A0A096NVZ6_PAPAN Loading...

Alpha-1,3-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase A

Glycosyltransferase that catalyze the transfer of GlcNAc from UDP-GlcNAc to the GlcNAcbeta1-2Manalpha1-3 arm of the core structure of N-linked glycans through a beta1-4 linkage and participates in the production of tri- and tetra-antennary N-linked sugar chains. Involved in glucose transport by mediating SLC2A2/GLUT2 glycosylation, thereby controlling cell-surface expression of SLC2A2 in pancreatic beta cells.

AlphaFold DB , UniProt , Accession A0A096NVZ6, Species PAPAN (Papio anubis, Olive baboon), Gene MGAT4A, Length 535 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	34.9	Very low	54.6	Low	237 Å²	237	128.8 Å²	128.8	100%	1.167	68%	0.681	S	S	*	*				0	99.3	0	-92.3	159.4	129.4	0	0	107.5
2	R	47.9	Very low	55.2	Low	238 Å²	238	126.8 Å²	126.8	90%	0.898	67%	0.669	S	S	*	*				62	88.8	80.9	-76.1	-173.7	175.6	172.8	-1.2	111
3	L	48.8	Very low	56.2	Low	166 Å²	166	121.2 Å²	121.2	87%	0.869	65%	0.652	S	S	*	*			trans	-177.7	2.1	148.9	-99.5	151.7	0	0	0	115
4	R	52	Low	57	Low	223 Å²	223	123 Å²	123	84%	0.842	65%	0.652	S	S	*	*	S	Bend	trans	-88.1	-13.2	-179.5	-133.8	172.2	84.3	176.3	5.8	116.3
5	N	52.4	Low	57.6	Low	131 Å²	131	121.4 Å²	121.4	70%	0.701	64%	0.642	S	S	*	*	S	Bend	trans	-105	-8.7	-175	-68	3	0	0	0	114.3	A9	N5-A9 WeakPolarHBondContact O-CB 3.45Å; N5-A9 PolarHBondContact O-N 3.23Å
6	G	53.9	Low	58.1	Low	46 Å²	46	118.7 Å²	118.7	47%	0.474	63%	0.632	S	S	.	*	H	α-helix	trans	-74	-35.5	-176.6	0	0	0	0	0	113.7	T10	G6-T10 WeakPolarHBondContact O-CG2 3.35Å; G6-T10 PolarHBondContact O-N 3.1Å; G6-T10 VanDerWaalsContact O-N 3.1Å; G6-T10 PolarHBondContact O-OG1 2.99Å
7	T	57.5	Low	58.5	Low	102 Å²	102	114.6 Å²	114.6	63%	0.626	62%	0.615	S	S	*	*	H	α-helix	trans	-72.3	-32.9	177.8	18.7	0	0	0	0	112.7	T10 A11	T7-T10 WeakPolarHBondContact CA-OG1 3.46Å; T7-T10 PolarHBondContact O-OG1 3.43Å; T7-T10 VanDerWaalsContact O-OG1 3.1Å; T7-A11 WeakPolarHBondContact O-CB 3.39Å; T7-A11 PolarHBondContact O-N 2.76Å; T7-A11 VanDerWaalsContact O-N 3.13Å
8	V	59.7	Low	58.8	Low	87 Å²	87	117.2 Å²	117.2	53%	0.527	62%	0.62	S	S	.	*	H	α-helix	trans	-74.2	-40.6	176.4	-179.1	0	0	0	0	110.9	A11 L12	V8-A11 PolarHBondContact O-N 3.13Å; V8-L12 HydrophobicContact CG1-CD1 3.97Å; V8-L12 WeakPolarHBondContact O-CB 3.47Å; V8-L12 PolarHBondContact O-N 3.1Å
9	A	60.6	Low	58.9	Low	60 Å²	60	116.4 Å²	116.4	50%	0.496	62%	0.615	S	S	.	*	H	α-helix	trans	-66.1	-38.7	177.6	0	0	0	0	0	112.5	N5 A13	N5-A9 WeakPolarHBondContact O-CB 3.45Å; N5-A9 PolarHBondContact O-N 3.23Å; A9-A13 WeakPolarHBondContact O-CB 3.26Å; A9-A13 PolarHBondContact O-N 3.32Å
10	T	66.3	Low	59	Low	77 Å²	77	115.2 Å²	115.2	47%	0.472	61%	0.613	S	S	.	*	H	α-helix	trans	-69.3	-41.1	175.7	42	0	0	0	0	111.9	G6 T7 L12 A13 F14	G6-T10 WeakPolarHBondContact O-CG2 3.35Å; G6-T10 PolarHBondContact O-N 3.1Å; G6-T10 VanDerWaalsContact O-N 3.1Å; G6-T10 PolarHBondContact O-OG1 2.99Å; T7-T10 WeakPolarHBondContact CA-OG1 3.46Å; T7-T10 PolarHBondContact O-OG1 3.43Å; T7-T10 VanDerWaalsContact O-OG1 3.1Å; T10-L12 PolarHBondContact O-N 2.95Å; T10-A13 PolarHBondContact O-N 2.98Å; T10-F14 WeakPolarHBondContact O-CD2 3.39Å; T10-F14 PolarHBondContact O-N 2.78Å
11	A	66.2	Low	59	Low	50 Å²	50	115.4 Å²	115.4	41%	0.413	61%	0.614	S	S	.	*	H	α-helix	trans	-62	-41.8	174.2	0	0	0	0	0	112.6	T7 V8 F14 I15	T7-A11 WeakPolarHBondContact O-CB 3.39Å; T7-A11 PolarHBondContact O-N 2.76Å; T7-A11 VanDerWaalsContact O-N 3.13Å; V8-A11 PolarHBondContact O-N 3.13Å; A11-F14 PolarHBondContact O-N 2.96Å; A11-I15 WeakPolarHBondContact O-CD1 3.2Å; A11-I15 VanDerWaalsContact O-CG1 3.26Å; A11-I15 WeakPolarHBondContact O-CG1 3.4Å; A11-I15 PolarHBondContact O-N 2.87Å
12	L	62.6	Low	60	Low	104 Å²	104	106.9 Å²	106.9	55%	0.545	58%	0.578	S	S	.	*	H	α-helix	trans	-66.1	-38.3	175.6	-83.3	160.6	0	0	0	112.8	V8 T10 T16	V8-L12 HydrophobicContact CG1-CD1 3.97Å; V8-L12 WeakPolarHBondContact O-CB 3.47Å; V8-L12 PolarHBondContact O-N 3.1Å; T10-L12 PolarHBondContact O-N 2.95Å; L12-T16 WeakPolarHBondContact O-CB 3.4Å; L12-T16 VanDerWaalsContact O-CG2 3.25Å; L12-T16 WeakPolarHBondContact O-CG2 3.39Å; L12-T16 PolarHBondContact O-N 3.38Å; L12-T16 PolarHBondContact O-OG1 2.96Å
