2-CD1 4.05Å; W454-I459 HydrophobicContact CH2-CG1 4.04Å; W454-I459 HydrophobicContact CZ3-CD1 4.44Å; W454-I459 HydrophobicContact CZ3-CG1 3.92Å; Y455-I459 HydrophobicContact CD2-CB 3.91Å; Y455-I459 HydrophobicContact CD2-CG1 4.12Å; Y455-I459 HydrophobicContact CD2-CG2 4.1Å; Y455-I459 HydrophobicContact CE2-CB 3.97Å; Y455-I459 HydrophobicContact CE2-CG2 3.66Å; Y455-I459 HydrophobicContact CG-CB 4.45Å; Y455-I459 WeakPolarHBondContact O-CA 3.19Å; Y455-I459 VanDerWaalsContact O-CB 3.28Å; Y455-I459 WeakPolarHBondContact O-CB 3.38Å; Y455-I459 PolarHBondContact O-N 2.94Å; I459-P461 WeakPolarHBondContact O-CD 3.44Å
460	Y	95.9	Very high	95.2	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.279	C	S	.	.			trans	-127.3	59.1	-177.2	-158.5	-179.7	0	0	0	114	F302 L311 P330 Y455 L456 E462 M463	F302-Y460 HydrophobicContact CD1-CD1 4.36Å; F302-Y460 AromaticContact CD1-CE1 3.99Å; F302-Y460 HydrophobicContact CD1-CE1 3.99Å; F302-Y460 HydrophobicContact CE1-CD1 4.02Å; F302-Y460 HydrophobicContact CE1-CE1 4.1Å; F302-Y460 HydrophobicContact CG-CE1 4.42Å; F302-Y460 HydrophobicContact CZ-CD1 4.4Å; F302-Y460 PolarHBondContact N-OH 2.95Å; F302-Y460 WeakPolarHBondContact O-CE1 3.4Å; F302-Y460 PolarHBondContact O-OH 3.24Å; F302-Y460 VanDerWaalsContact O-OH 3.09Å; L311-Y460 HydrophobicContact CD1-CD2 4.18Å; L311-Y460 HydrophobicContact CD1-CE2 3.38Å; L311-Y460 HydrophobicContact CD2-CE2 4.35Å; L311-Y460 HydrophobicContact CG-CE2 4.49Å; P330-Y460 HydrophobicContact CB-CD1 3.78Å; P330-Y460 HydrophobicContact CB-CD2 4.27Å; P330-Y460 HydrophobicContact CB-CE1 4.33Å; P330-Y460 HydrophobicContact CB-CG 3.73Å; P330-Y460 HydrophobicContact CG-CD1 4.26Å; P330-Y460 HydrophobicContact CG-CD2 3.83Å; P330-Y460 HydrophobicContact CG-CE2 4.36Å; P330-Y460 HydrophobicContact CG-CG 3.78Å; Y455-Y460 HydrophobicContact CE1-CD1 4.29Å; Y455-Y460 PolarHBondContact O-N 3.4Å; L456-Y460 CarbonylContact O-C 3.52Å; L456-Y460 VanDerWaalsContact O-O 3.12Å; Y460-E462 HydrophobicContact CD2-CB 4.36Å; Y460-E462 HydrophobicContact CE2-CB 4.2Å; Y460-E462 PolarHBondContact O-N 2.9Å; Y460-M463 HydrophobicContact CD1-CB 3.88Å; Y460-M463 HydrophobicContact CD1-CG 4.29Å; Y460-M463 HydrophobicContact CD1-SD 3.91Å; Y460-M463 HydrophobicContact CD2-CB 3.97Å; Y460-M463 HydrophobicContact CE1-CB 3.99Å; Y460-M463 HydrophobicContact CE1-CG 4.13Å; Y460-M463 HydrophobicContact CE1-SD 3.96Å; Y460-M463 HydrophobicContact CE2-CB 4.06Å; Y460-M463 HydrophobicContact CG-CB 3.88Å; Y460-M463 WeakPolarHBondContact O-CB 3.45Å; Y460-M463 PolarHBondContact O-N 3.47Å
461	P	93.3	Very high	95	Very high	73 Å²	73	49.6 Å²	49.6	47%	0.474	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-18.9	-175.2	28.2	-35.7	0	0	0	114	L456 I459 M463	L456-P461 WeakPolarHBondContact O-CA 3.46Å; I459-P461 WeakPolarHBondContact O-CD 3.44Å; P461-M463 VanDerWaalsContact C-N 3.29Å
462	E	91.7	Very high	94.9	Very high	68 Å²	68	46.2 Å²	46.2	32%	0.318	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-17.6	176.9	-60.3	77	-168.4	0	0	112.7	Y460 R464 T524 V525	Y460-E462 HydrophobicContact CD2-CB 4.36Å; Y460-E462 HydrophobicContact CE2-CB 4.2Å; Y460-E462 PolarHBondContact O-N 2.9Å; E462-R464 PolarHBondContact O-N 3.34Å; E462-T524 CarbonylContact O-C 3.51Å; E462-T524 WeakPolarHBondContact O-CA 3.32Å; E462-T524 WeakPolarHBondContact O-CB 3.31Å; E462-V525 PolarHBondContact O-N 2.66Å
463	M	93.3	Very high	94.7	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.02	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-71.6	122.3	179.9	-163.5	-178.4	-165.4	0	0	110.7	F302 W304 L456 Y460 P461	F302-M463 HydrophobicContact CD2-CE 3.86Å; F302-M463 HydrophobicContact CE2-CE 3.6Å; F302-M463 HydrophobicContact CE2-SD 4.08Å; F302-M463 HydrophobicContact CZ-CE 4.39Å; F302-M463 HydrophobicContact CZ-SD 4.3Å; W304-M463 HydrophobicContact CD2-CE 3.34Å; W304-M463 HydrophobicContact CD2-SD 4.42Å; W304-M463 VanDerWaalsContact CE2-CE 3.49Å; W304-M463 HydrophobicContact CE3-CE 3.55Å; W304-M463 HydrophobicContact CG-CE 3.87Å; W304-M463 HydrophobicContact CH2-CE 4.08Å; W304-M463 HydrophobicContact CH2-SD 3.99Å; W304-M463 HydrophobicContact CZ2-CE 3.86Å; W304-M463 HydrophobicContact CZ2-CG 4Å; W304-M463 HydrophobicContact CZ2-SD 3.83Å; W304-M463 HydrophobicContact CZ3-CE 3.94Å; W304-M463 HydrophobicContact CZ3-SD 4.33Å; L456-M463 HydrophobicContact CD2-CB 4.12Å; L456-M463 HydrophobicContact CD2-CG 4.38Å; L456-M463 HydrophobicContact CD2-SD 3.68Å; Y460-M463 HydrophobicContact CD1-CB 3.88Å; Y460-M463 HydrophobicContact CD1-CG 4.29Å; Y460-M463 HydrophobicContact CD1-SD 3.91Å; Y460-M463 HydrophobicContact CD2-CB 3.97Å; Y460-M463 HydrophobicContact CE1-CB 3.99Å; Y460-M463 HydrophobicContact CE1-CG 4.13Å; Y460-M463 HydrophobicContact CE1-SD 3.96Å; Y460-M463 HydrophobicContact CE2-CB 4.06Å; Y460-M463 HydrophobicContact CG-CB 3.88Å; Y460-M463 WeakPolarHBondContact O-CB 3.45Å; Y460-M463 PolarHBondContact O-N 3.47Å; P461-M463 VanDerWaalsContact C-N 3.29Å
464	R	92.3	Very high	94.7	Very high	42 Å²	42	40.1 Å²	40.1	16%	0.158	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-76	131.2	-174.1	-174.1	176.9	-74.8	-148.4	-5.7	111.2	W304 E462 Y466 P523 T524 V525 D527 N530	W304-R464 WeakPolarHBondContact CZ2-O 3.35Å; W304-R464 PolarHBondContact NE1-O 3.07Å; E462-R464 PolarHBondContact O-N 3.34Å; R464-Y466 HydrophobicContact CB-CE2 4.43Å; R464-Y466 WeakPolarHBondContact CD-OH 3.38Å; R464-Y466 HydrophobicContact CG-CE1 4.37Å; R464-Y466 HydrophobicContact CG-CE2 4.21Å; R464-P523 PolarHBondContact N-O 3.46Å; R464-T524 PolarHBondContact NE-O 3.45Å; R464-V525 HydrophobicContact CB-CG2 4.18Å; R464-V525 PolarHBondContact NH2-O 3.14Å; R464-D527 PolarHBondContact NH2-O 2.93Å; R464-D527 VanDerWaalsContact NH2-O 3.11Å; R464-N530 PolarHBondContact NH1-ND2 2.94Å
465	M	92.6	Very high	94.6	Very high	92 Å²	92	36.2 Å²	36.2	45%	0.453	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-101.4	123.4	179.3	-63.9	176.5	-74.4	0	0	112.1	F415 L456 S467	F415-M465 HydrophobicContact CD1-CG 4.49Å; F415-M465 HydrophobicContact CE1-CG 4.04Å; F415-M465 HydrophobicContact CE1-SD 3.6Å; F415-M465 VanDerWaalsContact CE1-SD 3.6Å; F415-M465 HydrophobicContact CZ-SD 4.09Å; L456-M465 HydrophobicContact CD1-CG 4.06Å; L456-M465 HydrophobicContact CD1-SD 3.92Å; M465-S467 PolarHBondContact O-N 3.1Å
466	Y	91.9	Very high	94.5	Very high	15 Å²	15	41.5 Å²	41.5	6%	0.059	22%	0.22	C	C	.	.			trans	-96.9	66.6	174.3	-60.7	-77.5	0	0	0	112.8	H418 R464 L517 L521 S522 N530	H418-Y466 PolarHBondContact CD2-N 3.05Å; H418-Y466 PolarHBondContact NE2-N 2.77Å; H418-Y466 PolarHBondContact NE2-O 2.83Å; R464-Y466 HydrophobicContact CB-CE2 4.43Å; R464-Y466 WeakPolarHBondContact CD-OH 3.38Å; R464-Y466 HydrophobicContact CG-CE1 4.37Å; R464-Y466 HydrophobicContact CG-CE2 4.21Å; Y466-L517 HydrophobicContact CE1-CD2 4.22Å; Y466-L521 HydrophobicContact CD1-CD2 4.14Å; Y466-L521 HydrophobicContact CD2-CB 4.47Å; Y466-L521 HydrophobicContact CD2-CD1 3.82Å; Y466-L521 HydrophobicContact CE1-CD2 3.75Å; Y466-L521 HydrophobicContact CE2-CB 3.74Å; Y466-L521 HydrophobicContact CE2-CD1 3.94Å; Y466-L521 HydrophobicContact CE2-CD2 4.29Å; Y466-L521 HydrophobicContact CE2-CG 4.2Å; Y466-L521 HydrophobicContact CG-CD1 4.11Å; Y466-S522 WeakPolarHBondContact CE2-O 3.36Å; Y466-S522 PolarHBondContact OH-N 2.73Å; Y466-S522 VanDerWaalsContact OH-N 3.12Å; Y466-S522 PolarHBondContact OH-O 3.13Å; Y466-N530 WeakPolarHBondContact CE1-ND2 3.3Å; Y466-N530 PolarHBondContact OH-ND2 3.15Å; Y466-N530 PolarHBondContact OH-OD1 3.15Å
467	S	89.7	Confident	94.5	Very high	88 Å²	88	41.3 Å²	41.3	62%	0.615	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-9	-175.8	-55.6	0	0	0	0	114.1	M465	M465-S467 PolarHBondContact O-N 3.1Å
468	D	92.6	Very high	94.5	Very high	51 Å²	51	39.4 Å²	39.4	27%	0.273	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	5	-177.2	68.2	-34.1	0	0	0	113.4	T511 S512 N513	D468-T511 CarbonylContact O-C 3.57Å; D468-T511 VanDerWaalsContact O-CA 3.23Å; D468-T511 WeakPolarHBondContact O-CA 3.34Å; D468-T511 WeakPolarHBondContact OD2-CB 3.42Å; D468-S512 PolarHBondContact O-N 2.85Å; D468-N513 PolarHBondContact OD2-ND2 3.22Å
469	T	94.7	Very high	94.4	Very high	15 Å²	15	39.2 Å²	39.2	9%	0.092	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	130.6	178.2	-58	0	0	0	0	111.5	M421 A471 Y509 L604	M421-T469 HydrophobicContact SD-CG2 3.53Å; M421-T469 VanDerWaalsContact SD-CG2 3.53Å; T469-A471 WeakPolarHBondContact CG2-O 3.26Å; T469-Y509 HydrophobicContact CG2-CD1 4.48Å; T469-L604 HydrophobicContact CG2-CD1 4.19Å; T469-L604 WeakPolarHBondContact O-CD1 3.45Å
470	I	94.8	Very high	94.2	Very high	69 Å²	69	41 Å²	41	35%	0.354	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-38	179.3	-64.1	178.8	0	0	0	111.1	Y510 S512 L604	I470-Y510 HydrophobicContact CB-CD1 4.41Å; I470-Y510 PolarHBondContact N-O 3.38Å; I470-S512 VanDerWaalsContact CD1-CA 3.42Å; I470-L604 WeakPolarHBondContact O-CB 3.48Å; I470-L604 PolarHBondContact O-N 3.43Å
471	A	95.3	Very high	94	Very high	3 Å²	3	45.5 Å²	45.5	3%	0.025	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	149.8	-179.4	0	0	0	0	0	110.1	T469 Y509 Y510 I600 N602 V603	T469-A471 WeakPolarHBondContact CG2-O 3.26Å; A471-Y509 WeakPolarHBondContact O-CA 3.48Å; A471-Y510 PolarHBondContact N-O 2.89Å; A471-Y510 PolarHBondContact O-N 2.96Å; A471-I600 HydrophobicContact CB-CB 4.25Å; A471-I600 HydrophobicContact CB-CD1 4.01Å; A471-I600 HydrophobicContact CB-CG2 4.06Å; A471-N602 CarbonylContact C-O 3.51Å; A471-N602 VanDerWaalsContact CA-O 3.22Å; A471-N602 WeakPolarHBondContact CA-O 3.48Å; A471-N602 WeakPolarHBondContact CB-O 3.29Å; A471-V603 HydrophobicContact CB-CG2 4.38Å
472	Y	96.1	Very high	94	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.008	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	163.2	-178.2	69.4	-80.6	0	0	0	113.8	M421 V425 I427 V508 I600 N602 L604	M421-Y472 HydrophobicContact CB-CD2 4.21Å; M421-Y472 HydrophobicContact CB-CE2 4.46Å; M421-Y472 HydrophobicContact CB-CG 4.38Å; M421-Y472 HydrophobicContact CG-CD1 3.69Å; M421-Y472 HydrophobicContact CG-CD2 3.88Å; M421-Y472 HydrophobicContact CG-CE1 3.97Å; M421-Y472 HydrophobicContact CG-CE2 4.13Å; M421-Y472 HydrophobicContact CG-CG 3.64Å; M421-Y472 HydrophobicContact SD-CD1 4.35Å; M421-Y472 HydrophobicContact SD-CG 4.44Å; V425-Y472 PolarHBondContact O-OH 3Å; I427-Y472 PolarHBondContact N-OH 3.01Å; Y472-V508 CarbonylContact C-O 3.47Å; Y472-V508 WeakPolarHBondContact CA-O 3.36Å; Y472-I600 WeakPolarHBondContact O-CG2 3.37Å; Y472-N602 HydrophobicContact CD1-CB 3.85Å; Y472-N602 HydrophobicContact CD2-CB 4.09Å; Y472-N602 HydrophobicContact CE1-CB 3.49Å; Y472-N602 VanDerWaalsContact CE1-CB 3.49Å; Y472-N602 HydrophobicContact CE2-CB 3.78Å; Y472-N602 VanDerWaalsContact CE2-ND2 3.28Å; Y472-N602 WeakPolarHBondContact CE2-ND2 3.49Å; Y472-N602 HydrophobicContact CG-CB 4.13Å; Y472-N602 VanDerWaalsContact CZ-CB 3.47Å; Y472-N602 PolarHBondContact N-O 3.24Å; Y472-N602 WeakPolarHBondContact O-CA 3.4Å; Y472-N602 VanDerWaalsContact O-CB 3.26Å; Y472-N602 WeakPolarHBondContact O-CB 3.44Å; Y472-N602 PolarHBondContact O-N 3.32Å; Y472-N602 PolarHBondContact O-ND2 3.03Å; Y472-L604 HydrophobicContact CD1-CD1 4.15Å; Y472-L604 HydrophobicContact CD1-CD2 4.24Å; Y472-L604 HydrophobicContact CD1-CG 3.94Å; Y472-L604 HydrophobicContact CE1-CD1 4.31Å; Y472-L604 HydrophobicContact CE1-CD2 3.6Å; Y472-L604 HydrophobicContact CE1-CG 3.8Å