13	A	67.6	Low	60.3	Low	54 Å²	54	105.1 Å²	105.1	45%	0.446	57%	0.571	S	S	.	*	H	α-helix	trans	-66.1	-39.9	175	0	0	0	0	0	111.6	A9 T10 T16 S17	A9-A13 WeakPolarHBondContact O-CB 3.26Å; A9-A13 PolarHBondContact O-N 3.32Å; T10-A13 PolarHBondContact O-N 2.98Å; A13-T16 WeakPolarHBondContact CA-OG1 3.5Å; A13-T16 PolarHBondContact O-OG1 3.48Å; A13-T16 VanDerWaalsContact O-OG1 3.1Å; A13-S17 VanDerWaalsContact O-CB 3.25Å; A13-S17 WeakPolarHBondContact O-CB 3.25Å; A13-S17 PolarHBondContact O-N 3.16Å; A13-S17 PolarHBondContact O-OG 3.1Å
14	F	67.3	Low	60.7	Low	147 Å²	147	103.3 Å²	103.3	65%	0.645	55%	0.553	S	S	*	*	H	α-helix	trans	-66.5	-45.3	175.6	-94.2	-82.5	0	0	0	112.1	T10 A11 T16 S17 F18	T10-F14 WeakPolarHBondContact O-CD2 3.39Å; T10-F14 PolarHBondContact O-N 2.78Å; A11-F14 PolarHBondContact O-N 2.96Å; F14-T16 PolarHBondContact O-N 2.95Å; F14-S17 WeakPolarHBondContact CA-OG 3.36Å; F14-S17 PolarHBondContact O-N 3.34Å; F14-S17 PolarHBondContact O-OG 2.78Å; F14-F18 WeakPolarHBondContact O-CB 3.21Å; F14-F18 PolarHBondContact O-N 2.95Å
15	I	67	Low	60.8	Low	99 Å²	99	96 Å²	96	51%	0.508	53%	0.534	S	S	.	.	H	α-helix	trans	-64.4	-42.2	178.7	-67.1	165.1	0	0	0	111.4	A11 F18 L19	A11-I15 WeakPolarHBondContact O-CD1 3.2Å; A11-I15 VanDerWaalsContact O-CG1 3.26Å; A11-I15 WeakPolarHBondContact O-CG1 3.4Å; A11-I15 PolarHBondContact O-N 2.87Å; I15-F18 PolarHBondContact O-N 3.39Å; I15-L19 HydrophobicContact CG2-CD1 3.75Å; I15-L19 HydrophobicContact CG2-CG 4.4Å; I15-L19 WeakPolarHBondContact O-CB 3.47Å; I15-L19 VanDerWaalsContact O-CG 3.27Å; I15-L19 WeakPolarHBondContact O-CG 3.25Å; I15-L19 PolarHBondContact O-N 3.4Å
16	T	65.1	Low	60.7	Low	78 Å²	78	93.7 Å²	93.7	48%	0.479	53%	0.525	S	S	.	.	H	α-helix	trans	-69.2	-36.8	177.5	52.8	0	0	0	0	112	L12 A13 F14 T20	L12-T16 WeakPolarHBondContact O-CB 3.4Å; L12-T16 VanDerWaalsContact O-CG2 3.25Å; L12-T16 WeakPolarHBondContact O-CG2 3.39Å; L12-T16 PolarHBondContact O-N 3.38Å; L12-T16 PolarHBondContact O-OG1 2.96Å; A13-T16 WeakPolarHBondContact CA-OG1 3.5Å; A13-T16 PolarHBondContact O-OG1 3.48Å; A13-T16 VanDerWaalsContact O-OG1 3.1Å; F14-T16 PolarHBondContact O-N 2.95Å; T16-T20 WeakPolarHBondContact O-CB 3.44Å; T16-T20 WeakPolarHBondContact O-CG2 3.27Å; T16-T20 PolarHBondContact O-N 2.92Å; T16-T20 PolarHBondContact O-OG1 2.81Å
17	S	64.1	Low	60.7	Low	50 Å²	50	98.2 Å²	98.2	35%	0.35	53%	0.527	S	S	.	.	H	α-helix	trans	-65.8	-39.4	173.8	72.7	0	0	0	0	112.3	A13 F14 T20 L21	A13-S17 VanDerWaalsContact O-CB 3.25Å; A13-S17 WeakPolarHBondContact O-CB 3.25Å; A13-S17 PolarHBondContact O-N 3.16Å; A13-S17 PolarHBondContact O-OG 3.1Å; F14-S17 WeakPolarHBondContact CA-OG 3.36Å; F14-S17 PolarHBondContact O-N 3.34Å; F14-S17 PolarHBondContact O-OG 2.78Å; S17-T20 WeakPolarHBondContact CA-OG1 3.49Å; S17-T20 PolarHBondContact O-N 2.92Å; S17-T20 PolarHBondContact O-OG1 3.49Å; S17-L21 WeakPolarHBondContact O-CB 3.3Å; S17-L21 PolarHBondContact O-N 2.9Å
18	F	64.2	Low	60.4	Low	161 Å²	161	96.8 Å²	96.8	71%	0.706	51%	0.514	S	S	*	.	H	α-helix	trans	-71.5	-39.3	178.9	-136.7	-92	0	0	0	112.4	F14 I15 S22	F14-F18 WeakPolarHBondContact O-CB 3.21Å; F14-F18 PolarHBondContact O-N 2.95Å; I15-F18 PolarHBondContact O-N 3.39Å; F18-S22 WeakPolarHBondContact O-CB 3.37Å; F18-S22 PolarHBondContact O-N 3.49Å
19	L	60.1	Low	59.6	Low	101 Å²	101	97.1 Å²	97.1	53%	0.529	51%	0.513	S	S	.	.	H	α-helix	trans	-67.7	-38	174.7	-71.9	169.1	0	0	0	111.9	I15 S22 W23	I15-L19 HydrophobicContact CG2-CD1 3.75Å; I15-L19 HydrophobicContact CG2-CG 4.4Å; I15-L19 WeakPolarHBondContact O-CB 3.47Å; I15-L19 VanDerWaalsContact O-CG 3.27Å; I15-L19 WeakPolarHBondContact O-CG 3.25Å; I15-L19 PolarHBondContact O-N 3.4Å; L19-S22 PolarHBondContact O-N 2.94Å; L19-W23 WeakPolarHBondContact O-CB 3.27Å; L19-W23 PolarHBondContact O-N 2.87Å
20	T	62.7	Low	59	Low	92 Å²	92	96 Å²	96	56%	0.564	51%	0.507	S	S	*	.	H	α-helix	trans	-70.8	-38.4	176.3	51.2	0	0	0	0	112.1	T16 S17 Y24	T16-T20 WeakPolarHBondContact O-CB 3.44Å; T16-T20 WeakPolarHBondContact O-CG2 3.27Å; T16-T20 PolarHBondContact O-N 2.92Å; T16-T20 PolarHBondContact O-OG1 2.81Å; S17-T20 WeakPolarHBondContact CA-OG1 3.49Å; S17-T20 PolarHBondContact O-N 2.92Å; S17-T20 PolarHBondContact O-OG1 3.49Å; T20-Y24 WeakPolarHBondContact O-CB 3.44Å; T20-Y24 PolarHBondContact O-N 2.82Å