473	G	95.7	Very high	94.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	108.7	-155.8	174.4	0	0	0	0	0	112.5	N424 L475 V508	N424-G473 WeakPolarHBondContact OD1-CA 3.36Å; G473-L475 PolarHBondContact O-N 3.41Å; G473-V508 PolarHBondContact N-O 3.42Å; G473-V508 WeakPolarHBondContact O-CB 3.39Å; G473-V508 PolarHBondContact O-N 2.89Å
474	V	96.3	Very high	94.3	Very high	25 Å²	25	43 Å²	43	15%	0.152	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	136.4	-177.4	-61.9	0	0	0	0	111.7	C484 G502 Q506 I600 A601	V474-C484 HydrophobicContact CB-CB 4.45Å; V474-G502 VanDerWaalsContact CG1-CA 3.4Å; V474-Q506 HydrophobicContact CG1-CG 4.25Å; V474-I600 WeakPolarHBondContact O-CA 3.35Å; V474-A601 HydrophobicContact CG2-CB 3.85Å; V474-A601 PolarHBondContact O-N 3.24Å
475	L	97.3	Very high	94.5	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	114.5	174.4	179.4	74.3	0	0	0	110	G473 C484 L485 V508 I565 W598 F599 I600	G473-L475 PolarHBondContact O-N 3.41Å; L475-C484 WeakPolarHBondContact O-CA 3.11Å; L475-L485 HydrophobicContact CB-CB 4.06Å; L475-L485 HydrophobicContact CD2-CB 3.99Å; L475-L485 HydrophobicContact CD2-CD2 3.55Å; L475-L485 HydrophobicContact CD2-CG 4.37Å; L475-L485 HydrophobicContact CG-CB 4.38Å; L475-L485 PolarHBondContact O-N 3.02Å; L475-V508 HydrophobicContact CB-CB 4.08Å; L475-V508 HydrophobicContact CB-CG1 4.31Å; L475-V508 HydrophobicContact CB-CG2 3.8Å; L475-V508 HydrophobicContact CD2-CG1 4.46Å; L475-I565 HydrophobicContact CD1-CD1 4.06Å; L475-I565 HydrophobicContact CD2-CD1 3.82Å; L475-W598 HydrophobicContact CD1-CB 4.28Å; L475-W598 HydrophobicContact CD1-CE3 4.22Å; L475-W598 HydrophobicContact CD2-CE3 4.08Å; L475-W598 HydrophobicContact CD2-CZ3 4.32Å; L475-W598 HydrophobicContact CG-CE3 3.82Å; L475-W598 HydrophobicContact CG-CZ3 4.26Å; L475-F599 WeakPolarHBondContact CA-O 3.38Å; L475-I600 HydrophobicContact CD1-CD1 4.28Å; L475-I600 HydrophobicContact CD1-CG1 3.38Å
476	R	96.8	Very high	94.6	Very high	110 Å²	110	36.9 Å²	36.9	42%	0.415	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	155.7	-177.6	64	180	176.8	-173.3	-3.3	112.4	W598 F599	R476-W598 CarbonylContact O-C 3.59Å; R476-W598 WeakPolarHBondContact O-CA 3.32Å; R476-F599 HydrophobicContact CG-CB 3.95Å; R476-F599 PolarHBondContact N-O 2.92Å; R476-F599 PolarHBondContact O-N 3.08Å
477	N	96.5	Very high	94.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	140.9	175	-172.2	-69.1	0	0	0	110.9	L479 K480 N481 L576 Q596 K597 W598	N477-L479 PolarHBondContact O-N 3.18Å; N477-L479 WeakPolarHBondContact OD1-CB 3.37Å; N477-L479 WeakPolarHBondContact OD1-CG 3.41Å; N477-L479 PolarHBondContact OD1-N 3.14Å; N477-K480 CarbonylContact O-C 3.52Å; N477-K480 PolarHBondContact O-N 2.74Å; N477-K480 VanDerWaalsContact O-O 3.09Å; N477-N481 PolarHBondContact O-OD1 2.88Å; N477-L576 HydrophobicContact CB-CD1 3.47Å; N477-L576 VanDerWaalsContact CB-CD1 3.47Å; N477-L576 HydrophobicContact CB-CG 3.98Å; N477-Q596 PolarHBondContact ND2-OE1 3.34Å; N477-K597 WeakPolarHBondContact CA-O 3.49Å; N477-W598 HydrophobicContact CB-CD2 4.04Å; N477-W598 HydrophobicContact CB-CE3 3.78Å; N477-W598 HydrophobicContact CB-CH2 3.9Å; N477-W598 HydrophobicContact CB-CZ2 4.14Å; N477-W598 HydrophobicContact CB-CZ3 3.72Å; N477-W598 VanDerWaalsContact ND2-CZ2 3.27Å; N477-W598 WeakPolarHBondContact ND2-CZ2 3.3Å; N477-W598 PolarHBondContact ND2-NE1 3.38Å
478	S	95.3	Very high	94.7	Very high	49 Å²	49	33.7 Å²	33.7	34%	0.343	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-22.8	-179.4	56.8	0	0	0	0	115.4	K597	S478-K597 PolarHBondContact N-O 2.87Å; S478-K597 PolarHBondContact OG-O 3.11Å
479	L	94.4	Very high	94.4	Very high	88 Å²	88	34.9 Å²	34.9	46%	0.461	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-29.9	178.1	-64.1	179.3	0	0	0	112.5	N477 L576 Q596	N477-L479 PolarHBondContact O-N 3.18Å; N477-L479 WeakPolarHBondContact OD1-CB 3.37Å; N477-L479 WeakPolarHBondContact OD1-CG 3.41Å; N477-L479 PolarHBondContact OD1-N 3.14Å; L479-L576 HydrophobicContact CB-CD1 4.43Å; L479-L576 HydrophobicContact CD1-CB 4.36Å; L479-Q596 HydrophobicContact CD1-CG 3.81Å; L479-Q596 HydrophobicContact CG-CG 4.44Å
480	K	92.6	Very high	93.4	Very high	67 Å²	67	39.4 Å²	39.4	29%	0.291	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	90.7	-178.1	-75.5	-60.9	-168.1	165.8	0	109.6	N477 D482 L483 L576 Y586	N477-K480 CarbonylContact O-C 3.52Å; N477-K480 PolarHBondContact O-N 2.74Å; N477-K480 VanDerWaalsContact O-O 3.09Å; K480-D482 VanDerWaalsContact C-N 3.26Å; K480-D482 PolarHBondContact O-N 3.05Å; K480-L483 HydrophobicContact CB-CB 4.2Å; K480-L483 HydrophobicContact CB-CD1 4.06Å; K480-L483 HydrophobicContact CB-CG 4.25Å; K480-L483 HydrophobicContact CG-CD1 4.19Å; K480-L483 PolarHBondContact O-N 3.11Å; K480-L576 HydrophobicContact CB-CD1 4.29Å; K480-Y586 HydrophobicContact CD-CD2 4.37Å; K480-Y586 HydrophobicContact CD-CE2 4.05Å; K480-Y586 HydrophobicContact CG-CD2 3.79Å; K480-Y586 HydrophobicContact CG-CE2 3.72Å; K480-Y586 HydrophobicContact CG-CG 4.32Å
481	N	90.5	Very high	92.5	Very high	95 Å²	95	43.2 Å²	43.2	51%	0.508	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-13	-176.2	-67.4	-41	0	0	0	113.6	N477	N477-N481 PolarHBondContact O-OD1 2.88Å
482	D	93	Very high	91.7	Very high	86 Å²	86	48.1 Å²	48.1	46%	0.46	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-14.8	174.7	55	-42	0	0	0	113.1	K480 C500	K480-D482 VanDerWaalsContact C-N 3.26Å; K480-D482 PolarHBondContact O-N 3.05Å; D482-C500 VanDerWaalsContact C-SG 3.55Å; D482-C500 PolarHBondContact O-N 3.41Å; D482-C500 PolarHBondContact O-SG 2.99Å
483	L	94.9	Very high	91.4	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.021	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.3	179.1	-59.1	177.5	0	0	0	111.5	K480 Y498 L499 F584	K480-L483 HydrophobicContact CB-CB 4.2Å; K480-L483 HydrophobicContact CB-CD1 4.06Å; K480-L483 HydrophobicContact CB-CG 4.25Å; K480-L483 HydrophobicContact CG-CD1 4.19Å; K480-L483 PolarHBondContact O-N 3.11Å; L483-Y498 CarbonylContact C-O 3Å; L483-Y498 WeakPolarHBondContact CA-O 3.16Å; L483-L499 HydrophobicContact CD2-CD2 4.25Å; L483-F584 HydrophobicContact CD1-CB 3.84Å; L483-F584 HydrophobicContact CD2-CB 4.11Å; L483-F584 HydrophobicContact CD2-CD1 4Å; L483-F584 HydrophobicContact CD2-CG 4.01Å
484	C	96.4	Very high	91.3	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.007	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	150.5	-178.4	-76	0	0	0	0	110.8	V474 L475 D486 L497 Y498 C500 Q506	V474-C484 HydrophobicContact CB-CB 4.45Å; L475-C484 WeakPolarHBondContact O-CA 3.11Å; C484-D486 PolarHBondContact O-N 3.22Å; C484-L497 WeakPolarHBondContact O-CA 3.32Å; C484-Y498 PolarHBondContact N-O 3.17Å; C484-Y498 PolarHBondContact O-N 3.48Å; C484-Y498 VanDerWaalsContact O-N 3.07Å; C484-C500 HydrophobicContact CB-CB 4.01Å; C484-C500 WeakPolarHBondContact CB-SG 3.29Å; C484-C500 PolarHBondContact N-SG 3.47Å; C484-C500 VanDerWaalsContact N-SG 3.35Å; C484-C500 WeakPolarHBondContact SG-CB 3.23Å; C484-C500 CovalentContact SG-SG 2.04Å; C484-C500 PolarHBondContact SG-SG 2.68Å; C484-Q506 VanDerWaalsContact CB-CD 3.47Å; C484-Q506 HydrophobicContact CB-CG 3.89Å
485	L	96.4	Very high	91.2	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	129.7	169.8	-177.3	69.4	0	0	0	108.9	L475 P495 Q506 V508 V518 L588	L475-L485 HydrophobicContact CB-CB 4.06Å; L475-L485 HydrophobicContact CD2-CB 3.99Å; L475-L485 HydrophobicContact CD2-CD2 3.55Å; L475-L485 HydrophobicContact CD2-CG 4.37Å; L475-L485 HydrophobicContact CG-CB 4.38Å; L475-L485 PolarHBondContact O-N 3.02Å; L485-P495 HydrophobicContact CD1-CB 3.78Å; L485-P495 HydrophobicContact CD1-CG 4.5Å; L485-Q506 WeakPolarHBondContact O-CG 3.32Å; L485-V508 HydrophobicContact CB-CG2 4.46Å; L485-V508 HydrophobicContact CD2-CG2 4.02Å; L485-V508 HydrophobicContact CG-CG2 4.48Å; L485-V518 HydrophobicContact CD2-CG2 4.07Å; L485-L588 HydrophobicContact CD1-CD1 3.32Å; L485-L588 HydrophobicContact CD1-CD2 4.15Å; L485-L588 HydrophobicContact CD1-CG 4.39Å
486	D	95	Very high	91.1	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.037	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149.6	-179.9	-163.1	-72.3	0	0	0	110.1	C484 G488 P495 I496 H501 Q506	C484-D486 PolarHBondContact O-N 3.22Å; D486-G488 PolarHBondContact O-N 3.38Å; D486-G488 PolarHBondContact OD1-N 2.9Å; D486-P495 CarbonylContact O-C 3.39Å; D486-P495 WeakPolarHBondContact O-CA 3.45Å; D486-I496 HydrophobicContact CB-CG1 3.84Å; D486-I496 PolarHBondContact N-O 3Å; D486-I496 PolarHBondContact O-N 3.15Å; D486-H501 IonicContact OD2-NE2 2.93Å; D486-Q506 HydrophobicContact CB-CG 4.42Å; D486-Q506 WeakPolarHBondContact OD2-CB 3.32Å
487	Q	93.8	Very high	90.9	Very high	26 Å²	26	50.2 Å²	50.2	12%	0.121	28%	0.275	C	S	.	.			trans	-58.2	-36.3	173.4	179.7	164.4	-60.2	0	0	111.8	D490 P505 V518 L542	Q487-D490 PolarHBondContact NE2-OD1 2.61Å; Q487-P505 HydrophobicContact CB-CB 3.75Å; Q487-P505 HydrophobicContact CB-CG 4.15Å; Q487-P505 PolarHBondContact N-O 3.36Å; Q487-V518 HydrophobicContact CB-CG1 4.28Å; Q487-V518 PolarHBondContact OE1-O 2.7Å; Q487-L542 HydrophobicContact CB-CD1 4.14Å; Q487-L542 HydrophobicContact CG-CD1 3.76Å
488	G	89.9	Confident	90.8	Very high	10 Å²	10	55.2 Å²	55.2	10%	0.103	30%	0.295	C	S	.	.			trans	68.1	-168.5	-169.1	0	0	0	0	0	112.5	D486 D490	D486-G488 PolarHBondContact O-N 3.38Å; D486-G488 PolarHBondContact OD1-N 2.9Å; G488-D490 PolarHBondContact O-N 3.18Å
489	P	86.1	Confident	90.8	Very high	75 Å²	75	57 Å²	57	49%	0.487	30%	0.301	S	S	.	.			trans	-60.8	130.3	177.9	-21.7	33	0	0	0	112.2	N491 D492	P489-N491 PolarHBondContact O-N 2.97Å; P489-D492 PolarHBondContact O-N 3.41Å; P489-D492 VanDerWaalsContact O-N 3.16Å
490	D	73.8	Confident	90.8	Very high	110 Å²	110	55.2 Å²	55.2	59%	0.588	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-31.6	-174.8	-68.4	-5.5	0	0	0	114.2	Q487 G488 D492	Q487-D490 PolarHBondContact NE2-OD1 2.61Å; G488-D490 PolarHBondContact O-N 3.18Å; D490-D492 VanDerWaalsContact C-N 3.28Å; D490-D492 PolarHBondContact O-N 3.42Å
491	N	76.6	Confident	90.7	Very high	149 Å²	149	55.4 Å²	55.4	80%	0.797	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-28.1	-175.1	-63.8	-22.6	0	0	0	113.3	P489	P489-N491 PolarHBondContact O-N 2.97Å
492	D	79.3	Confident	90.7	Very high	106 Å²	106	51.9 Å²	51.9	57%	0.567	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-24.2	-170	-70.7	-17.9	0	0	0	112.3	P489 D490 V494	P489-D492 PolarHBondContact O-N 3.41Å; P489-D492 VanDerWaalsContact O-N 3.16Å; D490-D492 VanDerWaalsContact C-N 3.28Å; D490-D492 PolarHBondContact O-N 3.42Å; D492-V494 HydrophobicContact CB-CB 4.47Å; D492-V494 HydrophobicContact CB-CG2 4.41Å; D492-V494 VanDerWaalsContact O-CG2 3.27Å; D492-V494 WeakPolarHBondContact O-CG2 3.09Å; D492-V494 PolarHBondContact O-N 2.95Å; D492-V494 VanDerWaalsContact O-N 3.07Å
493	N	89.4	Confident	90.4	Very high	58 Å²	58	53.2 Å²	53.2	31%	0.31	29%	0.287	S	S	.	.			trans	51	29.2	-174.1	-68.6	-72.4	0	0	0	112.3	R541 L542	N493-R541 WeakPolarHBondContact O-CA 3.19Å; N493-R541 WeakPolarHBondContact O-CD 3.31Å; N493-L542 VanDerWaalsContact CB-O 3.32Å; N493-L542 WeakPolarHBondContact CB-O 3.37Å; N493-L542 PolarHBondContact O-N 3.29Å; N493-L542 PolarHBondContact OD1-O 2.8Å
494	V	92.9	Very high	90	Very high	45 Å²	45	55.7 Å²	55.7	27%	0.273	30%	0.303	S	S	.	.			trans	-119.8	119.6	177.9	-174.4	0	0	0	0	107.5	D492	D492-V494 HydrophobicContact CB-CB 4.47Å; D492-V494 HydrophobicContact CB-CG2 4.41Å; D492-V494 VanDerWaalsContact O-CG2 3.27Å; D492-V494 WeakPolarHBondContact O-CG2 3.09Å; D492-V494 PolarHBondContact O-N 2.95Å; D492-V494 VanDerWaalsContact O-N 3.07Å
495	P	94.9	Very high	89.7	Confident	5 Å²	5	57.5 Å²	57.5	3%	0.032	32%	0.315	C	S	.	.			trans	-67.5	145.9	176.2	30.5	-31.8	0	0	0	109.7	L485 D486 L533 P540 L542 L588	L485-P495 HydrophobicContact CD1-CB 3.78Å; L485-P495 HydrophobicContact CD1-CG 4.5Å; D486-P495 CarbonylContact O-C 3.39Å; D486-P495 WeakPolarHBondContact O-CA 3.45Å; P495-L533 HydrophobicContact CG-CD1 4.02Å; P495-P540 HydrophobicContact CG-CB 4.02Å; P495-P540 HydrophobicContact CG-CG 4.47Å; P495-L542 HydrophobicContact CB-CD1 4.06Å; P495-L542 HydrophobicContact CB-CD2 4.28Å; P495-L542 HydrophobicContact CB-CG 4.07Å; P495-L542 HydrophobicContact CG-CD2 4.47Å; P495-L542 HydrophobicContact CG-CG 4.3Å; P495-L588 HydrophobicContact CB-CD1 4.17Å; P495-L588 HydrophobicContact CG-CD1 4.23Å
496	I	93.6	Very high	89.6	Confident	62 Å²	62	57.5 Å²	57.5	32%	0.318	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	174.7	-180	70.7	174.3	0	0	0	111.1	D486	D486-I496 HydrophobicContact CB-CG1 3.84Å; D486-I496 PolarHBondContact N-O 3Å; D486-I496 PolarHBondContact O-N 3.15Å
497	L	93.8	Very high	89.5	Confident	11 Å²	11	57.2 Å²	57.2	6%	0.058	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.7	164.1	-70.1	162.5	0	0	0	108	C484 L576 L588	C484-L497 WeakPolarHBondContact O-CA 3.32Å; L497-L576 HydrophobicContact CD1-CD2 3.31Å; L497-L576 HydrophobicContact CD2-CD2 3.88Å; L497-L576 HydrophobicContact CG-CD2 4.17Å; L497-L588 HydrophobicContact CD1-CD2 4.39Å; L497-L588 HydrophobicContact CD1-CG 4.1Å; L497-L588 HydrophobicContact CD2-CD1 4.49Å; L497-L588 HydrophobicContact CD2-CD2 4.04Å; L497-L588 HydrophobicContact CD2-CG 4.23Å; L497-L588 HydrophobicContact CG-CD1 4.19Å; L497-L588 HydrophobicContact CG-CD2 4.21Å; L497-L588 HydrophobicContact CG-CG 3.87Å
498	Y	94.1	Very high	89.6	Confident	106 Å²	106	56 Å²	56	42%	0.416	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	165.7	178.4	-158.1	-107.3	0	0	0	110.6	L483 C484 C500 H501 F584	L483-Y498 CarbonylContact C-O 3Å; L483-Y498 WeakPolarHBondContact CA-O 3.16Å; C484-Y498 PolarHBondContact N-O 3.17Å; C484-Y498 PolarHBondContact O-N 3.48Å; C484-Y498 VanDerWaalsContact O-N 3.07Å; Y498-C500 PolarHBondContact O-N 3.29Å; Y498-H501 AromaticContact CD1-CD2 3.94Å; Y498-F584 AromaticContact CD2-CE2 3.84Å; Y498-F584 HydrophobicContact CD2-CE2 3.84Å; Y498-F584 AromaticContact CD2-CZ 3.99Å; Y498-F584 HydrophobicContact CD2-CZ 3.99Å; Y498-F584 HydrophobicContact CE2-CE2 4.17Å; Y498-F584 AromaticContact CE2-CZ 3.96Å; Y498-F584 HydrophobicContact CE2-CZ 3.96Å
499	L	94.8	Very high	89.9	Confident	87 Å²	87	55.7 Å²	55.7	46%	0.455	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	133.3	174.1	-69.8	172.7	0	0	0	109.9	L483 H501 Q506 F584	L483-L499 HydrophobicContact CD2-CD2 4.25Å; L499-H501 PolarHBondContact O-CD2 3.4Å; L499-H501 VanDerWaalsContact O-CD2 3.24Å; L499-H501 PolarHBondContact O-N 3.04Å; L499-H501 VanDerWaalsContact O-N 3.13Å; L499-Q506 PolarHBondContact O-NE2 3.32Å; L499-F584 HydrophobicContact CG-CE1 4.21Å
500	C	94.5	Very high	90.5	Very high	50 Å²	50	53 Å²	53	34%	0.338	28%	0.283	S	S	.	.			trans	-65.3	114.2	179.4	-62.1	0	0	0	0	110.7	D482 C484 Y498	D482-C500 VanDerWaalsContact C-SG 3.55Å; D482-C500 PolarHBondContact O-N 3.41Å; D482-C500 PolarHBondContact O-SG 2.99Å; C484-C500 HydrophobicContact CB-CB 4.01Å; C484-C500 WeakPolarHBondContact CB-SG 3.29Å; C484-C500 PolarHBondContact N-SG 3.47Å; C484-C500 VanDerWaalsContact N-SG 3.35Å; C484-C500 WeakPolarHBondContact SG-CB 3.23Å; C484-C500 CovalentContact SG-SG 2.04Å; C484-C500 PolarHBondContact SG-SG 2.68Å; Y498-C500 PolarHBondContact O-N 3.29Å
501	H	91.9	Very high	91.5	Very high	71 Å²	71	47.9 Å²	47.9	33%	0.329	26%	0.256	S	S	.	.			trans	-121.9	-15.4	175.2	58	80.5	0	0	0	113	D486 Y498 L499 M503	D486-H501 IonicContact OD2-NE2 2.93Å; Y498-H501 AromaticContact CD1-CD2 3.94Å; L499-H501 PolarHBondContact O-CD2 3.4Å; L499-H501 VanDerWaalsContact O-CD2 3.24Å; L499-H501 PolarHBondContact O-N 3.04Å; L499-H501 VanDerWaalsContact O-N 3.13Å; H501-M503 HydrophobicContact CB-CE 4.23Å; H501-M503 PolarHBondContact CE1-O 2.9Å; H501-M503 PolarHBondContact ND1-N 2.79Å; H501-M503 VanDerWaalsContact ND1-N 3.19Å; H501-M503 PolarHBondContact ND1-O 2.89Å; H501-M503 PolarHBondContact O-N 2.96Å
502	G	89	Confident	92.4	Very high	21 Å²	21	44 Å²	44	22%	0.216	24%	0.241	C	C	.	.			trans	66.9	21	172.8	0	0	0	0	0	115.6	N424 V474	N424-G502 PolarHBondContact ND2-O 2.9Å; V474-G502 VanDerWaalsContact CG1-CA 3.4Å
503	M	86.9	Confident	93.1	Very high	113 Å²	113	43.2 Å²	43.2	56%	0.557	24%	0.237	S	C	*	.	S	Bend	trans	-111.8	159	172.7	-56.4	-178	-71.2	0	0	108.9	H501 Q506	H501-M503 HydrophobicContact CB-CE 4.23Å; H501-M503 PolarHBondContact CE1-O 2.9Å; H501-M503 PolarHBondContact ND1-N 2.79Å; H501-M503 VanDerWaalsContact ND1-N 3.19Å; H501-M503 PolarHBondContact ND1-O 2.89Å; H501-M503 PolarHBondContact O-N 2.96Å; M503-Q506 WeakPolarHBondContact O-CB 3.18Å; M503-Q506 PolarHBondContact O-N 2.83Å
504	T	85.9	Confident	93.5	Very high	56 Å²	56	43.3 Å²	43.3	34%	0.344	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	133.6	168	-59.6	0	0	0	0	109.6	L520	T504-L520 HydrophobicContact CG2-CB 3.95Å; T504-L520 HydrophobicContact CG2-CD1 4.13Å
505	P	91.4	Very high	93.7	Very high	40 Å²	40	42.7 Å²	42.7	26%	0.26	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	cis	-101.2	26.7	14	41.7	-36.6	0	0	0	115.3	Q487 N507 G519	Q487-P505 HydrophobicContact CB-CB 3.75Å; Q487-P505 HydrophobicContact CB-CG 4.15Å; Q487-P505 PolarHBondContact N-O 3.36Å; P505-N507 VanDerWaalsContact C-N 3.3Å; P505-N507 PolarHBondContact O-N 2.92Å; P505-G519 WeakPolarHBondContact O-CA 3.36Å
506	Q	93.4	Very high	93.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-84.1	-1	179.9	-157.5	171.6	73.9	0	0	114.2	V474 C484 L485 D486 L499 M503	V474-Q506 HydrophobicContact CG1-CG 4.25Å; C484-Q506 VanDerWaalsContact CB-CD 3.47Å; C484-Q506 HydrophobicContact CB-CG 3.89Å; L485-Q506 WeakPolarHBondContact O-CG 3.32Å; D486-Q506 HydrophobicContact CB-CG 4.42Å; D486-Q506 WeakPolarHBondContact OD2-CB 3.32Å; L499-Q506 PolarHBondContact O-NE2 3.32Å; M503-Q506 WeakPolarHBondContact O-CB 3.18Å; M503-Q506 PolarHBondContact O-N 2.83Å
507	N	93.4	Very high	93.9	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.216	C	C	.	.			trans	-75.3	129.9	-179.1	-67.7	2.3	0	0	0	110.4	P505 Y509 G519	P505-N507 VanDerWaalsContact C-N 3.3Å; P505-N507 PolarHBondContact O-N 2.92Å; N507-Y509 HydrophobicContact CB-CE2 3.93Å; N507-Y509 WeakPolarHBondContact CB-OH 3.38Å; N507-Y509 PolarHBondContact ND2-OH 2.93Å; N507-G519 PolarHBondContact O-N 2.61Å
508	V	96.5	Very high	94	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.8	176.7	177.9	0	0	0	0	108.7	Y472 G473 L475 L485 F516 L517 V518	Y472-V508 CarbonylContact C-O 3.47Å; Y472-V508 WeakPolarHBondContact CA-O 3.36Å; G473-V508 PolarHBondContact N-O 3.42Å; G473-V508 WeakPolarHBondContact O-CB 3.39Å; G473-V508 PolarHBondContact O-N 2.89Å; L475-V508 HydrophobicContact CB-CB 4.08Å; L475-V508 HydrophobicContact CB-CG1 4.31Å; L475-V508 HydrophobicContact CB-CG2 3.8Å; L475-V508 HydrophobicContact CD2-CG1 4.46Å; L485-V508 HydrophobicContact CB-CG2 4.46Å; L485-V508 HydrophobicContact CD2-CG2 4.02Å; L485-V508 HydrophobicContact CG-CG2 4.48Å; V508-F516 HydrophobicContact CG1-CD1 3.57Å; V508-F516 HydrophobicContact CG1-CE1 4.2Å; V508-L517 CarbonylContact C-O 3.42Å; V508-L517 WeakPolarHBondContact CA-O 3.06Å; V508-V518 HydrophobicContact CG2-CG1 4.33Å; V508-V518 HydrophobicContact CG2-CG2 4.36Å
509	Y	96.3	Very high	93.8	Very high	3 Å²	3	34.7 Å²	34.7	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.8	178.1	-45.3	-94	0	0	0	109.6	M421 T469 A471 N507 F516 L517 G519 L521	M421-Y509 HydrophobicContact CB-CE1 4.06Å; M421-Y509 HydrophobicContact SD-CD1 4.31Å; T469-Y509 HydrophobicContact CG2-CD1 4.48Å; A471-Y509 WeakPolarHBondContact O-CA 3.48Å; N507-Y509 HydrophobicContact CB-CE2 3.93Å; N507-Y509 WeakPolarHBondContact CB-OH 3.38Å; N507-Y509 PolarHBondContact ND2-OH 2.93Å; Y509-F516 CarbonylContact O-C 3.55Å; Y509-F516 WeakPolarHBondContact O-CA 3.38Å; Y509-L517 HydrophobicContact CD2-CB 4.12Å; Y509-L517 PolarHBondContact N-O 3.19Å; Y509-L517 PolarHBondContact O-N 2.87Å; Y509-G519 WeakPolarHBondContact CE2-O 3.4Å; Y509-L521 HydrophobicContact CD1-CD1 4Å; Y509-L521 HydrophobicContact CD1-CD2 4.41Å; Y509-L521 HydrophobicContact CD1-CG 4.43Å; Y509-L521 HydrophobicContact CD2-CD1 4.47Å; Y509-L521 HydrophobicContact CD2-CD2 3.56Å; Y509-L521 HydrophobicContact CD2-CG 4.02Å; Y509-L521 HydrophobicContact CE1-CD1 3.61Å; Y509-L521 HydrophobicContact CE1-CD2 4.44Å; Y509-L521 HydrophobicContact CE1-CG 4Å; Y509-L521 HydrophobicContact CE2-CD1 4.1Å; Y509-L521 HydrophobicContact CE2-CD2 3.58Å; Y509-L521 HydrophobicContact CE2-CG 3.53Å; Y509-L521 HydrophobicContact CG-CD1 4.43Å; Y509-L521 HydrophobicContact CG-CD2 4Å; Y509-L521 HydrophobicContact CG-CG 4.44Å
510	Y	97.3	Very high	93.5	Very high	19 Å²	19	35.1 Å²	35.1	8%	0.075	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.6	175.1	-175.7	-114.1	0	0	0	110.5	I470 A471 Q515 F516 W557 F559	I470-Y510 HydrophobicContact CB-CD1 4.41Å; I470-Y510 PolarHBondContact N-O 3.38Å; A471-Y510 PolarHBondContact N-O 2.89Å; A471-Y510 PolarHBondContact O-N 2.96Å; Y510-Q515 WeakPolarHBondContact CA-O 3.16Å; Y510-Q515 WeakPolarHBondContact CD2-O 3.49Å; Y510-F516 HydrophobicContact CD2-CD1 4.09Å; Y510-F516 AromaticContact CD2-CD2 3.8Å; Y510-F516 HydrophobicContact CD2-CD2 3.8Å; Y510-F516 AromaticContact CD2-CE1 3.85Å; Y510-F516 HydrophobicContact CD2-CE1 3.85Å; Y510-F516 AromaticContact CD2-CE2 3.49Å; Y510-F516 HydrophobicContact CD2-CE2 3.49Å; Y510-F516 VanDerWaalsContact CD2-CE2 3.49Å; Y510-F516 HydrophobicContact CD2-CG 4.09Å; Y510-F516 AromaticContact CD2-CZ 3.53Å; Y510-F516 HydrophobicContact CD2-CZ 3.53Å; Y510-F516 HydrophobicContact CE2-CD2 4.08Å; Y510-F516 AromaticContact CE2-CE2 3.61Å; Y510-F516 HydrophobicContact CE2-CE2 3.61Å; Y510-F516 AromaticContact CE2-CZ 3.97Å; Y510-F516 HydrophobicContact CE2-CZ 3.97Å; Y510-F516 HydrophobicContact CG-CE1 4.31Å; Y510-F516 HydrophobicContact CG-CZ 4.23Å; Y510-W557 PolarHBondContact OH-O 3.16Å; Y510-F559 AromaticContact CD1-CD1 3.92Å; Y510-F559 HydrophobicContact CD1-CD1 3.92Å; Y510-F559 HydrophobicContact CD2-CD1 4.38Å; Y510-F559 HydrophobicContact CE1-CB 4.32Å; Y510-F559 HydrophobicContact CE1-CD1 4.07Å; Y510-F559 HydrophobicContact CE2-CB 3.97Å; Y510-F559 HydrophobicContact CG-CD1 4.07Å
511	T	95.9	Very high	93.2	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	162.9	-174.6	72	0	0	0	0	113.4	D468 N513 Q514 Q515 L517	D468-T511 CarbonylContact O-C 3.57Å; D468-T511 VanDerWaalsContact O-CA 3.23Å; D468-T511 WeakPolarHBondContact O-CA 3.34Å; D468-T511 WeakPolarHBondContact OD2-CB 3.42Å; T511-N513 PolarHBondContact O-N 2.82Å; T511-N513 PolarHBondContact OG1-N 3.47Å; T511-Q514 WeakPolarHBondContact O-CA 3.42Å; T511-Q514 PolarHBondContact O-N 3.38Å; T511-Q515 PolarHBondContact N-O 3.4Å; T511-Q515 PolarHBondContact OG1-N 2.91Å; T511-L517 HydrophobicContact CG2-CD1 3.72Å
512	S	94.9	Very high	93.1	Very high	69 Å²	69	30.3 Å²	30.3	48%	0.483	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.6	173.4	73.4	0	0	0	0	113.3	D468 I470 Q514	D468-S512 PolarHBondContact O-N 2.85Å; I470-S512 VanDerWaalsContact CD1-CA 3.42Å; S512-Q514 PolarHBondContact O-N 2.95Å