21	L	59	Low	58.1	Low	121 Å²	121	96.9 Å²	96.9	63%	0.634	50%	0.504	S	S	*	.	H	α-helix	trans	-66.5	-41.9	172.1	-124.3	98.4	0	0	0	112	S17 Y24 T25	S17-L21 WeakPolarHBondContact O-CB 3.3Å; S17-L21 PolarHBondContact O-N 2.9Å; L21-Y24 PolarHBondContact O-N 2.95Å; L21-T25 WeakPolarHBondContact O-CB 3.43Å; L21-T25 VanDerWaalsContact O-CG2 3.3Å; L21-T25 WeakPolarHBondContact O-CG2 3.46Å; L21-T25 PolarHBondContact O-N 2.94Å; L21-T25 PolarHBondContact O-OG1 3.49Å
22	S	55.7	Low	57.2	Low	58 Å²	58	100.3 Å²	100.3	41%	0.406	51%	0.512	S	S	.	.	H	α-helix	trans	-62.9	-42.3	176.4	-179.6	0	0	0	0	111.3	F18 L19 T25 T26	F18-S22 WeakPolarHBondContact O-CB 3.37Å; F18-S22 PolarHBondContact O-N 3.49Å; L19-S22 PolarHBondContact O-N 2.94Å; S22-T25 WeakPolarHBondContact CA-OG1 3.43Å; S22-T25 PolarHBondContact O-OG1 2.94Å; S22-T26 WeakPolarHBondContact O-CG2 3.39Å; S22-T26 PolarHBondContact O-N 2.87Å; S22-T26 PolarHBondContact O-OG1 3.46Å
23	W	54.6	Low	56.5	Low	200 Å²	200	101 Å²	101	76%	0.758	51%	0.51	S	S	*	.	H	α-helix	trans	-69	-41.7	175.9	-89.2	17.6	0	0	0	112.6	L19 T25 T26 W27	L19-W23 WeakPolarHBondContact O-CB 3.27Å; L19-W23 PolarHBondContact O-N 2.87Å; W23-T25 PolarHBondContact O-N 3.02Å; W23-T26 VanDerWaalsContact CA-OG1 3.27Å; W23-T26 WeakPolarHBondContact CA-OG1 3.38Å; W23-T26 PolarHBondContact O-N 2.85Å; W23-T26 PolarHBondContact O-OG1 3.39Å; W23-W27 VanDerWaalsContact O-CB 3.22Å; W23-W27 WeakPolarHBondContact O-CB 3.33Å; W23-W27 PolarHBondContact O-N 2.84Å
24	Y	55.8	Low	55.5	Low	128 Å²	128	103.6 Å²	103.6	50%	0.502	52%	0.516	S	S	.	.	H	α-helix	trans	-62.1	-42.1	177.2	-175.5	-98.6	0	0	0	112.1	T20 L21 W27 Q28	T20-Y24 WeakPolarHBondContact O-CB 3.44Å; T20-Y24 PolarHBondContact O-N 2.82Å; L21-Y24 PolarHBondContact O-N 2.95Å; Y24-W27 HydrophobicContact CD2-CE3 4.26Å; Y24-W27 HydrophobicContact CD2-CZ3 4.5Å; Y24-W27 HydrophobicContact CE2-CE3 4.39Å; Y24-W27 HydrophobicContact CE2-CZ3 4.3Å; Y24-W27 PolarHBondContact O-N 3.34Å; Y24-Q28 HydrophobicContact CD1-CG 4.23Å; Y24-Q28 HydrophobicContact CE1-CG 3.84Å; Y24-Q28 WeakPolarHBondContact O-CB 3.18Å; Y24-Q28 WeakPolarHBondContact O-CG 3.32Å; Y24-Q28 PolarHBondContact O-N 3.48Å; Y24-Q28 PolarHBondContact OH-NE2 3.4Å; Y24-Q28 VanDerWaalsContact OH-NE2 3.08Å
25	T	55.2	Low	54.9	Low	71 Å²	71	100.1 Å²	100.1	44%	0.436	50%	0.504	S	S	.	.	H	α-helix	trans	-69	-40.4	176.1	50.5	0	0	0	0	112.1	L21 S22 W23 W27 N29	L21-T25 WeakPolarHBondContact O-CB 3.43Å; L21-T25 VanDerWaalsContact O-CG2 3.3Å; L21-T25 WeakPolarHBondContact O-CG2 3.46Å; L21-T25 PolarHBondContact O-N 2.94Å; L21-T25 PolarHBondContact O-OG1 3.49Å; S22-T25 WeakPolarHBondContact CA-OG1 3.43Å; S22-T25 PolarHBondContact O-OG1 2.94Å; W23-T25 PolarHBondContact O-N 3.02Å; T25-W27 VanDerWaalsContact C-N 3.33Å; T25-W27 PolarHBondContact O-N 2.96Å; T25-N29 WeakPolarHBondContact O-CB 3.22Å; T25-N29 PolarHBondContact O-N 2.87Å
26	T	50.3	Low	54.2	Low	82 Å²	82	97.4 Å²	97.4	50%	0.503	50%	0.496	S	S	.	.	H	α-helix	trans	-66.4	-32.2	172.8	48.9	0	0	0	0	113.2	S22 W23 G30	S22-T26 WeakPolarHBondContact O-CG2 3.39Å; S22-T26 PolarHBondContact O-N 2.87Å; S22-T26 PolarHBondContact O-OG1 3.46Å; W23-T26 VanDerWaalsContact CA-OG1 3.27Å; W23-T26 WeakPolarHBondContact CA-OG1 3.38Å; W23-T26 PolarHBondContact O-N 2.85Å; W23-T26 PolarHBondContact O-OG1 3.39Å; T26-G30 PolarHBondContact O-N 2.88Å
27	W	54	Low	53.5	Low	140 Å²	140	100.1 Å²	100.1	53%	0.53	50%	0.498	S	S	.	.	H	α-helix	trans	-77.1	-40	178.4	-179.7	61.2	0	0	0	112.7	W23 Y24 T25 G30 K31	W23-W27 VanDerWaalsContact O-CB 3.22Å; W23-W27 WeakPolarHBondContact O-CB 3.33Å; W23-W27 PolarHBondContact O-N 2.84Å; Y24-W27 HydrophobicContact CD2-CE3 4.26Å; Y24-W27 HydrophobicContact CD2-CZ3 4.5Å; Y24-W27 HydrophobicContact CE2-CE3 4.39Å; Y24-W27 HydrophobicContact CE2-CZ3 4.3Å; Y24-W27 PolarHBondContact O-N 3.34Å; T25-W27 VanDerWaalsContact C-N 3.33Å; T25-W27 PolarHBondContact O-N 2.96Å; W27-G30 PolarHBondContact O-N 3.03Å; W27-K31 WeakPolarHBondContact O-CB 3.19Å; W27-K31 PolarHBondContact O-N 2.9Å