513	N	94.6	Very high	92.9	Very high	89 Å²	89	29.6 Å²	29.6	48%	0.476	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	7.2	171.4	-66.5	-51.1	0	0	0	113.1	D468 T511 Q515 H556	D468-N513 PolarHBondContact OD2-ND2 3.22Å; T511-N513 PolarHBondContact O-N 2.82Å; T511-N513 PolarHBondContact OG1-N 3.47Å; N513-Q515 VanDerWaalsContact C-N 3.31Å; N513-Q515 HydrophobicContact CB-CG 4.3Å; N513-Q515 PolarHBondContact O-N 3.46Å; N513-H556 PolarHBondContact O-CD2 3.23Å; N513-H556 VanDerWaalsContact O-CD2 3.27Å
514	Q	96.6	Very high	92.9	Very high	59 Å²	59	24.7 Å²	24.7	28%	0.276	14%	0.138	S	C	.	.	S	Bend	trans	62.3	36.3	179.5	-59.5	175.5	14.3	0	0	112.3	T511 S512 H556 W557	T511-Q514 WeakPolarHBondContact O-CA 3.42Å; T511-Q514 PolarHBondContact O-N 3.38Å; S512-Q514 PolarHBondContact O-N 2.95Å; Q514-H556 CarbonylContact O-C 3.18Å; Q514-H556 WeakPolarHBondContact O-CA 3.22Å; Q514-W557 WeakPolarHBondContact CB-O 3.46Å; Q514-W557 PolarHBondContact O-N 3.2Å
515	Q	97.1	Very high	92.8	Very high	33 Å²	33	25.8 Å²	25.8	15%	0.154	14%	0.144	C	C	.	.			trans	-110.9	148.4	179.4	-60	173.4	-0.8	0	0	109.8	Y510 T511 N513 L517 L555	Y510-Q515 WeakPolarHBondContact CA-O 3.16Å; Y510-Q515 WeakPolarHBondContact CD2-O 3.49Å; T511-Q515 PolarHBondContact N-O 3.4Å; T511-Q515 PolarHBondContact OG1-N 2.91Å; N513-Q515 VanDerWaalsContact C-N 3.31Å; N513-Q515 HydrophobicContact CB-CG 4.3Å; N513-Q515 PolarHBondContact O-N 3.46Å; Q515-L517 HydrophobicContact CB-CD1 4.41Å; Q515-L555 HydrophobicContact CG-CD1 3.9Å; Q515-L555 HydrophobicContact CG-CG 4.44Å
516	F	97.6	Very high	92.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	112.8	172.5	-80.1	-87.2	0	0	0	108.3	V508 Y509 Y510 C532 L533 W557 F559 I565 I600	V508-F516 HydrophobicContact CG1-CD1 3.57Å; V508-F516 HydrophobicContact CG1-CE1 4.2Å; Y509-F516 CarbonylContact O-C 3.55Å; Y509-F516 WeakPolarHBondContact O-CA 3.38Å; Y510-F516 HydrophobicContact CD2-CD1 4.09Å; Y510-F516 AromaticContact CD2-CD2 3.8Å; Y510-F516 HydrophobicContact CD2-CD2 3.8Å; Y510-F516 AromaticContact CD2-CE1 3.85Å; Y510-F516 HydrophobicContact CD2-CE1 3.85Å; Y510-F516 AromaticContact CD2-CE2 3.49Å; Y510-F516 HydrophobicContact CD2-CE2 3.49Å; Y510-F516 VanDerWaalsContact CD2-CE2 3.49Å; Y510-F516 HydrophobicContact CD2-CG 4.09Å; Y510-F516 AromaticContact CD2-CZ 3.53Å; Y510-F516 HydrophobicContact CD2-CZ 3.53Å; Y510-F516 HydrophobicContact CE2-CD2 4.08Å; Y510-F516 AromaticContact CE2-CE2 3.61Å; Y510-F516 HydrophobicContact CE2-CE2 3.61Å; Y510-F516 AromaticContact CE2-CZ 3.97Å; Y510-F516 HydrophobicContact CE2-CZ 3.97Å; Y510-F516 HydrophobicContact CG-CE1 4.31Å; Y510-F516 HydrophobicContact CG-CZ 4.23Å; F516-C532 CarbonylContact O-C 3.52Å; F516-C532 VanDerWaalsContact O-CA 3.25Å; F516-C532 WeakPolarHBondContact O-CA 3.32Å; F516-L533 HydrophobicContact CB-CB 3.92Å; F516-L533 PolarHBondContact O-N 2.97Å; F516-W557 HydrophobicContact CD2-CB 3.67Å; F516-W557 AromaticContact CD2-CD1 3.76Å; F516-W557 AromaticContact CD2-CG 3.78Å; F516-W557 HydrophobicContact CD2-CG 3.78Å; F516-W557 HydrophobicContact CE2-CB 3.62Å; F516-W557 HydrophobicContact CE2-CG 4.17Å; F516-F559 HydrophobicContact CE2-CB 4.03Å; F516-F559 HydrophobicContact CE2-CG 4.45Å; F516-F559 HydrophobicContact CZ-CB 3.78Å; F516-F559 AromaticContact CZ-CD1 3.92Å; F516-F559 HydrophobicContact CZ-CD1 3.92Å; F516-F559 HydrophobicContact CZ-CD2 4.25Å; F516-F559 AromaticContact CZ-CG 3.71Å; F516-F559 HydrophobicContact CZ-CG 3.71Å; F516-I565 HydrophobicContact CD2-CG2 4.45Å; F516-I565 HydrophobicContact CE1-CD1 4.3Å; F516-I565 HydrophobicContact CE2-CD1 4.49Å; F516-I565 HydrophobicContact CE2-CG1 4.41Å; F516-I565 HydrophobicContact CE2-CG2 3.79Å; F516-I565 HydrophobicContact CZ-CD1 3.89Å; F516-I565 HydrophobicContact CZ-CG1 4.03Å; F516-I565 HydrophobicContact CZ-CG2 4.23Å; F516-I600 HydrophobicContact CE1-CD1 3.81Å
517	L	95.9	Very high	91.3	Very high	12 Å²	12	31.9 Å²	31.9	6%	0.063	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	139.4	166.2	-70.3	69.5	0	0	0	107.6	Y466 V508 Y509 T511 Q515 L521 N530 K531	Y466-L517 HydrophobicContact CE1-CD2 4.22Å; V508-L517 CarbonylContact C-O 3.42Å; V508-L517 WeakPolarHBondContact CA-O 3.06Å; Y509-L517 HydrophobicContact CD2-CB 4.12Å; Y509-L517 PolarHBondContact N-O 3.19Å; Y509-L517 PolarHBondContact O-N 2.87Å; T511-L517 HydrophobicContact CG2-CD1 3.72Å; Q515-L517 HydrophobicContact CB-CD1 4.41Å; L517-L521 HydrophobicContact CD2-CD2 3.96Å; L517-N530 HydrophobicContact CD2-CB 4.27Å; L517-K531 WeakPolarHBondContact CA-O 3.27Å
518	V	95	Very high	90.1	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.1	-177.5	-175.6	0	0	0	0	108.4	L485 Q487 V508 K531 L542	L485-V518 HydrophobicContact CD2-CG2 4.07Å; Q487-V518 HydrophobicContact CB-CG1 4.28Å; Q487-V518 PolarHBondContact OE1-O 2.7Å; V508-V518 HydrophobicContact CG2-CG1 4.33Å; V508-V518 HydrophobicContact CG2-CG2 4.36Å; V518-K531 PolarHBondContact N-O 2.59Å; V518-L542 HydrophobicContact CB-CD1 4.32Å; V518-L542 HydrophobicContact CB-CD2 3.82Å; V518-L542 HydrophobicContact CG1-CD1 4.23Å; V518-L542 HydrophobicContact CG1-CD2 4.4Å; V518-L542 HydrophobicContact CG2-CD2 3.83Å
519	G	91.6	Very high	89.3	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.01	22%	0.215	C	C	.	.	S	Bend	trans	97.9	-143.3	178	0	0	0	0	0	114.5	P505 N507 Y509	P505-G519 WeakPolarHBondContact O-CA 3.36Å; N507-G519 PolarHBondContact O-N 2.61Å; Y509-G519 WeakPolarHBondContact CE2-O 3.4Å
520	L	86.8	Confident	89	Confident	96 Å²	96	39.6 Å²	39.6	50%	0.503	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-75.2	135.7	-178.6	-175.1	64.2	0	0	0	110.6	T504	T504-L520 HydrophobicContact CG2-CB 3.95Å; T504-L520 HydrophobicContact CG2-CD1 4.13Å
521	L	88.6	Confident	88.9	Confident	16 Å²	16	40.5 Å²	40.5	8%	0.084	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-77.6	122.8	168.2	-70.3	-178.9	0	0	0	109.4	Y466 Y509 L517	Y466-L521 HydrophobicContact CD1-CD2 4.14Å; Y466-L521 HydrophobicContact CD2-CB 4.47Å; Y466-L521 HydrophobicContact CD2-CD1 3.82Å; Y466-L521 HydrophobicContact CE1-CD2 3.75Å; Y466-L521 HydrophobicContact CE2-CB 3.74Å; Y466-L521 HydrophobicContact CE2-CD1 3.94Å; Y466-L521 HydrophobicContact CE2-CD2 4.29Å; Y466-L521 HydrophobicContact CE2-CG 4.2Å; Y466-L521 HydrophobicContact CG-CD1 4.11Å; Y509-L521 HydrophobicContact CD1-CD1 4Å; Y509-L521 HydrophobicContact CD1-CD2 4.41Å; Y509-L521 HydrophobicContact CD1-CG 4.43Å; Y509-L521 HydrophobicContact CD2-CD1 4.47Å; Y509-L521 HydrophobicContact CD2-CD2 3.56Å; Y509-L521 HydrophobicContact CD2-CG 4.02Å; Y509-L521 HydrophobicContact CE1-CD1 3.61Å; Y509-L521 HydrophobicContact CE1-CD2 4.44Å; Y509-L521 HydrophobicContact CE1-CG 4Å; Y509-L521 HydrophobicContact CE2-CD1 4.1Å; Y509-L521 HydrophobicContact CE2-CD2 3.58Å; Y509-L521 HydrophobicContact CE2-CG 3.53Å; Y509-L521 HydrophobicContact CG-CD1 4.43Å; Y509-L521 HydrophobicContact CG-CD2 4Å; Y509-L521 HydrophobicContact CG-CG 4.44Å; L517-L521 HydrophobicContact CD2-CD2 3.96Å
522	S	89.4	Confident	88.9	Confident	4 Å²	4	40.4 Å²	40.4	3%	0.028	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-55.1	129	172.2	174.1	0	0	0	0	110.2	Y466 T524 D527 N530	Y466-S522 WeakPolarHBondContact CE2-O 3.36Å; Y466-S522 PolarHBondContact OH-N 2.73Å; Y466-S522 VanDerWaalsContact OH-N 3.12Å; Y466-S522 PolarHBondContact OH-O 3.13Å; S522-T524 PolarHBondContact OG-O 3.12Å; S522-T524 VanDerWaalsContact OG-O 3.12Å; S522-D527 WeakPolarHBondContact CB-O 3.26Å; S522-D527 WeakPolarHBondContact OG-CB 3.4Å; S522-D527 PolarHBondContact OG-O 2.81Å; S522-N530 WeakPolarHBondContact CB-OD1 3.34Å; S522-N530 PolarHBondContact N-OD1 2.98Å
523	P	86.1	Confident	89	Confident	7 Å²	7	37.2 Å²	37.2	5%	0.045	20%	0.197	C	C	.	.	S	Bend	trans	-81.3	-28.6	-174.6	26.4	-26.5	0	0	0	112.8	D303 R464	D303-P523 HydrophobicContact CB-CB 3.56Å; D303-P523 HydrophobicContact CB-CG 4.32Å; R464-P523 PolarHBondContact N-O 3.46Å
524	T	86.1	Confident	89.2	Confident	9 Å²	9	33 Å²	33	6%	0.055	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-116.2	161.2	-178	77.1	0	0	0	0	112.7	L311 E462 R464 S522 D526 D527	L311-T524 HydrophobicContact CD2-CG2 4.43Å; E462-T524 CarbonylContact O-C 3.51Å; E462-T524 WeakPolarHBondContact O-CA 3.32Å; E462-T524 WeakPolarHBondContact O-CB 3.31Å; R464-T524 PolarHBondContact NE-O 3.45Å; S522-T524 PolarHBondContact OG-O 3.12Å; S522-T524 VanDerWaalsContact OG-O 3.12Å; T524-D526 VanDerWaalsContact C-N 3.3Å; T524-D527 WeakPolarHBondContact OG1-CB 3.41Å; T524-D527 PolarHBondContact OG1-N 3.39Å; T524-D527 PolarHBondContact OG1-OD2 3.05Å
525	V	84.1	Confident	89.2	Confident	79 Å²	79	30.4 Å²	30.4	48%	0.479	16%	0.163	S	C	.	.	S	Bend	trans	-71.2	-31.3	177.3	-173	0	0	0	0	111	E462 R464	E462-V525 PolarHBondContact O-N 2.66Å; R464-V525 HydrophobicContact CB-CG2 4.18Å; R464-V525 PolarHBondContact NH2-O 3.14Å
526	D	77.2	Confident	89.2	Confident	124 Å²	124	30.7 Å²	30.7	66%	0.663	17%	0.167	S	C	*	.	S	Bend	trans	-77.7	-25.1	-179	-66.1	-26.4	0	0	0	112.9	T524 D528	T524-D526 VanDerWaalsContact C-N 3.3Å; D526-D528 PolarHBondContact O-N 3.12Å
527	D	76.3	Confident	89	Confident	45 Å²	45	37.9 Å²	37.9	24%	0.241	21%	0.205	C	C	.	.			trans	-77.8	105	171.9	-63.7	-26.3	0	0	0	109.1	R309 R464 S522 T524 D529	R309-D527 IonicContact NH2-OD2 3.24Å; R309-D527 PolarHBondContact NH2-OD2 2.74Å; R464-D527 PolarHBondContact NH2-O 2.93Å; R464-D527 VanDerWaalsContact NH2-O 3.11Å; S522-D527 WeakPolarHBondContact CB-O 3.26Å; S522-D527 WeakPolarHBondContact OG-CB 3.4Å; S522-D527 PolarHBondContact OG-O 2.81Å; T524-D527 WeakPolarHBondContact OG1-CB 3.41Å; T524-D527 PolarHBondContact OG1-N 3.39Å; T524-D527 PolarHBondContact OG1-OD2 3.05Å; D527-D529 VanDerWaalsContact C-N 3.27Å; D527-D529 PolarHBondContact O-N 2.88Å
528	D	68.4	Low	88.9	Confident	62 Å²	62	38.1 Å²	38.1	33%	0.332	21%	0.211	S	C	.	.			trans	-92.6	40.2	-177.8	-156.3	12.5	0	0	0	113.8	D526 E544 S546	D526-D528 PolarHBondContact O-N 3.12Å; D528-E544 WeakPolarHBondContact O-CG 3.16Å; D528-S546 PolarHBondContact OD1-OG 3.45Å; D528-S546 VanDerWaalsContact OD1-OG 3.09Å; D528-S546 VanDerWaalsContact OD2-CB 3.22Å; D528-S546 WeakPolarHBondContact OD2-CB 3.46Å; D528-S546 PolarHBondContact OD2-OG 3.37Å
529	D	79.3	Confident	88.9	Confident	97 Å²	97	45.6 Å²	45.6	52%	0.519	24%	0.239	S	C	.	.			trans	-89.5	-3.8	-169.5	-61.2	-35.3	0	0	0	114	D527 K531	D527-D529 VanDerWaalsContact C-N 3.27Å; D527-D529 PolarHBondContact O-N 2.88Å; D529-K531 PolarHBondContact O-N 3.15Å
530	N	91	Very high	89.1	Confident	7 Å²	7	46 Å²	46	4%	0.037	24%	0.241	C	C	.	.			trans	-62.8	113.5	-178.2	-78.2	-12.2	0	0	0	111.1	R464 Y466 L517 S522 E544 C545	R464-N530 PolarHBondContact NH1-ND2 2.94Å; Y466-N530 WeakPolarHBondContact CE1-ND2 3.3Å; Y466-N530 PolarHBondContact OH-ND2 3.15Å; Y466-N530 PolarHBondContact OH-OD1 3.15Å; L517-N530 HydrophobicContact CD2-CB 4.27Å; S522-N530 WeakPolarHBondContact CB-OD1 3.34Å; S522-N530 PolarHBondContact N-OD1 2.98Å; N530-E544 WeakPolarHBondContact O-CA 3.36Å; N530-C545 PolarHBondContact O-N 3.06Å; N530-C545 PolarHBondContact O-SG 3.37Å
531	K	93.7	Very high	89.6	Confident	38 Å²	38	44.5 Å²	44.5	17%	0.165	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	126.2	177.3	-56.6	-58.4	179.7	-179.8	0	111.1	L517 V518 D529 L542 E544	L517-K531 WeakPolarHBondContact CA-O 3.27Å; V518-K531 PolarHBondContact N-O 2.59Å; D529-K531 PolarHBondContact O-N 3.15Å; K531-L542 HydrophobicContact CB-CB 4.11Å; K531-E544 HydrophobicContact CD-CG 4.11Å; K531-E544 IonicContact NZ-OE1 2.61Å; K531-E544 PolarHBondContact NZ-OE1 2.78Å
532	C	95.8	Very high	89.9	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	145.1	175.1	-84.2	0	0	0	0	111.1	F516 V534 L542 I543 C545 L555	F516-C532 CarbonylContact O-C 3.52Å; F516-C532 VanDerWaalsContact O-CA 3.25Å; F516-C532 WeakPolarHBondContact O-CA 3.32Å; C532-V534 HydrophobicContact CB-CG2 4.48Å; C532-V534 WeakPolarHBondContact O-CG2 3.38Å; C532-V534 PolarHBondContact O-N 2.83Å; C532-L542 WeakPolarHBondContact O-CA 3.28Å; C532-I543 PolarHBondContact N-O 3.48Å; C532-I543 PolarHBondContact O-N 2.86Å; C532-C545 HydrophobicContact CB-CB 4.01Å; C532-C545 WeakPolarHBondContact CB-SG 3.29Å; C532-C545 PolarHBondContact N-SG 2.9Å; C532-C545 VanDerWaalsContact N-SG 3.39Å; C532-C545 WeakPolarHBondContact SG-CB 3.35Å; C532-C545 CovalentContact SG-SG 2.03Å; C532-C545 PolarHBondContact SG-SG 3.43Å; C532-L555 HydrophobicContact CB-CD1 4.48Å
533	L	97.8	Very high	90.2	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	125.5	169.1	-176.3	67.2	0	0	0	110.7	P495 F516 P540 R541 L542 W557 L574	P495-L533 HydrophobicContact CG-CD1 4.02Å; F516-L533 HydrophobicContact CB-CB 3.92Å; F516-L533 PolarHBondContact O-N 2.97Å; L533-P540 HydrophobicContact CD1-CB 4.01Å; L533-R541 CarbonylContact C-O 3.59Å; L533-R541 WeakPolarHBondContact CA-O 3.1Å; L533-L542 HydrophobicContact CB-CD2 4.46Å; L533-L542 HydrophobicContact CD1-CD2 4.32Å; L533-W557 HydrophobicContact CD2-CD2 4.48Å; L533-W557 HydrophobicContact CD2-CH2 4.46Å; L533-W557 HydrophobicContact CD2-CZ2 3.99Å; L533-W557 HydrophobicContact CG-CZ2 3.8Å; L533-W557 PolarHBondContact O-NE1 3.12Å; L533-L574 HydrophobicContact CD2-CD2 4.05Å
534	V	97.8	Very high	90.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	137.6	-175.8	-170.7	0	0	0	0	111.3	C532 V536 R541 I543 A548 M553 L555	C532-V534 HydrophobicContact CB-CG2 4.48Å; C532-V534 WeakPolarHBondContact O-CG2 3.38Å; C532-V534 PolarHBondContact O-N 2.83Å; V534-V536 HydrophobicContact CB-CG2 4.28Å; V534-V536 HydrophobicContact CG1-CG2 3.99Å; V534-V536 PolarHBondContact O-N 3.24Å; V534-R541 PolarHBondContact N-O 3.13Å; V534-R541 PolarHBondContact O-N 3.02Å; V534-I543 HydrophobicContact CB-CG1 4.35Å; V534-I543 HydrophobicContact CG2-CB 3.95Å; V534-I543 HydrophobicContact CG2-CG1 4.2Å; V534-A548 HydrophobicContact CG2-CB 3.94Å; V534-M553 HydrophobicContact CG1-CB 3.72Å; V534-M553 HydrophobicContact CG1-CE 4Å; V534-L555 HydrophobicContact CG2-CB 3.94Å
535	D	97.3	Very high	90.8	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.027	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	106.2	164.5	175.2	-16.3	0	0	0	109.8	G538 K554 W557 S570 R572 L590	D535-G538 WeakPolarHBondContact OD1-CA 3.46Å; D535-G538 PolarHBondContact OD1-N 3.06Å; D535-K554 HydrophobicContact CB-CB 3.83Å; D535-K554 HydrophobicContact CB-CD 4.01Å; D535-K554 PolarHBondContact N-O 3.22Å; D535-K554 VanDerWaalsContact N-O 3.14Å; D535-W557 HydrophobicContact CB-CH2 4.22Å; D535-W557 HydrophobicContact CB-CZ2 4.45Å; D535-S570 WeakPolarHBondContact OD2-CB 3.3Å; D535-S570 PolarHBondContact OD2-OG 3.47Å; D535-R572 IonicContact OD1-NH1 2.74Å; D535-R572 IonicContact OD2-NH1 3.65Å; D535-L590 HydrophobicContact CB-CD1 3.47Å; D535-L590 VanDerWaalsContact CB-CD1 3.47Å
536	V	96.4	Very high	91.2	Very high	40 Å²	40	47.4 Å²	47.4	24%	0.242	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	104.1	173.1	-175.5	0	0	0	0	108.5	V534 G538 R539 R541 M553	V534-V536 HydrophobicContact CB-CG2 4.28Å; V534-V536 HydrophobicContact CG1-CG2 3.99Å; V534-V536 PolarHBondContact O-N 3.24Å; V536-G538 PolarHBondContact O-N 3.35Å; V536-R539 PolarHBondContact N-O 3.11Å; V536-R539 PolarHBondContact O-N 3.03Å; V536-R541 HydrophobicContact CB-CB 4.34Å; V536-R541 HydrophobicContact CB-CG 3.83Å; V536-R541 HydrophobicContact CG2-CB 3.79Å; V536-R541 HydrophobicContact CG2-CG 3.82Å; V536-M553 HydrophobicContact CG2-CE 3.64Å
537	N	93.4	Very high	92	Very high	150 Å²	150	47.1 Å²	47.1	80%	0.802	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	37.5	178.7	-60.3	-31.2	0	0	0	114.1
538	G	94.4	Very high	92.9	Very high	17 Å²	17	45 Å²	45	18%	0.175	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	16.4	-178.6	0	0	0	0	0	114.1	D535 V536	D535-G538 WeakPolarHBondContact OD1-CA 3.46Å; D535-G538 PolarHBondContact OD1-N 3.06Å; V536-G538 PolarHBondContact O-N 3.35Å
539	R	95.3	Very high	94.1	Very high	160 Å²	160	44.5 Å²	44.5	60%	0.604	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.9	173.6	-60	-177.1	178.1	-175.3	-2.9	110.1	V536	V536-R539 PolarHBondContact N-O 3.11Å; V536-R539 PolarHBondContact O-N 3.03Å
540	P	96.8	Very high	94.8	Very high	9 Å²	9	43.7 Å²	43.7	6%	0.058	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	132.6	173.2	30.7	-30.5	0	0	0	109	P495 L533 L574 L588 L590	P495-P540 HydrophobicContact CG-CB 4.02Å; P495-P540 HydrophobicContact CG-CG 4.47Å; L533-P540 HydrophobicContact CD1-CB 4.01Å; P540-L574 HydrophobicContact CB-CD1 4.1Å; P540-L574 HydrophobicContact CG-CD1 4.47Å; P540-L588 HydrophobicContact CG-CB 4.14Å; P540-L590 HydrophobicContact CB-CD1 4.48Å; P540-L590 HydrophobicContact CB-CD2 4.44Å; P540-L590 HydrophobicContact CB-CG 4.26Å
541	R	96.3	Very high	95.1	Very high	65 Å²	65	49.5 Å²	49.5	25%	0.245	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	153.4	176.5	-68.5	-64.7	-178	-101.4	15.6	110.2	N493 L533 V534 V536 I543	N493-R541 WeakPolarHBondContact O-CA 3.19Å; N493-R541 WeakPolarHBondContact O-CD 3.31Å; L533-R541 CarbonylContact C-O 3.59Å; L533-R541 WeakPolarHBondContact CA-O 3.1Å; V534-R541 PolarHBondContact N-O 3.13Å; V534-R541 PolarHBondContact O-N 3.02Å; V536-R541 HydrophobicContact CB-CB 4.34Å; V536-R541 HydrophobicContact CB-CG 3.83Å; V536-R541 HydrophobicContact CG2-CB 3.79Å; V536-R541 HydrophobicContact CG2-CG 3.82Å; R541-I543 HydrophobicContact CB-CD1 4.36Å; R541-I543 HydrophobicContact CB-CG1 4.16Å
542	L	95.7	Very high	95.1	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	115.9	171.1	-65.6	-176.3	0	0	0	108	Q487 N493 P495 V518 K531 C532 L533	Q487-L542 HydrophobicContact CB-CD1 4.14Å; Q487-L542 HydrophobicContact CG-CD1 3.76Å; N493-L542 VanDerWaalsContact CB-O 3.32Å; N493-L542 WeakPolarHBondContact CB-O 3.37Å; N493-L542 PolarHBondContact O-N 3.29Å; N493-L542 PolarHBondContact OD1-O 2.8Å; P495-L542 HydrophobicContact CB-CD1 4.06Å; P495-L542 HydrophobicContact CB-CD2 4.28Å; P495-L542 HydrophobicContact CB-CG 4.07Å; P495-L542 HydrophobicContact CG-CD2 4.47Å; P495-L542 HydrophobicContact CG-CG 4.3Å; V518-L542 HydrophobicContact CB-CD1 4.32Å; V518-L542 HydrophobicContact CB-CD2 3.82Å; V518-L542 HydrophobicContact CG1-CD1 4.23Å; V518-L542 HydrophobicContact CG1-CD2 4.4Å; V518-L542 HydrophobicContact CG2-CD2 3.83Å; K531-L542 HydrophobicContact CB-CB 4.11Å; C532-L542 WeakPolarHBondContact O-CA 3.28Å; L533-L542 HydrophobicContact CB-CD2 4.46Å; L533-L542 HydrophobicContact CD1-CD2 4.32Å
543	I	94.6	Very high	95.2	Very high	39 Å²	39	59.6 Å²	59.6	20%	0.2	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	144.6	-176.9	-56.1	-68.2	0	0	0	107.7	C532 V534 R541 C545 Y547 A548 M553	C532-I543 PolarHBondContact N-O 3.48Å; C532-I543 PolarHBondContact O-N 2.86Å; V534-I543 HydrophobicContact CB-CG1 4.35Å; V534-I543 HydrophobicContact CG2-CB 3.95Å; V534-I543 HydrophobicContact CG2-CG1 4.2Å; R541-I543 HydrophobicContact CB-CD1 4.36Å; R541-I543 HydrophobicContact CB-CG1 4.16Å; I543-C545 PolarHBondContact O-N 3.37Å; I543-Y547 HydrophobicContact CG2-CD1 3.71Å; I543-Y547 HydrophobicContact CG2-CE1 4.43Å; I543-A548 HydrophobicContact CB-CB 4.43Å; I543-A548 HydrophobicContact CG2-CB 4.13Å; I543-M553 HydrophobicContact CG2-SD 4.34Å
544	E	93.6	Very high	95.2	Very high	69 Å²	69	62.6 Å²	62.6	32%	0.322	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-48	126.4	174.5	-73.2	160.2	-154.7	0	0	111.2	D528 N530 K531 S546 Y547 A548	D528-E544 WeakPolarHBondContact O-CG 3.16Å; N530-E544 WeakPolarHBondContact O-CA 3.36Å; K531-E544 HydrophobicContact CD-CG 4.11Å; K531-E544 IonicContact NZ-OE1 2.61Å; K531-E544 PolarHBondContact NZ-OE1 2.78Å; E544-S546 VanDerWaalsContact C-N 3.31Å; E544-S546 PolarHBondContact O-N 3.01Å; E544-Y547 PolarHBondContact O-N 3.23Å; E544-A548 WeakPolarHBondContact O-CB 3.45Å; E544-A548 PolarHBondContact O-N 3.46Å
545	C	92.6	Very high	95.2	Very high	18 Å²	18	62.7 Å²	62.7	12%	0.122	31%	0.312	C	S	.	.	H	α-helix	trans	-59.8	-42.8	-171.5	-65.1	0	0	0	0	111.8	N530 C532 I543 A549	N530-C545 PolarHBondContact O-N 3.06Å; N530-C545 PolarHBondContact O-SG 3.37Å; C532-C545 HydrophobicContact CB-CB 4.01Å; C532-C545 WeakPolarHBondContact CB-SG 3.29Å; C532-C545 PolarHBondContact N-SG 2.9Å; C532-C545 VanDerWaalsContact N-SG 3.39Å; C532-C545 WeakPolarHBondContact SG-CB 3.35Å; C532-C545 CovalentContact SG-SG 2.03Å; C532-C545 PolarHBondContact SG-SG 3.43Å; I543-C545 PolarHBondContact O-N 3.37Å; C545-A549 VanDerWaalsContact O-CB 3.27Å; C545-A549 WeakPolarHBondContact O-CB 3.03Å; C545-A549 PolarHBondContact O-N 3.02Å
546	S	92.1	Very high	95.2	Very high	48 Å²	48	65.1 Å²	65.1	34%	0.336	32%	0.323	S	S	.	.	H	α-helix	trans	-60.1	-48.3	176.8	60.5	0	0	0	0	111.7	D528 E544 A549 A550	D528-S546 PolarHBondContact OD1-OG 3.45Å; D528-S546 VanDerWaalsContact OD1-OG 3.09Å; D528-S546 VanDerWaalsContact OD2-CB 3.22Å; D528-S546 WeakPolarHBondContact OD2-CB 3.46Å; D528-S546 PolarHBondContact OD2-OG 3.37Å; E544-S546 VanDerWaalsContact C-N 3.31Å; E544-S546 PolarHBondContact O-N 3.01Å; S546-A549 PolarHBondContact O-N 3.01Å; S546-A550 WeakPolarHBondContact O-CB 3.35Å; S546-A550 PolarHBondContact O-N 3.14Å
547	Y	93.2	Very high	95.3	Very high	117 Å²	117	63.2 Å²	63.2	46%	0.459	31%	0.311	S	S	.	.	H	α-helix	trans	-65.2	-46.5	179.7	179.6	-96.1	0	0	0	110.9	I543 E544 A549 A550 K551 M553	I543-Y547 HydrophobicContact CG2-CD1 3.71Å; I543-Y547 HydrophobicContact CG2-CE1 4.43Å; E544-Y547 PolarHBondContact O-N 3.23Å; Y547-A549 VanDerWaalsContact C-N 3.3Å; Y547-A549 PolarHBondContact O-N 3.49Å; Y547-A550 PolarHBondContact O-N 3.25Å; Y547-K551 HydrophobicContact CD1-CG 4.3Å; Y547-K551 HydrophobicContact CD2-CG 4.31Å; Y547-K551 HydrophobicContact CE1-CG 3.89Å; Y547-K551 HydrophobicContact CE2-CD 4.39Å; Y547-K551 HydrophobicContact CE2-CG 3.88Å; Y547-K551 HydrophobicContact CG-CG 4.5Å; Y547-K551 WeakPolarHBondContact O-CB 3.46Å; Y547-K551 WeakPolarHBondContact O-CG 3.34Å; Y547-K551 PolarHBondContact O-N 3.49Å; Y547-M553 HydrophobicContact CD1-SD 4.41Å; Y547-M553 HydrophobicContact CE1-SD 4.32Å
548	A	94.8	Very high	95.5	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-41	177.3	0	0	0	0	0	111.7	V534 I543 E544 R552 M553 L555	V534-A548 HydrophobicContact CG2-CB 3.94Å; I543-A548 HydrophobicContact CB-CB 4.43Å; I543-A548 HydrophobicContact CG2-CB 4.13Å; E544-A548 WeakPolarHBondContact O-CB 3.45Å; E544-A548 PolarHBondContact O-N 3.46Å; A548-R552 PolarHBondContact O-N 3.26Å; A548-M553 HydrophobicContact CB-CB 4.25Å; A548-M553 HydrophobicContact CB-SD 4.11Å; A548-M553 WeakPolarHBondContact O-CB 3.45Å; A548-M553 PolarHBondContact O-N 3.06Å; A548-L555 HydrophobicContact CB-CB 4.49Å; A548-L555 HydrophobicContact CB-CD1 4.49Å; A548-L555 HydrophobicContact CB-CD2 4.27Å
549	A	93.8	Very high	95.6	Very high	52 Å²	52	59.5 Å²	59.5	43%	0.43	29%	0.286	S	S	.	.	H	α-helix	trans	-65.3	-49.1	174.9	0	0	0	0	0	111.7	C545 S546 Y547 K551 R552	C545-A549 VanDerWaalsContact O-CB 3.27Å; C545-A549 WeakPolarHBondContact O-CB 3.03Å; C545-A549 PolarHBondContact O-N 3.02Å; S546-A549 PolarHBondContact O-N 3.01Å; Y547-A549 VanDerWaalsContact C-N 3.3Å; Y547-A549 PolarHBondContact O-N 3.49Å; A549-K551 VanDerWaalsContact C-N 3.31Å; A549-K551 PolarHBondContact O-N 3.08Å; A549-R552 WeakPolarHBondContact O-CA 3.41Å; A549-R552 PolarHBondContact O-N 3.18Å