28	Q	49.6	Very low	52.8	Low	73 Å²	73	103.7 Å²	103.7	34%	0.341	51%	0.509	S	S	.	.	H	α-helix	trans	-59.7	-49	169.1	-80.1	-81.7	8.1	0	0	110.5	Y24 G30 K31 E32	Y24-Q28 HydrophobicContact CD1-CG 4.23Å; Y24-Q28 HydrophobicContact CE1-CG 3.84Å; Y24-Q28 WeakPolarHBondContact O-CB 3.18Å; Y24-Q28 WeakPolarHBondContact O-CG 3.32Å; Y24-Q28 PolarHBondContact O-N 3.48Å; Y24-Q28 PolarHBondContact OH-NE2 3.4Å; Y24-Q28 VanDerWaalsContact OH-NE2 3.08Å; Q28-G30 VanDerWaalsContact C-N 3.27Å; Q28-G30 PolarHBondContact O-N 3.25Å; Q28-K31 PolarHBondContact O-N 3.37Å; Q28-E32 PolarHBondContact O-N 2.88Å
29	N	44.6	Very low	52.4	Low	94 Å²	94	104.9 Å²	104.9	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-59.9	-36.6	173.6	-96.4	-15.1	0	0	0	112.5	T25 K33	T25-N29 WeakPolarHBondContact O-CB 3.22Å; T25-N29 PolarHBondContact O-N 2.87Å; N29-K33 WeakPolarHBondContact O-CB 3.14Å; N29-K33 WeakPolarHBondContact O-CG 2.93Å; N29-K33 PolarHBondContact O-N 3.08Å
30	G	46.8	Very low	52.2	Low	37 Å²	37	105.9 Å²	105.9	38%	0.381	51%	0.511	S	S	.	.	H	α-helix	trans	-67.9	-38.7	176.5	0	0	0	0	0	113	T26 W27 Q28 L34	T26-G30 PolarHBondContact O-N 2.88Å; W27-G30 PolarHBondContact O-N 3.03Å; Q28-G30 VanDerWaalsContact C-N 3.27Å; Q28-G30 PolarHBondContact O-N 3.25Å; G30-L34 WeakPolarHBondContact O-CB 3.43Å; G30-L34 PolarHBondContact O-N 2.86Å
31	K	47.8	Very low	51.9	Low	95 Å²	95	108.2 Å²	108.2	41%	0.413	51%	0.514	S	S	.	.	H	α-helix	trans	-74.9	-41.5	179	-163.1	-171.2	-178.4	-155.6	0	112.1	W27 Q28 K33 L34 I35	W27-K31 WeakPolarHBondContact O-CB 3.19Å; W27-K31 PolarHBondContact O-N 2.9Å; Q28-K31 PolarHBondContact O-N 3.37Å; K31-K33 VanDerWaalsContact C-N 3.33Å; K31-L34 PolarHBondContact O-N 3.25Å; K31-I35 HydrophobicContact CG-CD1 4.43Å; K31-I35 WeakPolarHBondContact O-CG1 3.45Å; K31-I35 PolarHBondContact O-N 2.88Å
32	E	48.2	Very low	51.5	Low	121 Å²	121	107.7 Å²	107.7	57%	0.565	51%	0.511	S	S	*	.	H	α-helix	trans	-63	-41.5	170.8	-76.5	-175	160.2	0	0	110.8	Q28 L34 I35 A36	Q28-E32 PolarHBondContact O-N 2.88Å; E32-L34 PolarHBondContact O-N 3.24Å; E32-I35 PolarHBondContact O-N 3.32Å; E32-A36 WeakPolarHBondContact O-CB 3.36Å; E32-A36 PolarHBondContact O-N 3.18Å
33	K	47.6	Very low	51.6	Low	118 Å²	118	106.9 Å²	106.9	51%	0.513	51%	0.508	S	S	.	.	H	α-helix	trans	-60.9	-41.1	170.9	-83.6	179	176	-176.7	0	112.6	N29 K31 A36 Y37	N29-K33 WeakPolarHBondContact O-CB 3.14Å; N29-K33 WeakPolarHBondContact O-CG 2.93Å; N29-K33 PolarHBondContact O-N 3.08Å; K31-K33 VanDerWaalsContact C-N 3.33Å; K33-A36 CarbonylContact O-C 3.53Å; K33-A36 PolarHBondContact O-N 3.43Å; K33-Y37 HydrophobicContact CB-CD2 4.16Å; K33-Y37 HydrophobicContact CB-CE2 3.87Å; K33-Y37 HydrophobicContact CG-CE2 4.44Å; K33-Y37 VanDerWaalsContact O-CB 3.26Å; K33-Y37 WeakPolarHBondContact O-CB 3.38Å; K33-Y37 WeakPolarHBondContact O-CD2 3.15Å; K33-Y37 PolarHBondContact O-N 3.48Å
34	L	47	Very low	51.4	Low	110 Å²	110	102.4 Å²	102.4	58%	0.576	50%	0.498	S	S	*	.	H	α-helix	trans	-67.2	-42	-179.6	-159.8	84.7	0	0	0	112.3	G30 K31 E32 Y37 Q38	G30-L34 WeakPolarHBondContact O-CB 3.43Å; G30-L34 PolarHBondContact O-N 2.86Å; K31-L34 PolarHBondContact O-N 3.25Å; E32-L34 PolarHBondContact O-N 3.24Å; L34-Y37 PolarHBondContact O-N 2.98Å; L34-Q38 PolarHBondContact O-N 3.18Å
35	I	54.7	Low	51.1	Low	74 Å²	74	100.9 Å²	100.9	38%	0.379	49%	0.494	S	S	.	.	H	α-helix	trans	-69.2	-39.3	175.7	-65.8	168.1	0	0	0	110.3	K31 E32 Y37 Q38 R39	K31-I35 HydrophobicContact CG-CD1 4.43Å; K31-I35 WeakPolarHBondContact O-CG1 3.45Å; K31-I35 PolarHBondContact O-N 2.88Å; E32-I35 PolarHBondContact O-N 3.32Å; I35-Y37 VanDerWaalsContact C-N 3.34Å; I35-Q38 PolarHBondContact O-N 3.21Å; I35-R39 WeakPolarHBondContact O-CB 3.09Å; I35-R39 PolarHBondContact O-N 3.13Å
36	A	51.4	Low	51	Low	42 Å²	42	100.7 Å²	100.7	35%	0.347	49%	0.489	S	S	.	.	H	α-helix	trans	-62.4	-42.3	172	0	0	0	0	0	110.8	E32 K33 R39 E40	E32-A36 WeakPolarHBondContact O-CB 3.36Å; E32-A36 PolarHBondContact O-N 3.18Å; K33-A36 CarbonylContact O-C 3.53Å; K33-A36 PolarHBondContact O-N 3.43Å; A36-R39 CarbonylContact O-C 3.6Å; A36-R39 PolarHBondContact O-N 2.84Å; A36-E40 VanDerWaalsContact O-CB 3.23Å; A36-E40 WeakPolarHBondContact O-CB 3.39Å; A36-E40 VanDerWaalsContact O-CG 3.29Å; A36-E40 WeakPolarHBondContact O-CG 3.48Å; A36-E40 PolarHBondContact O-N 2.75Å