550	A	94.9	Very high	95.5	Very high	80 Å²	80	56.7 Å²	56.7	66%	0.661	29%	0.287	S	S	*	.	H	α-helix	trans	-59.9	-39.8	179.5	0	0	0	0	0	112.4	S546 Y547 R552	S546-A550 WeakPolarHBondContact O-CB 3.35Å; S546-A550 PolarHBondContact O-N 3.14Å; Y547-A550 PolarHBondContact O-N 3.25Å; A550-R552 PolarHBondContact O-N 3.4Å
551	K	96.2	Very high	95.4	Very high	130 Å²	130	60 Å²	60	57%	0.565	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	5.9	175.3	-62.1	-59.5	-175.8	-177.3	0	113.7	Y547 A549 M553	Y547-K551 HydrophobicContact CD1-CG 4.3Å; Y547-K551 HydrophobicContact CD2-CG 4.31Å; Y547-K551 HydrophobicContact CE1-CG 3.89Å; Y547-K551 HydrophobicContact CE2-CD 4.39Å; Y547-K551 HydrophobicContact CE2-CG 3.88Å; Y547-K551 HydrophobicContact CG-CG 4.5Å; Y547-K551 WeakPolarHBondContact O-CB 3.46Å; Y547-K551 WeakPolarHBondContact O-CG 3.34Å; Y547-K551 PolarHBondContact O-N 3.49Å; A549-K551 VanDerWaalsContact C-N 3.31Å; A549-K551 PolarHBondContact O-N 3.08Å; K551-M553 HydrophobicContact CB-CG 3.82Å; K551-M553 HydrophobicContact CB-SD 4.27Å; K551-M553 PolarHBondContact O-N 3.08Å
552	R	95.1	Very high	95.3	Very high	206 Å²	206	57.9 Å²	57.9	78%	0.777	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	34.1	179.1	-57.9	179.8	177.5	177.2	-0.8	113.2	A548 A549 A550 K569	A548-R552 PolarHBondContact O-N 3.26Å; A549-R552 WeakPolarHBondContact O-CA 3.41Å; A549-R552 PolarHBondContact O-N 3.18Å; A550-R552 PolarHBondContact O-N 3.4Å; R552-K569 PolarHBondContact O-NZ 3.16Å
553	M	96.8	Very high	95.3	Very high	44 Å²	44	58.6 Å²	58.6	22%	0.217	31%	0.307	C	S	.	.			trans	-65.5	176.2	-179.3	-59.2	-178.6	77.7	0	0	111.3	V534 V536 I543 Y547 A548 K551 L555	V534-M553 HydrophobicContact CG1-CB 3.72Å; V534-M553 HydrophobicContact CG1-CE 4Å; V536-M553 HydrophobicContact CG2-CE 3.64Å; I543-M553 HydrophobicContact CG2-SD 4.34Å; Y547-M553 HydrophobicContact CD1-SD 4.41Å; Y547-M553 HydrophobicContact CE1-SD 4.32Å; A548-M553 HydrophobicContact CB-CB 4.25Å; A548-M553 HydrophobicContact CB-SD 4.11Å; A548-M553 WeakPolarHBondContact O-CB 3.45Å; A548-M553 PolarHBondContact O-N 3.06Å; K551-M553 HydrophobicContact CB-CG 3.82Å; K551-M553 HydrophobicContact CB-SD 4.27Å; K551-M553 PolarHBondContact O-N 3.08Å; M553-L555 VanDerWaalsContact C-N 3.33Å; M553-L555 PolarHBondContact O-N 2.04Å
554	K	97.5	Very high	95.5	Very high	64 Å²	64	58.7 Å²	58.7	28%	0.278	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-91.9	63.8	-175.4	-60.2	175.6	-170	164.7	0	110.7	D535 N567 K569	D535-K554 HydrophobicContact CB-CB 3.83Å; D535-K554 HydrophobicContact CB-CD 4.01Å; D535-K554 PolarHBondContact N-O 3.22Å; D535-K554 VanDerWaalsContact N-O 3.14Å; K554-N567 PolarHBondContact O-ND2 3.14Å; K554-K569 HydrophobicContact CG-CB 4.15Å; K554-K569 HydrophobicContact CG-CD 4.2Å
555	L	97.3	Very high	95.7	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	30%	0.296	C	S	.	.			trans	-95.3	4.4	-177.6	75.5	147.3	0	0	0	115.7	Q515 C532 V534 A548 M553 W557	Q515-L555 HydrophobicContact CG-CD1 3.9Å; Q515-L555 HydrophobicContact CG-CG 4.44Å; C532-L555 HydrophobicContact CB-CD1 4.48Å; V534-L555 HydrophobicContact CG2-CB 3.94Å; A548-L555 HydrophobicContact CB-CB 4.49Å; A548-L555 HydrophobicContact CB-CD1 4.49Å; A548-L555 HydrophobicContact CB-CD2 4.27Å; M553-L555 VanDerWaalsContact C-N 3.33Å; M553-L555 PolarHBondContact O-N 2.04Å; L555-W557 PolarHBondContact O-NE1 3.32Å
556	H	98.1	Very high	95.9	Very high	56 Å²	56	57 Å²	57	26%	0.259	30%	0.302	S	S	.	.			trans	-104.8	129.3	-174.9	-59.5	80.4	0	0	0	111	N513 Q514 R568	N513-H556 PolarHBondContact O-CD2 3.23Å; N513-H556 VanDerWaalsContact O-CD2 3.27Å; Q514-H556 CarbonylContact O-C 3.18Å; Q514-H556 WeakPolarHBondContact O-CA 3.22Å; H556-R568 HydrophobicContact CB-CB 4.26Å; H556-R568 PolarHBondContact O-N 2.98Å
557	W	98.2	Very high	96.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	122.7	-168.6	-56.1	91.4	0	0	0	112	Y510 Q514 F516 L533 D535 L555 I565 Q566 N567 L590	Y510-W557 PolarHBondContact OH-O 3.16Å; Q514-W557 WeakPolarHBondContact CB-O 3.46Å; Q514-W557 PolarHBondContact O-N 3.2Å; F516-W557 HydrophobicContact CD2-CB 3.67Å; F516-W557 AromaticContact CD2-CD1 3.76Å; F516-W557 AromaticContact CD2-CG 3.78Å; F516-W557 HydrophobicContact CD2-CG 3.78Å; F516-W557 HydrophobicContact CE2-CB 3.62Å; F516-W557 HydrophobicContact CE2-CG 4.17Å; L533-W557 HydrophobicContact CD2-CD2 4.48Å; L533-W557 HydrophobicContact CD2-CH2 4.46Å; L533-W557 HydrophobicContact CD2-CZ2 3.99Å; L533-W557 HydrophobicContact CG-CZ2 3.8Å; L533-W557 PolarHBondContact O-NE1 3.12Å; D535-W557 HydrophobicContact CB-CH2 4.22Å; D535-W557 HydrophobicContact CB-CZ2 4.45Å; L555-W557 PolarHBondContact O-NE1 3.32Å; W557-I565 HydrophobicContact CB-CG2 4.24Å; W557-I565 HydrophobicContact CD2-CG2 4.16Å; W557-I565 HydrophobicContact CE3-CG2 3.7Å; W557-I565 HydrophobicContact CG-CG2 4.41Å; W557-I565 HydrophobicContact CZ3-CG2 4.41Å; W557-Q566 CarbonylContact C-O 3.44Å; W557-Q566 WeakPolarHBondContact CA-O 3.16Å; W557-N567 HydrophobicContact CD2-CB 4.47Å; W557-N567 HydrophobicContact CE3-CB 3.81Å; W557-N567 HydrophobicContact CH2-CB 4.1Å; W557-N567 HydrophobicContact CZ3-CB 3.62Å; W557-L590 HydrophobicContact CH2-CD1 4.01Å; W557-L590 HydrophobicContact CH2-CD2 3.64Å; W557-L590 HydrophobicContact CZ3-CD2 3.92Å
558	L	97.6	Very high	96.4	Very high	68 Å²	68	55.8 Å²	55.8	36%	0.356	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	124.2	168.4	-58.7	174.3	0	0	0	108.4	Q566 R568	L558-Q566 HydrophobicContact CB-CB 4.44Å; L558-Q566 PolarHBondContact N-O 3.19Å; L558-Q566 PolarHBondContact O-N 3.17Å; L558-R568 HydrophobicContact CD1-CG 4.45Å; L558-R568 HydrophobicContact CD2-CG 4.15Å; L558-R568 HydrophobicContact CG-CG 4.15Å
559	F	96.7	Very high	96.5	Very high	20 Å²	20	61.6 Å²	61.6	9%	0.088	31%	0.314	C	S	.	.			trans	-147.7	143.2	179.6	171.2	-111.2	0	0	0	110.8	Y510 F516 I565 W598 I600	Y510-F559 AromaticContact CD1-CD1 3.92Å; Y510-F559 HydrophobicContact CD1-CD1 3.92Å; Y510-F559 HydrophobicContact CD2-CD1 4.38Å; Y510-F559 HydrophobicContact CE1-CB 4.32Å; Y510-F559 HydrophobicContact CE1-CD1 4.07Å; Y510-F559 HydrophobicContact CE2-CB 3.97Å; Y510-F559 HydrophobicContact CG-CD1 4.07Å; F516-F559 HydrophobicContact CE2-CB 4.03Å; F516-F559 HydrophobicContact CE2-CG 4.45Å; F516-F559 HydrophobicContact CZ-CB 3.78Å; F516-F559 AromaticContact CZ-CD1 3.92Å; F516-F559 HydrophobicContact CZ-CD1 3.92Å; F516-F559 HydrophobicContact CZ-CD2 4.25Å; F516-F559 AromaticContact CZ-CG 3.71Å; F516-F559 HydrophobicContact CZ-CG 3.71Å; F559-I565 HydrophobicContact CB-CG1 4.48Å; F559-I565 HydrophobicContact CD2-CD1 4.32Å; F559-I565 HydrophobicContact CD2-CG1 3.55Å; F559-I565 HydrophobicContact CE2-CG1 4.16Å; F559-I565 HydrophobicContact CG-CG1 4.29Å; F559-W598 HydrophobicContact CE2-CB 3.99Å; F559-I600 HydrophobicContact CD1-CD1 4.23Å; F559-I600 HydrophobicContact CE1-CD1 3.54Å; F559-I600 HydrophobicContact CE1-CG1 3.96Å; F559-I600 HydrophobicContact CZ-CD1 4.05Å; F559-I600 HydrophobicContact CZ-CG1 3.96Å
560	T	93.8	Very high	96.7	Very high	102 Å²	102	60.5 Å²	60.5	63%	0.626	30%	0.303	S	S	*	.			trans	-140.5	150.5	167.8	50.4	0	0	0	0	107.4	G562 G563	T560-G562 PolarHBondContact O-N 3.33Å; T560-G563 WeakPolarHBondContact O-CA 3.23Å; T560-G563 PolarHBondContact O-N 3.49Å
561	Q	94.9	Very high	96.8	Very high	79 Å²	79	62.4 Å²	62.4	37%	0.369	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	126.1	179.9	-75.8	-70.1	-8.4	0	0	111.3	G563 I600 V603	Q561-G563 PolarHBondContact O-N 3.48Å; Q561-I600 PolarHBondContact NE2-O 2.92Å; Q561-V603 HydrophobicContact CG-CG2 3.96Å
562	G	94.8	Very high	96.9	Very high	19 Å²	19	60.6 Å²	60.6	20%	0.196	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	7.3	-175.5	0	0	0	0	0	115.1	T560 K597 W598 F599	T560-G562 PolarHBondContact O-N 3.33Å; G562-K597 WeakPolarHBondContact O-CB 3.34Å; G562-K597 VanDerWaalsContact O-CG 3.23Å; G562-K597 WeakPolarHBondContact O-CG 3.28Å; G562-W598 WeakPolarHBondContact CA-O 3.35Å; G562-W598 PolarHBondContact N-O 2.83Å; G562-F599 VanDerWaalsContact CA-CZ 3.47Å
563	G	95.5	Very high	97	Very high	18 Å²	18	50.8 Å²	50.8	19%	0.186	25%	0.249	C	C	.	.	S	Bend	trans	-97.8	-176.2	173.6	0	0	0	0	0	113.2	T560 Q561 W598	T560-G563 WeakPolarHBondContact O-CA 3.23Å; T560-G563 PolarHBondContact O-N 3.49Å; Q561-G563 PolarHBondContact O-N 3.48Å; G563-W598 PolarHBondContact O-N 2.8Å
564	S	97.1	Very high	97.1	Very high	41 Å²	41	48.7 Å²	48.7	29%	0.287	24%	0.239	S	C	.	.			trans	-81.4	156.4	172.3	59.9	0	0	0	0	111.6	Q596	S564-Q596 WeakPolarHBondContact CA-O 3.5Å
565	I	98.2	Very high	97.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	100.5	171.2	-65.9	172.9	0	0	0	107.5	L475 F516 W557 F559 C573 L574 W598	L475-I565 HydrophobicContact CD1-CD1 4.06Å; L475-I565 HydrophobicContact CD2-CD1 3.82Å; F516-I565 HydrophobicContact CD2-CG2 4.45Å; F516-I565 HydrophobicContact CE1-CD1 4.3Å; F516-I565 HydrophobicContact CE2-CD1 4.49Å; F516-I565 HydrophobicContact CE2-CG1 4.41Å; F516-I565 HydrophobicContact CE2-CG2 3.79Å; F516-I565 HydrophobicContact CZ-CD1 3.89Å; F516-I565 HydrophobicContact CZ-CG1 4.03Å; F516-I565 HydrophobicContact CZ-CG2 4.23Å; W557-I565 HydrophobicContact CB-CG2 4.24Å; W557-I565 HydrophobicContact CD2-CG2 4.16Å; W557-I565 HydrophobicContact CE3-CG2 3.7Å; W557-I565 HydrophobicContact CG-CG2 4.41Å; W557-I565 HydrophobicContact CZ3-CG2 4.41Å; F559-I565 HydrophobicContact CB-CG1 4.48Å; F559-I565 HydrophobicContact CD2-CD1 4.32Å; F559-I565 HydrophobicContact CD2-CG1 3.55Å; F559-I565 HydrophobicContact CE2-CG1 4.16Å; F559-I565 HydrophobicContact CG-CG1 4.29Å; I565-C573 CarbonylContact O-C 3.58Å; I565-C573 WeakPolarHBondContact O-CA 3.15Å; I565-L574 HydrophobicContact CB-CB 4.09Å; I565-L574 HydrophobicContact CD1-CD2 4.24Å; I565-L574 HydrophobicContact CG2-CB 4.03Å; I565-L574 PolarHBondContact O-N 3.38Å; I565-W598 HydrophobicContact CD1-CB 3.72Å; I565-W598 HydrophobicContact CD1-CD2 3.85Å; I565-W598 HydrophobicContact CD1-CE3 4.37Å; I565-W598 HydrophobicContact CD1-CG 3.57Å; I565-W598 HydrophobicContact CG1-CB 3.95Å; I565-W598 HydrophobicContact CG1-CG 3.89Å
566	Q	98.3	Very high	97	Very high	51 Å²	51	45.9 Å²	45.9	24%	0.238	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.5	-174.2	-170.4	-177.5	38.7	0	0	112.7	W557 L558 R568 K571	W557-Q566 CarbonylContact C-O 3.44Å; W557-Q566 WeakPolarHBondContact CA-O 3.16Å; L558-Q566 HydrophobicContact CB-CB 4.44Å; L558-Q566 PolarHBondContact N-O 3.19Å; L558-Q566 PolarHBondContact O-N 3.17Å; Q566-R568 PolarHBondContact O-N 3.41Å; Q566-K571 PolarHBondContact NE2-O 2.91Å
567	N	98.4	Very high	96.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	130.4	174.7	-166.2	-88.2	0	0	0	111.8	K554 W557 K569 S570 K571 R572	K554-N567 PolarHBondContact O-ND2 3.14Å; W557-N567 HydrophobicContact CD2-CB 4.47Å; W557-N567 HydrophobicContact CE3-CB 3.81Å; W557-N567 HydrophobicContact CH2-CB 4.1Å; W557-N567 HydrophobicContact CZ3-CB 3.62Å; N567-K569 VanDerWaalsContact C-N 3.31Å; N567-K569 PolarHBondContact O-N 2.86Å; N567-K569 PolarHBondContact OD1-N 2.94Å; N567-K569 VanDerWaalsContact OD1-N 3.1Å; N567-S570 VanDerWaalsContact CB-OG 3.29Å; N567-S570 WeakPolarHBondContact CB-OG 3.05Å; N567-S570 PolarHBondContact OD1-N 3.24Å; N567-S570 VanDerWaalsContact OD1-N 3.08Å; N567-S570 PolarHBondContact OD1-OG 2.93Å; N567-K571 WeakPolarHBondContact O-CA 3.22Å; N567-K571 PolarHBondContact O-N 2.83Å; N567-R572 PolarHBondContact N-O 3.28Å