37	Y	49.6	Very low	51.3	Low	135 Å²	135	105.1 Å²	105.1	53%	0.529	50%	0.496	S	S	.	.	H	α-helix	trans	-67.6	-37.2	176.1	-72.8	-45.7	0	0	0	112.2	K33 L34 I35 F41	K33-Y37 HydrophobicContact CB-CD2 4.16Å; K33-Y37 HydrophobicContact CB-CE2 3.87Å; K33-Y37 HydrophobicContact CG-CE2 4.44Å; K33-Y37 VanDerWaalsContact O-CB 3.26Å; K33-Y37 WeakPolarHBondContact O-CB 3.38Å; K33-Y37 WeakPolarHBondContact O-CD2 3.15Å; K33-Y37 PolarHBondContact O-N 3.48Å; L34-Y37 PolarHBondContact O-N 2.98Å; I35-Y37 VanDerWaalsContact C-N 3.34Å; Y37-F41 WeakPolarHBondContact O-CA 3.42Å; Y37-F41 WeakPolarHBondContact O-CB 3.38Å; Y37-F41 PolarHBondContact O-N 3.5Å
38	Q	49.7	Very low	50.9	Low	124 Å²	124	103.4 Å²	103.4	58%	0.579	50%	0.496	S	S	*	.	H	α-helix	trans	-65.2	-42.7	172.5	-87.1	179.5	-36.7	0	0	111.6	L34 I35 F41 L42	L34-Q38 PolarHBondContact O-N 3.18Å; I35-Q38 PolarHBondContact O-N 3.21Å; Q38-F41 PolarHBondContact O-N 2.71Å; Q38-L42 WeakPolarHBondContact O-CB 3.48Å; Q38-L42 WeakPolarHBondContact O-CD1 3.09Å; Q38-L42 WeakPolarHBondContact O-CG 3.47Å; Q38-L42 PolarHBondContact O-N 2.73Å
39	R	55.5	Low	51.1	Low	187 Å²	187	102.1 Å²	102.1	71%	0.706	49%	0.489	S	S	*	.	H	α-helix	trans	-67.5	-41.1	174.9	-79	-176.8	-179.5	169	0.2	112.4	I35 A36 F41 L42 A43	I35-R39 WeakPolarHBondContact O-CB 3.09Å; I35-R39 PolarHBondContact O-N 3.13Å; A36-R39 CarbonylContact O-C 3.6Å; A36-R39 PolarHBondContact O-N 2.84Å; R39-F41 VanDerWaalsContact C-N 3.34Å; R39-L42 PolarHBondContact O-N 3.49Å; R39-A43 WeakPolarHBondContact O-CB 3.46Å; R39-A43 PolarHBondContact O-N 3.22Å
40	E	56.8	Low	51.8	Low	121 Å²	121	101 Å²	101	57%	0.565	48%	0.482	S	S	*	.	H	α-helix	trans	-67	-37.5	175.3	-79.8	-176.3	169.7	0	0	110.8	A36 A43 L44	A36-E40 VanDerWaalsContact O-CB 3.23Å; A36-E40 WeakPolarHBondContact O-CB 3.39Å; A36-E40 VanDerWaalsContact O-CG 3.29Å; A36-E40 WeakPolarHBondContact O-CG 3.48Å; A36-E40 PolarHBondContact O-N 2.75Å; E40-A43 CarbonylContact O-C 3.59Å; E40-A43 PolarHBondContact O-N 3.48Å; E40-L44 WeakPolarHBondContact O-CA 3.25Å; E40-L44 WeakPolarHBondContact O-CB 3.42Å; E40-L44 PolarHBondContact O-N 3.48Å
41	F	55.4	Low	51.8	Low	141 Å²	141	101.2 Å²	101.2	62%	0.618	48%	0.48	S	S	*	.	H	α-helix	trans	-68.9	-42.1	175.6	-172.8	-97.8	0	0	0	111.4	Y37 Q38 R39 L44 K45	Y37-F41 WeakPolarHBondContact O-CA 3.42Å; Y37-F41 WeakPolarHBondContact O-CB 3.38Å; Y37-F41 PolarHBondContact O-N 3.5Å; Q38-F41 PolarHBondContact O-N 2.71Å; R39-F41 VanDerWaalsContact C-N 3.34Å; F41-L44 PolarHBondContact O-N 2.82Å; F41-K45 VanDerWaalsContact O-CB 3.25Å; F41-K45 WeakPolarHBondContact O-CB 3.43Å; F41-K45 PolarHBondContact O-N 3.33Å
42	L	50.2	Low	51.8	Low	110 Å²	110	102.3 Å²	102.3	58%	0.576	49%	0.486	S	S	*	.	H	α-helix	trans	-61	-45.6	170.8	-83.9	158.2	0	0	0	111.4	Q38 R39 L44 K45 E46	Q38-L42 WeakPolarHBondContact O-CB 3.48Å; Q38-L42 WeakPolarHBondContact O-CD1 3.09Å; Q38-L42 WeakPolarHBondContact O-CG 3.47Å; Q38-L42 PolarHBondContact O-N 2.73Å; R39-L42 PolarHBondContact O-N 3.49Å; L42-L44 VanDerWaalsContact C-N 3.34Å; L42-L44 PolarHBondContact O-N 2.73Å; L42-K45 PolarHBondContact O-N 2.7Å; L42-E46 WeakPolarHBondContact O-CB 3.29Å; L42-E46 PolarHBondContact O-N 2.77Å
43	A	58.9	Low	52	Low	42 Å²	42	98.3 Å²	98.3	35%	0.347	47%	0.468	S	S	.	.	H	α-helix	trans	-67.4	-34.5	176.9	0	0	0	0	0	112.4	R39 E40 R47	R39-A43 WeakPolarHBondContact O-CB 3.46Å; R39-A43 PolarHBondContact O-N 3.22Å; E40-A43 CarbonylContact O-C 3.59Å; E40-A43 PolarHBondContact O-N 3.48Å; A43-R47 WeakPolarHBondContact O-CB 3.02Å; A43-R47 WeakPolarHBondContact O-CG 3.26Å; A43-R47 PolarHBondContact O-N 2.7Å
44	L	49.4	Very low	52.4	Low	106 Å²	106	100.1 Å²	100.1	56%	0.555	47%	0.471	S	S	*	.	H	α-helix	trans	-71.5	-40.5	176.1	-170.3	76.5	0	0	0	110.4	E40 F41 L42 R47 L48	E40-L44 WeakPolarHBondContact O-CA 3.25Å; E40-L44 WeakPolarHBondContact O-CB 3.42Å; E40-L44 PolarHBondContact O-N 3.48Å; F41-L44 PolarHBondContact O-N 2.82Å; L42-L44 VanDerWaalsContact C-N 3.34Å; L42-L44 PolarHBondContact O-N 2.73Å; L44-R47 PolarHBondContact O-N 2.84Å; L44-L48 VanDerWaalsContact O-CB 3.28Å; L44-L48 WeakPolarHBondContact O-CB 3.42Å; L44-L48 PolarHBondContact O-N 3.4Å
45	K	50.2	Low	52.5	Low	95 Å²	95	100.5 Å²	100.5	41%	0.413	47%	0.473	S	S	.	.	H	α-helix	trans	-61.6	-45.2	173.1	-171	177.7	179.1	-178	0	110.3	F41 L42 L48 R49 S281	F41-K45 VanDerWaalsContact O-CB 3.25Å; F41-K45 WeakPolarHBondContact O-CB 3.43Å; F41-K45 PolarHBondContact O-N 3.33Å; L42-K45 PolarHBondContact O-N 2.7Å; K45-L48 PolarHBondContact O-N 3.02Å; K45-R49 WeakPolarHBondContact O-CB 3.41Å; K45-R49 PolarHBondContact O-N 3.37Å; K45-S281 PolarHBondContact NZ-O 3.15Å
46	E	53.8	Low	52.3	Low	68 Å²	68	99.8 Å²	99.8	32%	0.318	47%	0.474	S	S	.	.	H	α-helix	trans	-63.3	-43.4	175	-169.9	55.7	-147.6	0	0	111.8	L42 L48 R49 I50 I254	L42-E46 WeakPolarHBondContact O-CB 3.29Å; L42-E46 PolarHBondContact O-N 2.77Å; E46-L48 PolarHBondContact O-N 3.19Å; E46-R49 WeakPolarHBondContact O-CB 3.11Å; E46-R49 PolarHBondContact O-N 2.71Å; E46-I50 HydrophobicContact CG-CD1 4.14Å; E46-I50 VanDerWaalsContact O-CG1 3.25Å; E46-I50 WeakPolarHBondContact O-CG1 3.23Å; E46-I50 PolarHBondContact O-N 3.32Å; E46-I254 VanDerWaalsContact OE1-CD1 3.27Å; E46-I254 WeakPolarHBondContact OE1-CD1 3.46Å
47	R	55.9	Low	52.4	Low	175 Å²	175	100.1 Å²	100.1	66%	0.66	47%	0.469	S	S	*	.	H	α-helix	trans	-63.5	-39.7	174.8	-76.2	171.8	-172.3	-178	4.6	112.8	A43 L44 R49 I50 A51	A43-R47 WeakPolarHBondContact O-CB 3.02Å; A43-R47 WeakPolarHBondContact O-CG 3.26Å; A43-R47 PolarHBondContact O-N 2.7Å; L44-R47 PolarHBondContact O-N 2.84Å; R47-R49 VanDerWaalsContact C-N 3.33Å; R47-I50 PolarHBondContact O-N 3.4Å; R47-A51 WeakPolarHBondContact O-CB 3.25Å; R47-A51 PolarHBondContact O-N 3.21Å
48	L	46	Very low	52.5	Low	103 Å²	103	102.1 Å²	102.1	54%	0.539	48%	0.475	S	S	.	.	H	α-helix	trans	-63.7	-43.7	175.9	-176.8	66.8	0	0	0	109.7	L44 K45 E46 I50 A51 E52	L44-L48 VanDerWaalsContact O-CB 3.28Å; L44-L48 WeakPolarHBondContact O-CB 3.42Å; L44-L48 PolarHBondContact O-N 3.4Å; K45-L48 PolarHBondContact O-N 3.02Å; E46-L48 PolarHBondContact O-N 3.19Å; L48-I50 PolarHBondContact O-N 3.39Å; L48-A51 CarbonylContact O-C 3.42Å; L48-A51 WeakPolarHBondContact O-CA 3.3Å; L48-A51 WeakPolarHBondContact O-CB 3.38Å; L48-A51 PolarHBondContact O-N 3.35Å; L48-E52 WeakPolarHBondContact O-CG 3.49Å; L48-E52 PolarHBondContact O-N 3.22Å
49	R	53.8	Low	52.4	Low	46 Å²	46	99.2 Å²	99.2	17%	0.174	47%	0.469	C	S	.	.	H	α-helix	trans	-62	-43.5	176.1	-149.5	-173.2	106.6	99.1	23.9	112.3	K45 E46 R47 A51 E52 H53 I254	K45-R49 WeakPolarHBondContact O-CB 3.41Å; K45-R49 PolarHBondContact O-N 3.37Å; E46-R49 WeakPolarHBondContact O-CB 3.11Å; E46-R49 PolarHBondContact O-N 2.71Å; R47-R49 VanDerWaalsContact C-N 3.33Å; R49-A51 VanDerWaalsContact C-N 3.29Å; R49-A51 PolarHBondContact O-N 2.91Å; R49-E52 PolarHBondContact O-N 2.93Å; R49-H53 WeakPolarHBondContact O-CB 3.18Å; R49-H53 PolarHBondContact O-N 2.86Å; R49-I254 PolarHBondContact NH1-O 3.37Å; R49-I254 VanDerWaalsContact NH2-C 3.28Å; R49-I254 VanDerWaalsContact NH2-CG2 3.3Å; R49-I254 PolarHBondContact NH2-O 2.82Å
50	I	59.1	Low	52.2	Low	72 Å²	72	93.7 Å²	93.7	37%	0.369	46%	0.459	S	S	.	.	H	α-helix	trans	-62.7	-37.1	172.3	-67.9	164.3	0	0	0	110.7	E46 R47 L48 R54	E46-I50 HydrophobicContact CG-CD1 4.14Å; E46-I50 VanDerWaalsContact O-CG1 3.25Å; E46-I50 WeakPolarHBondContact O-CG1 3.23Å; E46-I50 PolarHBondContact O-N 3.32Å; R47-I50 PolarHBondContact O-N 3.4Å; L48-I50 PolarHBondContact O-N 3.39Å; I50-R54 WeakPolarHBondContact O-CG 3.45Å; I50-R54 PolarHBondContact O-N 2.95Å
51	A	47.5	Very low	52.1	Low	40 Å²	40	93.2 Å²	93.2	33%	0.331	46%	0.457	S	S	.	.	H	α-helix	trans	-69.2	-43.1	177.4	0	0	0	0	0	112.2	R47 L48 R49 H53 R54 I55	R47-A51 WeakPolarHBondContact O-CB 3.25Å; R47-A51 PolarHBondContact O-N 3.21Å; L48-A51 CarbonylContact O-C 3.42Å; L48-A51 WeakPolarHBondContact O-CA 3.3Å; L48-A51 WeakPolarHBondContact O-CB 3.38Å; L48-A51 PolarHBondContact O-N 3.35Å; R49-A51 VanDerWaalsContact C-N 3.29Å; R49-A51 PolarHBondContact O-N 2.91Å; A51-H53 VanDerWaalsContact C-N 3.32Å; A51-H53 PolarHBondContact O-N 3.07Å; A51-R54 PolarHBondContact O-N 3.2Å; A51-I55 VanDerWaalsContact O-CG1 3.3Å; A51-I55 WeakPolarHBondContact O-CG1 3.35Å; A51-I55 PolarHBondContact O-N 3.19Å