568	R	97.3	Very high	96.6	Very high	139 Å²	139	50.1 Å²	50.1	53%	0.525	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-35.8	-175.6	-128.4	-170.9	82.6	-170	6.4	113.5	H556 L558 Q566 K571	H556-R568 HydrophobicContact CB-CB 4.26Å; H556-R568 PolarHBondContact O-N 2.98Å; L558-R568 HydrophobicContact CD1-CG 4.45Å; L558-R568 HydrophobicContact CD2-CG 4.15Å; L558-R568 HydrophobicContact CG-CG 4.15Å; Q566-R568 PolarHBondContact O-N 3.41Å; R568-K571 WeakPolarHBondContact O-CE 3.39Å; R568-K571 PolarHBondContact O-NZ 3.15Å
569	K	96.6	Very high	96.2	Very high	123 Å²	123	48.5 Å²	48.5	54%	0.535	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-53.6	-174.6	-72.9	-175.9	-179.9	175.5	0	112.4	R552 K554 N567 K571	R552-K569 PolarHBondContact O-NZ 3.16Å; K554-K569 HydrophobicContact CG-CB 4.15Å; K554-K569 HydrophobicContact CG-CD 4.2Å; N567-K569 VanDerWaalsContact C-N 3.31Å; N567-K569 PolarHBondContact O-N 2.86Å; N567-K569 PolarHBondContact OD1-N 2.94Å; N567-K569 VanDerWaalsContact OD1-N 3.1Å; K569-K571 VanDerWaalsContact C-N 3.31Å
570	S	96.8	Very high	95.7	Very high	28 Å²	28	52.7 Å²	52.7	20%	0.196	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-14	-176.9	62.5	0	0	0	0	114	D535 N567 R572	D535-S570 WeakPolarHBondContact OD2-CB 3.3Å; D535-S570 PolarHBondContact OD2-OG 3.47Å; N567-S570 VanDerWaalsContact CB-OG 3.29Å; N567-S570 WeakPolarHBondContact CB-OG 3.05Å; N567-S570 PolarHBondContact OD1-N 3.24Å; N567-S570 VanDerWaalsContact OD1-N 3.08Å; N567-S570 PolarHBondContact OD1-OG 2.93Å; S570-R572 PolarHBondContact O-N 3.45Å
571	K	97.5	Very high	95.1	Very high	121 Å²	121	54.7 Å²	54.7	53%	0.526	29%	0.287	S	S	.	.			trans	61	8.3	-175.1	-51.6	-55.6	-170.8	-173.2	0	114.6	Q566 N567 R568 K569	Q566-K571 PolarHBondContact NE2-O 2.91Å; N567-K571 WeakPolarHBondContact O-CA 3.22Å; N567-K571 PolarHBondContact O-N 2.83Å; R568-K571 WeakPolarHBondContact O-CE 3.39Å; R568-K571 PolarHBondContact O-NZ 3.15Å; K569-K571 VanDerWaalsContact C-N 3.31Å
572	R	97.9	Very high	94.6	Very high	91 Å²	91	53.7 Å²	53.7	34%	0.343	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-77.7	147.8	172.9	-64.9	-175.6	-179.5	115.9	-1.4	110.4	D535 N567 S570 L590 Q591	D535-R572 IonicContact OD1-NH1 2.74Å; D535-R572 IonicContact OD2-NH1 3.65Å; N567-R572 PolarHBondContact N-O 3.28Å; S570-R572 PolarHBondContact O-N 3.45Å; R572-L590 HydrophobicContact CB-CB 4.2Å; R572-Q591 CarbonylContact C-O 3.58Å; R572-Q591 WeakPolarHBondContact CA-O 3.32Å; R572-Q591 WeakPolarHBondContact CB-O 3.17Å
573	C	98.2	Very high	94	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	149.2	171.5	-76.7	0	0	0	0	111.2	I565 E575 L590 Q591 C593	I565-C573 CarbonylContact O-C 3.58Å; I565-C573 WeakPolarHBondContact O-CA 3.15Å; C573-E575 HydrophobicContact CB-CG 3.98Å; C573-E575 WeakPolarHBondContact CB-OE1 3.29Å; C573-E575 PolarHBondContact O-N 3.09Å; C573-L590 WeakPolarHBondContact O-CA 3.23Å; C573-Q591 PolarHBondContact N-O 3.31Å; C573-Q591 PolarHBondContact O-N 3.27Å; C573-Q591 VanDerWaalsContact O-N 3.13Å; C573-C593 HydrophobicContact CB-CB 3.83Å; C573-C593 WeakPolarHBondContact CB-SG 3.25Å; C573-C593 WeakPolarHBondContact SG-CB 3.42Å; C573-C593 CovalentContact SG-SG 2.03Å; C573-C593 PolarHBondContact SG-SG 2.94Å
574	L	98.2	Very high	93.6	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	117.9	162.6	-172.8	71.5	0	0	0	108.2	L533 P540 I565 L588 L590 W598	L533-L574 HydrophobicContact CD2-CD2 4.05Å; P540-L574 HydrophobicContact CB-CD1 4.1Å; P540-L574 HydrophobicContact CG-CD1 4.47Å; I565-L574 HydrophobicContact CB-CB 4.09Å; I565-L574 HydrophobicContact CD1-CD2 4.24Å; I565-L574 HydrophobicContact CG2-CB 4.03Å; I565-L574 PolarHBondContact O-N 3.38Å; L574-L588 HydrophobicContact CD1-CB 4.41Å; L574-L588 HydrophobicContact CD1-CD2 4.1Å; L574-L588 HydrophobicContact CD2-CD2 4.38Å; L574-L588 HydrophobicContact CG-CD2 4.23Å; L574-L590 HydrophobicContact CB-CD2 4.12Å; L574-L590 HydrophobicContact CD1-CD2 3.76Å; L574-W598 HydrophobicContact CD2-CH2 4.34Å; L574-W598 HydrophobicContact CD2-CZ2 4.16Å; L574-W598 HydrophobicContact CG-CZ2 4.07Å; L574-W598 PolarHBondContact O-NE1 3.49Å
575	E	97.2	Very high	93.2	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	148.7	-172.9	-60.7	-72.3	-177.2	0	0	109.8	C573 A589 Q591 C593 T594 Q596	C573-E575 HydrophobicContact CB-CG 3.98Å; C573-E575 WeakPolarHBondContact CB-OE1 3.29Å; C573-E575 PolarHBondContact O-N 3.09Å; E575-A589 PolarHBondContact N-O 3.31Å; E575-A589 PolarHBondContact O-N 3.32Å; E575-Q591 HydrophobicContact CB-CG 3.9Å; E575-Q591 HydrophobicContact CG-CG 3.68Å; E575-C593 VanDerWaalsContact OE1-CA 3.3Å; E575-C593 WeakPolarHBondContact OE1-CA 3.4Å; E575-T594 PolarHBondContact OE1-N 3.21Å; E575-T594 PolarHBondContact OE1-OG1 3.05Å; E575-T594 PolarHBondContact OE2-OG1 2.79Å; E575-Q596 WeakPolarHBondContact OE2-CB 3.43Å; E575-Q596 WeakPolarHBondContact OE2-CG 3.41Å; E575-Q596 PolarHBondContact OE2-NE2 3.23Å; E575-Q596 VanDerWaalsContact OE2-NE2 3.07Å; E575-Q596 PolarHBondContact OE2-OE1 3.43Å
576	L	95.9	Very high	92.9	Very high	7 Å²	7	64 Å²	64	4%	0.037	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	127.3	164.9	-64.4	-168.5	0	0	0	109.9	N477 L479 K480 L497 Y586 L588 Q596 W598	N477-L576 HydrophobicContact CB-CD1 3.47Å; N477-L576 VanDerWaalsContact CB-CD1 3.47Å; N477-L576 HydrophobicContact CB-CG 3.98Å; L479-L576 HydrophobicContact CB-CD1 4.43Å; L479-L576 HydrophobicContact CD1-CB 4.36Å; K480-L576 HydrophobicContact CB-CD1 4.29Å; L497-L576 HydrophobicContact CD1-CD2 3.31Å; L497-L576 HydrophobicContact CD2-CD2 3.88Å; L497-L576 HydrophobicContact CG-CD2 4.17Å; L576-Y586 HydrophobicContact CB-CD1 3.9Å; L576-Y586 HydrophobicContact CB-CE1 4.49Å; L576-L588 HydrophobicContact CD2-CD2 3.9Å; L576-Q596 PolarHBondContact O-NE2 3.21Å; L576-W598 HydrophobicContact CD2-CH2 3.81Å; L576-W598 HydrophobicContact CD2-CZ2 4.22Å; L576-W598 HydrophobicContact CG-CH2 4.04Å; L576-W598 HydrophobicContact CG-CZ2 4.13Å
577	V	94.6	Very high	92.6	Very high	40 Å²	40	65.2 Å²	65.2	24%	0.242	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	135.7	177	-177	0	0	0	0	108.8	N579 Y586 Q587 A589	V577-N579 PolarHBondContact O-N 3.31Å; V577-Y586 CarbonylContact O-C 3.49Å; V577-Y586 WeakPolarHBondContact O-CA 3.38Å; V577-Q587 HydrophobicContact CB-CG 4.4Å; V577-Q587 PolarHBondContact N-O 3.09Å; V577-Q587 PolarHBondContact O-N 3.12Å; V577-A589 HydrophobicContact CB-CB 4.46Å; V577-A589 HydrophobicContact CG2-CB 3.66Å
578	V	92.6	Very high	92.5	Very high	105 Å²	105	66.3 Å²	66.3	64%	0.636	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.4	128.6	175.9	-179.9	0	0	0	0	109.1	G585 Y586	V578-G585 WeakPolarHBondContact CA-O 3.37Å; V578-Y586 HydrophobicContact CG2-CD1 4.43Å; V578-Y586 HydrophobicContact CG2-CE1 3.82Å
579	N	90.5	Very high	92.4	Very high	34 Å²	34	60.8 Å²	60.8	18%	0.182	32%	0.317	C	S	.	.			trans	-139.2	111.1	173.6	-176.6	-5	0	0	0	108.7	V577 D581 N582 G585 Q587	V577-N579 PolarHBondContact O-N 3.31Å; N579-D581 PolarHBondContact O-N 3.03Å; N579-D581 WeakPolarHBondContact OD1-CB 3.49Å; N579-D581 PolarHBondContact OD1-N 3.01Å; N579-N582 HydrophobicContact CB-CB 4.27Å; N579-N582 PolarHBondContact O-N 3.41Å; N579-G585 PolarHBondContact N-O 3.11Å; N579-G585 CarbonylContact O-C 3.55Å; N579-G585 VanDerWaalsContact O-C 3.26Å; N579-G585 VanDerWaalsContact O-CA 3.27Å; N579-G585 WeakPolarHBondContact O-CA 3.32Å; N579-Q587 HydrophobicContact CB-CB 4.26Å; N579-Q587 HydrophobicContact CB-CG 3.87Å; N579-Q587 VanDerWaalsContact ND2-CD 3.29Å; N579-Q587 PolarHBondContact ND2-OE1 2.74Å
580	S	84.9	Confident	92.5	Very high	107 Å²	107	55.5 Å²	55.5	75%	0.748	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-21.8	179.9	49.8	0	0	0	0	113.8	N582	S580-N582 VanDerWaalsContact C-N 3.33Å
581	D	82.6	Confident	92.4	Very high	145 Å²	145	57.5 Å²	57.5	78%	0.775	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-8.4	-176.9	-54.5	-21.7	0	0	0	111.9	N579	N579-D581 PolarHBondContact O-N 3.03Å; N579-D581 WeakPolarHBondContact OD1-CB 3.49Å; N579-D581 PolarHBondContact OD1-N 3.01Å
582	N	84.1	Confident	92.4	Very high	57 Å²	57	60.6 Å²	60.6	31%	0.305	31%	0.314	S	S	.	.	S	Bend	trans	-91.3	137.2	174.6	-169.2	-50.2	0	0	0	109.7	N579 S580 F584 G585 Y586	N579-N582 HydrophobicContact CB-CB 4.27Å; N579-N582 PolarHBondContact O-N 3.41Å; S580-N582 VanDerWaalsContact C-N 3.33Å; N582-F584 PolarHBondContact O-N 3.09Å; N582-F584 VanDerWaalsContact O-N 3.12Å; N582-F584 PolarHBondContact OD1-N 3.29Å; N582-F584 VanDerWaalsContact OD1-N 3.1Å; N582-G585 PolarHBondContact O-N 3.23Å; N582-Y586 PolarHBondContact ND2-O 3.31Å
583	E	82.5	Confident	92.3	Very high	172 Å²	172	58.8 Å²	58.8	80%	0.804	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-38.9	178.9	-174.1	177.9	-178.3	0	0	113
584	F	85.8	Confident	92.2	Very high	49 Å²	49	63.2 Å²	63.2	22%	0.215	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	6	-178.8	-56.2	-66.6	0	0	0	113.9	L483 Y498 L499 N582 Y586	L483-F584 HydrophobicContact CD1-CB 3.84Å; L483-F584 HydrophobicContact CD2-CB 4.11Å; L483-F584 HydrophobicContact CD2-CD1 4Å; L483-F584 HydrophobicContact CD2-CG 4.01Å; Y498-F584 AromaticContact CD2-CE2 3.84Å; Y498-F584 HydrophobicContact CD2-CE2 3.84Å; Y498-F584 AromaticContact CD2-CZ 3.99Å; Y498-F584 HydrophobicContact CD2-CZ 3.99Å; Y498-F584 HydrophobicContact CE2-CE2 4.17Å; Y498-F584 AromaticContact CE2-CZ 3.96Å; Y498-F584 HydrophobicContact CE2-CZ 3.96Å; L499-F584 HydrophobicContact CG-CE1 4.21Å; N582-F584 PolarHBondContact O-N 3.09Å; N582-F584 VanDerWaalsContact O-N 3.12Å; N582-F584 PolarHBondContact OD1-N 3.29Å; N582-F584 VanDerWaalsContact OD1-N 3.1Å; F584-Y586 PolarHBondContact O-N 3.25Å; F584-Y586 VanDerWaalsContact O-N 3.12Å
585	G	88.6	Confident	92	Very high	24 Å²	24	65.7 Å²	65.7	25%	0.247	37%	0.368	C	S	.	.	S	Bend	trans	71.1	0.8	176.4	0	0	0	0	0	115.4	V578 N579 N582	V578-G585 WeakPolarHBondContact CA-O 3.37Å; N579-G585 PolarHBondContact N-O 3.11Å; N579-G585 CarbonylContact O-C 3.55Å; N579-G585 VanDerWaalsContact O-C 3.26Å; N579-G585 VanDerWaalsContact O-CA 3.27Å; N579-G585 WeakPolarHBondContact O-CA 3.32Å; N582-G585 PolarHBondContact O-N 3.23Å
586	Y	92.4	Very high	92	Very high	50 Å²	50	66.5 Å²	66.5	20%	0.196	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.9	-178.8	-76.3	-92.7	0	0	0	111	K480 L576 V577 V578 N582 F584	K480-Y586 HydrophobicContact CD-CD2 4.37Å; K480-Y586 HydrophobicContact CD-CE2 4.05Å; K480-Y586 HydrophobicContact CG-CD2 3.79Å; K480-Y586 HydrophobicContact CG-CE2 3.72Å; K480-Y586 HydrophobicContact CG-CG 4.32Å; L576-Y586 HydrophobicContact CB-CD1 3.9Å; L576-Y586 HydrophobicContact CB-CE1 4.49Å; V577-Y586 CarbonylContact O-C 3.49Å; V577-Y586 WeakPolarHBondContact O-CA 3.38Å; V578-Y586 HydrophobicContact CG2-CD1 4.43Å; V578-Y586 HydrophobicContact CG2-CE1 3.82Å; N582-Y586 PolarHBondContact ND2-O 3.31Å; F584-Y586 PolarHBondContact O-N 3.25Å; F584-Y586 VanDerWaalsContact O-N 3.12Å
587	Q	92.8	Very high	92.1	Very high	77 Å²	77	71.6 Å²	71.6	36%	0.36	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	154.6	172.9	68	-177.7	-8.1	0	0	111.4	V577 N579	V577-Q587 HydrophobicContact CB-CG 4.4Å; V577-Q587 PolarHBondContact N-O 3.09Å; V577-Q587 PolarHBondContact O-N 3.12Å; N579-Q587 HydrophobicContact CB-CB 4.26Å; N579-Q587 HydrophobicContact CB-CG 3.87Å; N579-Q587 VanDerWaalsContact ND2-CD 3.29Å; N579-Q587 PolarHBondContact ND2-OE1 2.74Å
588	L	95.3	Very high	92.2	Very high	23 Å²	23	69.8 Å²	69.8	12%	0.12	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	130.4	173	-66.3	161.5	0	0	0	110.4	L485 P495 L497 P540 L574 L576 W598	L485-L588 HydrophobicContact CD1-CD1 3.32Å; L485-L588 HydrophobicContact CD1-CD2 4.15Å; L485-L588 HydrophobicContact CD1-CG 4.39Å; P495-L588 HydrophobicContact CB-CD1 4.17Å; P495-L588 HydrophobicContact CG-CD1 4.23Å; L497-L588 HydrophobicContact CD1-CD2 4.39Å; L497-L588 HydrophobicContact CD1-CG 4.1Å; L497-L588 HydrophobicContact CD2-CD1 4.49Å; L497-L588 HydrophobicContact CD2-CD2 4.04Å; L497-L588 HydrophobicContact CD2-CG 4.23Å; L497-L588 HydrophobicContact CG-CD1 4.19Å; L497-L588 HydrophobicContact CG-CD2 4.21Å; L497-L588 HydrophobicContact CG-CG 3.87Å; P540-L588 HydrophobicContact CG-CB 4.14Å; L574-L588 HydrophobicContact CD1-CB 4.41Å; L574-L588 HydrophobicContact CD1-CD2 4.1Å; L574-L588 HydrophobicContact CD2-CD2 4.38Å; L574-L588 HydrophobicContact CG-CD2 4.23Å; L576-L588 HydrophobicContact CD2-CD2 3.9Å; L588-W598 HydrophobicContact CD2-CH2 3.85Å; L588-W598 HydrophobicContact CD2-CZ2 4.41Å
589	A	95.6	Very high	92.4	Very high	22 Å²	22	67.8 Å²	67.8	18%	0.182	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	153	174.6	0	0	0	0	0	111.5	E575 V577	E575-A589 PolarHBondContact N-O 3.31Å; E575-A589 PolarHBondContact O-N 3.32Å; V577-A589 HydrophobicContact CB-CB 4.46Å; V577-A589 HydrophobicContact CG2-CB 3.66Å
590	L	97.6	Very high	92.7	Very high	13 Å²	13	66.4 Å²	66.4	7%	0.068	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	109.7	167	-60.2	-178.3	0	0	0	109.3	D535 P540 W557 R572 C573 L574	D535-L590 HydrophobicContact CB-CD1 3.47Å; D535-L590 VanDerWaalsContact CB-CD1 3.47Å; P540-L590 HydrophobicContact CB-CD1 4.48Å; P540-L590 HydrophobicContact CB-CD2 4.44Å; P540-L590 HydrophobicContact CB-CG 4.26Å; W557-L590 HydrophobicContact CH2-CD1 4.01Å; W557-L590 HydrophobicContact CH2-CD2 3.64Å; W557-L590 HydrophobicContact CZ3-CD2 3.92Å; R572-L590 HydrophobicContact CB-CB 4.2Å; C573-L590 WeakPolarHBondContact O-CA 3.23Å; L574-L590 HydrophobicContact CB-CD2 4.12Å; L574-L590 HydrophobicContact CD1-CD2 3.76Å
591	Q	96.4	Very high	93.1	Very high	69 Å²	69	63.7 Å²	63.7	32%	0.322	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	-172.6	-176.4	64.3	179.1	9.8	0	0	112.2	R572 C573 E575	R572-Q591 CarbonylContact C-O 3.58Å; R572-Q591 WeakPolarHBondContact CA-O 3.32Å; R572-Q591 WeakPolarHBondContact CB-O 3.17Å; C573-Q591 PolarHBondContact N-O 3.31Å; C573-Q591 PolarHBondContact O-N 3.27Å; C573-Q591 VanDerWaalsContact O-N 3.13Å; E575-Q591 HydrophobicContact CB-CG 3.9Å; E575-Q591 HydrophobicContact CG-CG 3.68Å
592	K	96.6	Very high	93.7	Very high	187 Å²	187	57.9 Å²	57.9	81%	0.813	31%	0.311	S	S	*	.	S	Bend	trans	-61.9	138.4	172.7	-71.4	-177.1	179.8	178.7	0	109.2	T594	K592-T594 PolarHBondContact O-N 2.86Å
593	C	96.4	Very high	94	Very high	53 Å²	53	58 Å²	58	36%	0.358	31%	0.313	S	S	.	.			trans	-62.1	122.7	-177.8	-56.7	0	0	0	0	111.2	C573 E575	C573-C593 HydrophobicContact CB-CB 3.83Å; C573-C593 WeakPolarHBondContact CB-SG 3.25Å; C573-C593 WeakPolarHBondContact SG-CB 3.42Å; C573-C593 CovalentContact SG-SG 2.03Å; C573-C593 PolarHBondContact SG-SG 2.94Å; E575-C593 VanDerWaalsContact OE1-CA 3.3Å; E575-C593 WeakPolarHBondContact OE1-CA 3.4Å
594	T	96.1	Very high	94.2	Very high	92 Å²	92	51.6 Å²	51.6	56%	0.564	28%	0.284	S	S	*	.			trans	-102.7	1.2	176.6	61.6	0	0	0	0	112.4	E575 K592	E575-T594 PolarHBondContact OE1-N 3.21Å; E575-T594 PolarHBondContact OE1-OG1 3.05Å; E575-T594 PolarHBondContact OE2-OG1 2.79Å; K592-T594 PolarHBondContact O-N 2.86Å
595	G	93.8	Very high	93.3	Very high	53 Å²	53	56.1 Å²	56.1	55%	0.546	30%	0.304	S	S	.	.			trans	82.8	23.7	180	0	0	0	0	0	114.2
596	Q	96.5	Very high	91.2	Very high	18 Å²	18	60.1 Å²	60.1	8%	0.084	33%	0.329	C	S	.	.			trans	-63.6	147.3	172.6	-66.3	-179.5	25.5	0	0	111	N477 L479 S564 E575 L576	N477-Q596 PolarHBondContact ND2-OE1 3.34Å; L479-Q596 HydrophobicContact CD1-CG 3.81Å; L479-Q596 HydrophobicContact CG-CG 4.44Å; S564-Q596 WeakPolarHBondContact CA-O 3.5Å; E575-Q596 WeakPolarHBondContact OE2-CB 3.43Å; E575-Q596 WeakPolarHBondContact OE2-CG 3.41Å; E575-Q596 PolarHBondContact OE2-NE2 3.23Å; E575-Q596 VanDerWaalsContact OE2-NE2 3.07Å; E575-Q596 PolarHBondContact OE2-OE1 3.43Å; L576-Q596 PolarHBondContact O-NE2 3.21Å
597	K	97.6	Very high	88.4	Confident	113 Å²	113	65.2 Å²	65.2	49%	0.491	36%	0.359	S	S	.	.			trans	-107.5	123.4	-173.7	-55.8	-174.7	178.5	178.8	0	109.8	N477 S478 G562 F599	N477-K597 WeakPolarHBondContact CA-O 3.49Å; S478-K597 PolarHBondContact N-O 2.87Å; S478-K597 PolarHBondContact OG-O 3.11Å; G562-K597 WeakPolarHBondContact O-CB 3.34Å; G562-K597 VanDerWaalsContact O-CG 3.23Å; G562-K597 WeakPolarHBondContact O-CG 3.28Å; K597-F599 HydrophobicContact CB-CE2 3.88Å; K597-F599 HydrophobicContact CB-CZ 4.24Å
598	W	97.6	Very high	85.6	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.008	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	145.6	178.5	-68.9	92.2	0	0	0	110.9	L475 R476 N477 F559 G562 G563 I565 L574 L576 L588	L475-W598 HydrophobicContact CD1-CB 4.28Å; L475-W598 HydrophobicContact CD1-CE3 4.22Å; L475-W598 HydrophobicContact CD2-CE3 4.08Å; L475-W598 HydrophobicContact CD2-CZ3 4.32Å; L475-W598 HydrophobicContact CG-CE3 3.82Å; L475-W598 HydrophobicContact CG-CZ3 4.26Å; R476-W598 CarbonylContact O-C 3.59Å; R476-W598 WeakPolarHBondContact O-CA 3.32Å; N477-W598 HydrophobicContact CB-CD2 4.04Å; N477-W598 HydrophobicContact CB-CE3 3.78Å; N477-W598 HydrophobicContact CB-CH2 3.9Å; N477-W598 HydrophobicContact CB-CZ2 4.14Å; N477-W598 HydrophobicContact CB-CZ3 3.72Å; N477-W598 VanDerWaalsContact ND2-CZ2 3.27Å; N477-W598 WeakPolarHBondContact ND2-CZ2 3.3Å; N477-W598 PolarHBondContact ND2-NE1 3.38Å; F559-W598 HydrophobicContact CE2-CB 3.99Å; G562-W598 WeakPolarHBondContact CA-O 3.35Å; G562-W598 PolarHBondContact N-O 2.83Å; G563-W598 PolarHBondContact O-N 2.8Å; I565-W598 HydrophobicContact CD1-CB 3.72Å; I565-W598 HydrophobicContact CD1-CD2 3.85Å; I565-W598 HydrophobicContact CD1-CE3 4.37Å; I565-W598 HydrophobicContact CD1-CG 3.57Å; I565-W598 HydrophobicContact CG1-CB 3.95Å; I565-W598 HydrophobicContact CG1-CG 3.89Å; L574-W598 HydrophobicContact CD2-CH2 4.34Å; L574-W598 HydrophobicContact CD2-CZ2 4.16Å; L574-W598 HydrophobicContact CG-CZ2 4.07Å; L574-W598 PolarHBondContact O-NE1 3.49Å; L576-W598 HydrophobicContact CD2-CH2 3.81Å; L576-W598 HydrophobicContact CD2-CZ2 4.22Å; L576-W598 HydrophobicContact CG-CH2 4.04Å; L576-W598 HydrophobicContact CG-CZ2 4.13Å; L588-W598 HydrophobicContact CD2-CH2 3.85Å; L588-W598 HydrophobicContact CD2-CZ2 4.41Å
599	F	97.2	Very high	82.3	Confident	64 Å²	64	79.9 Å²	79.9	28%	0.281	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	132	-179.3	-58.9	-91.7	0	0	0	110.1	L475 R476 G562 K597	L475-F599 WeakPolarHBondContact CA-O 3.38Å; R476-F599 HydrophobicContact CG-CB 3.95Å; R476-F599 PolarHBondContact N-O 2.92Å; R476-F599 PolarHBondContact O-N 3.08Å; G562-F599 VanDerWaalsContact CA-CZ 3.47Å; K597-F599 HydrophobicContact CB-CE2 3.88Å; K597-F599 HydrophobicContact CB-CZ 4.24Å
600	I	96.2	Very high	81.7	Confident	5 Å²	5	82.8 Å²	82.8	3%	0.026	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	135.8	168.4	-59.5	172.7	0	0	0	107.7	A471 Y472 V474 L475 F516 F559 Q561 N602	A471-I600 HydrophobicContact CB-CB 4.25Å; A471-I600 HydrophobicContact CB-CD1 4.01Å; A471-I600 HydrophobicContact CB-CG2 4.06Å; Y472-I600 WeakPolarHBondContact O-CG2 3.37Å; V474-I600 WeakPolarHBondContact O-CA 3.35Å; L475-I600 HydrophobicContact CD1-CD1 4.28Å; L475-I600 HydrophobicContact CD1-CG1 3.38Å; F516-I600 HydrophobicContact CE1-CD1 3.81Å; F559-I600 HydrophobicContact CD1-CD1 4.23Å; F559-I600 HydrophobicContact CE1-CD1 3.54Å; F559-I600 HydrophobicContact CE1-CG1 3.96Å; F559-I600 HydrophobicContact CZ-CD1 4.05Å; F559-I600 HydrophobicContact CZ-CG1 3.96Å; Q561-I600 PolarHBondContact NE2-O 2.92Å; I600-N602 PolarHBondContact O-N 3.32Å
601	A	94.3	Very high	80.8	Confident	50 Å²	50	86.5 Å²	86.5	41%	0.413	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	-49.6	-171.6	0	0	0	0	0	114.6	V474	V474-A601 HydrophobicContact CG2-CB 3.85Å; V474-A601 PolarHBondContact O-N 3.24Å
602	N	94.3	Very high	80	Confident	22 Å²	22	87.4 Å²	87.4	12%	0.118	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.5	-172	-49.9	-55.5	0	0	0	110.6	N424 P426 A471 Y472 I600	N424-N602 PolarHBondContact OD1-ND2 3.37Å; P426-N602 WeakPolarHBondContact CB-OD1 3.24Å; A471-N602 CarbonylContact C-O 3.51Å; A471-N602 VanDerWaalsContact CA-O 3.22Å; A471-N602 WeakPolarHBondContact CA-O 3.48Å; A471-N602 WeakPolarHBondContact CB-O 3.29Å; Y472-N602 HydrophobicContact CD1-CB 3.85Å; Y472-N602 HydrophobicContact CD2-CB 4.09Å; Y472-N602 HydrophobicContact CE1-CB 3.49Å; Y472-N602 VanDerWaalsContact CE1-CB 3.49Å; Y472-N602 HydrophobicContact CE2-CB 3.78Å; Y472-N602 VanDerWaalsContact CE2-ND2 3.28Å; Y472-N602 WeakPolarHBondContact CE2-ND2 3.49Å; Y472-N602 HydrophobicContact CG-CB 4.13Å; Y472-N602 VanDerWaalsContact CZ-CB 3.47Å; Y472-N602 PolarHBondContact N-O 3.24Å; Y472-N602 WeakPolarHBondContact O-CA 3.4Å; Y472-N602 VanDerWaalsContact O-CB 3.26Å; Y472-N602 WeakPolarHBondContact O-CB 3.44Å; Y472-N602 PolarHBondContact O-N 3.32Å; Y472-N602 PolarHBondContact O-ND2 3.03Å; I600-N602 PolarHBondContact O-N 3.32Å
603	V	91.2	Very high	79	Confident	60 Å²	60	81.6 Å²	81.6	36%	0.364	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.8	175.7	-178.1	0	0	0	0	108.4	A471 Q561 F605	A471-V603 HydrophobicContact CB-CG2 4.38Å; Q561-V603 HydrophobicContact CG-CG2 3.96Å; V603-F605 PolarHBondContact O-N 3.31Å
604	L	86.6	Confident	77.9	Confident	37 Å²	37	83.4 Å²	83.4	19%	0.194	47%	0.466	C	S	.	.			trans	-81.3	96.8	170	-62.3	173.3	0	0	0	106.1	M421 I427 T469 I470 Y472 S606	M421-L604 HydrophobicContact SD-CD1 3.98Å; I427-L604 HydrophobicContact CD1-CD2 3.25Å; I427-L604 HydrophobicContact CG1-CD2 4.08Å; T469-L604 HydrophobicContact CG2-CD1 4.19Å; T469-L604 WeakPolarHBondContact O-CD1 3.45Å; I470-L604 WeakPolarHBondContact O-CB 3.48Å; I470-L604 PolarHBondContact O-N 3.43Å; Y472-L604 HydrophobicContact CD1-CD1 4.15Å; Y472-L604 HydrophobicContact CD1-CD2 4.24Å; Y472-L604 HydrophobicContact CD1-CG 3.94Å; Y472-L604 HydrophobicContact CE1-CD1 4.31Å; Y472-L604 HydrophobicContact CE1-CD2 3.6Å; Y472-L604 HydrophobicContact CE1-CG 3.8Å; L604-S606 PolarHBondContact O-N 3.2Å
605	F	65.6	Low	76.7	Confident	144 Å²	144	82.8 Å²	82.8	63%	0.632	46%	0.46	S	S	*	.			trans	-56.5	116.1	177.1	-72.7	-77.6	0	0	0	109.3	V603 N607	V603-F605 PolarHBondContact O-N 3.31Å; F605-N607 PolarHBondContact O-N 3.08Å
606	S	45.5	Very low	75.5	Confident	109 Å²	109	84.9 Å²	84.9	76%	0.762	45%	0.453	S	S	*	.			trans	-72.5	78.4	167.6	62.4	0	0	0	0	108.9	L604 L608	L604-S606 PolarHBondContact O-N 3.2Å; S606-L608 PolarHBondContact O-N 3.46Å
607	N	34.1	Very low	73.9	Confident	157 Å²	157	90.1 Å²	90.1	84%	0.84	48%	0.482	S	S	*	.			trans	-84.8	79.7	154.9	-90.6	-13.4	0	0	0	107.8	F605	F605-N607 PolarHBondContact O-N 3.08Å
608	L	32.5	Very low	71.9	Confident	168 Å²	168	88.2 Å²	88.2	88%	0.88	48%	0.481	S	S	*	.			trans	-156	74.9	153.2	-94.7	165.7	0	0	0	106.1	S606	S606-L608 PolarHBondContact O-N 3.46Å
609	L	27.4	Very low	69.5	Low	240 Å²	240	96 Å²	96	100%	1.257	52%	0.524	S	S	*	.			trans	-69	0	152.1	-95	163.9	0	0	0	109.1

Retrieved 609 of 609 residues in 724.3 ms (Link to these results)

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