52	E	47.7	Very low	52.1	Low	118 Å²	118	91.7 Å²	91.7	55%	0.551	45%	0.454	S	S	*	.	H	α-helix	trans	-61	-42	173	-73.7	176	164.3	0	0	111.4	L48 R49 R54 I55 S56	L48-E52 WeakPolarHBondContact O-CG 3.49Å; L48-E52 PolarHBondContact O-N 3.22Å; R49-E52 PolarHBondContact O-N 2.93Å; E52-R54 PolarHBondContact O-N 2.99Å; E52-I55 PolarHBondContact O-N 3.07Å; E52-S56 PolarHBondContact O-N 3.34Å
53	H	51.9	Low	52.2	Low	38 Å²	38	90.1 Å²	90.1	18%	0.176	45%	0.447	C	S	.	.	H	α-helix	trans	-57.8	-49.3	172.8	-172.8	68.2	0	0	0	111.4	R49 A51 I55 S56 Q57	R49-H53 WeakPolarHBondContact O-CB 3.18Å; R49-H53 PolarHBondContact O-N 2.86Å; A51-H53 VanDerWaalsContact C-N 3.32Å; A51-H53 PolarHBondContact O-N 3.07Å; H53-I55 VanDerWaalsContact C-N 3.28Å; H53-I55 PolarHBondContact O-N 3.22Å; H53-S56 WeakPolarHBondContact O-CB 3.31Å; H53-S56 PolarHBondContact O-N 2.83Å; H53-S56 VanDerWaalsContact O-N 3.16Å; H53-Q57 WeakPolarHBondContact O-CG 3.21Å; H53-Q57 PolarHBondContact O-N 2.86Å
54	R	56.3	Low	52.1	Low	156 Å²	156	91.2 Å²	91.2	59%	0.589	45%	0.449	S	S	*	.	H	α-helix	trans	-61.3	-33.9	176	-74.6	173.8	180	-178.8	0.9	113.3	I50 A51 E52 R58	I50-R54 WeakPolarHBondContact O-CG 3.45Å; I50-R54 PolarHBondContact O-N 2.95Å; A51-R54 PolarHBondContact O-N 3.2Å; E52-R54 PolarHBondContact O-N 2.99Å; R54-R58 WeakPolarHBondContact O-CG 3.45Å; R54-R58 PolarHBondContact O-N 3.15Å
55	I	49.6	Very low	52.5	Low	118 Å²	118	89.7 Å²	89.7	61%	0.605	44%	0.441	S	S	*	.	H	α-helix	trans	-67.6	-44.3	175.9	-72.4	166.6	0	0	0	110.1	A51 E52 H53 R58 S59	A51-I55 VanDerWaalsContact O-CG1 3.3Å; A51-I55 WeakPolarHBondContact O-CG1 3.35Å; A51-I55 PolarHBondContact O-N 3.19Å; E52-I55 PolarHBondContact O-N 3.07Å; H53-I55 VanDerWaalsContact C-N 3.28Å; H53-I55 PolarHBondContact O-N 3.22Å; I55-R58 PolarHBondContact O-N 2.88Å; I55-S59 PolarHBondContact O-N 2.9Å
56	S	48.9	Very low	52.9	Low	59 Å²	59	87.4 Å²	87.4	41%	0.413	44%	0.435	S	S	.	.	H	α-helix	trans	-61	-44.4	175.2	-168.3	0	0	0	0	111.8	E52 H53 R58 S59 S60	E52-S56 PolarHBondContact O-N 3.34Å; H53-S56 WeakPolarHBondContact O-CB 3.31Å; H53-S56 PolarHBondContact O-N 2.83Å; H53-S56 VanDerWaalsContact O-N 3.16Å; S56-R58 PolarHBondContact O-N 2.79Å; S56-S59 WeakPolarHBondContact O-CB 3.28Å; S56-S59 PolarHBondContact O-N 3.33Å; S56-S60 PolarHBondContact O-N 3.45Å
57	Q	54.8	Low	53.1	Low	49 Å²	49	87.8 Å²	87.8	23%	0.229	44%	0.436	C	S	.	.	H	α-helix	trans	-55.5	-52.2	174.3	-71.2	-176.2	-48.7	0	0	112	H53 S59 S60 E61 E251	H53-Q57 WeakPolarHBondContact O-CG 3.21Å; H53-Q57 PolarHBondContact O-N 2.86Å; Q57-S59 VanDerWaalsContact C-N 3.26Å; Q57-S59 PolarHBondContact O-N 2.81Å; Q57-S60 PolarHBondContact O-N 2.96Å; Q57-S60 VanDerWaalsContact O-N 3.15Å; Q57-E61 WeakPolarHBondContact O-CG 3.27Å; Q57-E61 PolarHBondContact O-N 2.8Å; Q57-E251 WeakPolarHBondContact CG-OE1 3.45Å; Q57-E251 PolarHBondContact NE2-OE1 2.88Å
58	R	51	Low	53.2	Low	176 Å²	176	84.9 Å²	84.9	66%	0.664	43%	0.43	S	S	*	.	H	α-helix	trans	-60.4	-35.6	179.3	-75.2	-178.3	-175.1	-166.1	1.8	112.7	R54 I55 S56 L62	R54-R58 WeakPolarHBondContact O-CG 3.45Å; R54-R58 PolarHBondContact O-N 3.15Å; I55-R58 PolarHBondContact O-N 2.88Å; S56-R58 PolarHBondContact O-N 2.79Å; R58-L62 VanDerWaalsContact O-CB 3.26Å; R58-L62 WeakPolarHBondContact O-CB 3.48Å; R58-L62 WeakPolarHBondContact O-CD1 3.4Å; R58-L62 WeakPolarHBondContact O-CG 3.36Å; R58-L62 PolarHBondContact O-N 2.82Å
59	S	48.2	Very low	53.8	Low	63 Å²	63	84 Å²	84	44%	0.441	42%	0.422	S	S	.	.	H	α-helix	trans	-65.4	-44.7	176.4	-173.9	0	0	0	0	111.8	I55 S56 Q57 L62 N63	I55-S59 PolarHBondContact O-N 2.9Å; S56-S59 WeakPolarHBondContact O-CB 3.28Å; S56-S59 PolarHBondContact O-N 3.33Å; Q57-S59 VanDerWaalsContact C-N 3.26Å; Q57-S59 PolarHBondContact O-N 2.81Å; S59-L62 PolarHBondContact O-N 3Å; S59-N63 PolarHBondContact O-N 3.26Å; S59-N63 PolarHBondContact O-ND2 3.25Å
60	S	50.6	Low	54	Low	72 Å²	72	84.6 Å²	84.6	50%	0.503	43%	0.426	S	S	.	.	H	α-helix	trans	-65.3	-45.2	176.8	-175.8	0	0	0	0	112.6	S56 Q57 L62 N63 T64	S56-S60 PolarHBondContact O-N 3.45Å; Q57-S60 PolarHBondContact O-N 2.96Å; Q57-S60 VanDerWaalsContact O-N 3.15Å; S60-L62 PolarHBondContact O-N 3.06Å; S60-N63 PolarHBondContact O-N 3.06Å; S60-T64 PolarHBondContact O-N 3.17Å; S60-T64 PolarHBondContact O-OG1 2.77Å
61	E	54.7	Low	54.2	Low	111 Å²	111	85.7 Å²	85.7	52%	0.519	43%	0.425	S	S	.	.	H	α-helix	trans	-59.6	-46.9	175.5	-72.7	176.8	175.1	0	0	111.4	Q57 N63 T64 I65	Q57-E61 WeakPolarHBondContact O-CG 3.27Å; Q57-E61 PolarHBondContact O-N 2.8Å; E61-N63 VanDerWaalsContact C-N 3.33Å; E61-N63 PolarHBondContact O-N 2.95Å; E61-T64 PolarHBondContact O-N 3.47Å; E61-I65 WeakPolarHBondContact O-CB 3.2Å; E61-I65 WeakPolarHBondContact O-CD1 3.37Å; E61-I65 WeakPolarHBondContact O-CG1 3.44Å; E61-I65 PolarHBondContact O-N 2.65Å
62	L	54.8	Low	54.8	Low	109 Å²	109	86.4 Å²	86.4	57%	0.571	43%	0.426	S	S	*	.	H	α-helix	trans	-59.4	-43.1	176.9	-80.6	167.6	0	0	0	111.9	R58 S59 S60 I65 V66	R58-L62 VanDerWaalsContact O-CB 3.26Å; R58-L62 WeakPolarHBondContact O-CB 3.48Å; R58-L62 WeakPolarHBondContact O-CD1 3.4Å; R58-L62 WeakPolarHBondContact O-CG 3.36Å; R58-L62 PolarHBondContact O-N 2.82Å; S59-L62 PolarHBondContact O-N 3Å; S60-L62 PolarHBondContact O-N 3.06Å; L62-I65 PolarHBondContact O-N 3.01Å; L62-V66 WeakPolarHBondContact O-CB 3.22Å; L62-V66 WeakPolarHBondContact O-CG2 3.34Å; L62-V66 PolarHBondContact O-N 3.32Å
63	N	54.4	Low	55.1	Low	77 Å²	77	81.7 Å²	81.7	41%	0.412	41%	0.408	S	S	.	.	H	α-helix	trans	-64.6	-40.7	177.4	-76.6	-31.5	0	0	0	112	S59 S60 E61 V66 Q67	S59-N63 PolarHBondContact O-N 3.26Å; S59-N63 PolarHBondContact O-ND2 3.25Å; S60-N63 PolarHBondContact O-N 3.06Å; E61-N63 VanDerWaalsContact C-N 3.33Å; E61-N63 PolarHBondContact O-N 2.95Å; N63-V66 PolarHBondContact O-N 2.76Å; N63-Q67 VanDerWaalsContact O-CG 3.32Å; N63-Q67 WeakPolarHBondContact O-CG 3.48Å; N63-Q67 PolarHBondContact O-N 3.35Å
64	T	54.8	Low	55.4	Low	64 Å²	64	83 Å²	83	39%	0.393	43%	0.426	S	S	.	.	H	α-helix	trans	-64.9	-45.1	177.8	-50.6	0	0	0	0	111.1	S60 E61 V66 Q67 Q68	S60-T64 PolarHBondContact O-N 3.17Å; S60-T64 PolarHBondContact O-OG1 2.77Å; E61-T64 PolarHBondContact O-N 3.47Å; T64-V66 PolarHBondContact O-N 3.5Å; T64-Q67 PolarHBondContact O-N 2.69Å; T64-Q68 WeakPolarHBondContact O-CG 3.35Å; T64-Q68 PolarHBondContact O-N 2.81Å
65	I	58.6	Low	55.3	Low	75 Å²	75	81.1 Å²	81.1	39%	0.385	42%	0.424	S	S	.	.	H	α-helix	trans	-60.2	-45.9	175.7	-70.9	167.5	0	0	0	110.6	E61 L62 Q67 Q68 F69	E61-I65 WeakPolarHBondContact O-CB 3.2Å; E61-I65 WeakPolarHBondContact O-CD1 3.37Å; E61-I65 WeakPolarHBondContact O-CG1 3.44Å; E61-I65 PolarHBondContact O-N 2.65Å; L62-I65 PolarHBondContact O-N 3.01Å; I65-Q67 VanDerWaalsContact C-N 3.31Å; I65-Q67 PolarHBondContact O-N 3.41Å; I65-Q68 PolarHBondContact O-N 2.87Å; I65-F69 HydrophobicContact CG2-CD2 3.47Å; I65-F69 VanDerWaalsContact CG2-CD2 3.47Å; I65-F69 HydrophobicContact CG2-CE2 3.34Å; I65-F69 WeakPolarHBondContact O-CB 3.48Å; I65-F69 WeakPolarHBondContact O-CD2 3.27Å; I65-F69 PolarHBondContact O-N 3.31Å
66	V	58.3	Low	55.5	Low	47 Å²	47	76.5 Å²	76.5	29%	0.285	40%	0.401	S	S	.	.	H	α-helix	trans	-60.5	-39.8	177.4	167.3	0	0	0	0	111.7	L62 N63 T64 K70	L62-V66 WeakPolarHBondContact O-CB 3.22Å; L62-V66 WeakPolarHBondContact O-CG2 3.34Å; L62-V66 PolarHBondContact O-N 3.32Å; N63-V66 PolarHBondContact O-N 2.76Å; T64-V66 PolarHBondContact O-N 3.5Å; V66-K70 HydrophobicContact CG1-CD 4.47Å; V66-K70 WeakPolarHBondContact O-CG 3.49Å; V66-K70 PolarHBondContact O-N 3.45Å
67	Q	58	Low	55.7	Low	76 Å²	76	80.6 Å²	80.6	36%	0.355	42%	0.419	S	S	.	.	H	α-helix	trans	-71.8	-40.6	178.2	-67.6	-66	-6.5	0	0	112.5	N63 T64 I65 F69 K70 R71	N63-Q67 VanDerWaalsContact O-CG 3.32Å; N63-Q67 WeakPolarHBondContact O-CG 3.48Å; N63-Q67 PolarHBondContact O-N 3.35Å; T64-Q67 PolarHBondContact O-N 2.69Å; I65-Q67 VanDerWaalsContact C-N 3.31Å; I65-Q67 PolarHBondContact O-N 3.41Å; Q67-F69 VanDerWaalsContact C-N 3.33Å; Q67-F69 PolarHBondContact O-N 3.47Å; Q67-K70 PolarHBondContact O-N 2.95Å; Q67-R71 PolarHBondContact O-N 2.8Å
68	Q	58.4	Low	55.5	Low	114 Å²	114	81.9 Å²	81.9	53%	0.533	45%	0.445	S	S	.	.	H	α-helix	trans	-59.9	-43.3	172.6	-75.2	-179	-18.3	0	0	111.4	T64 I65 K70 R71 V72	T64-Q68 WeakPolarHBondContact O-CG 3.35Å; T64-Q68 PolarHBondContact O-N 2.81Å; I65-Q68 PolarHBondContact O-N 2.87Å; Q68-K70 PolarHBondContact O-N 2.78Å; Q68-R71 WeakPolarHBondContact O-CB 3.25Å; Q68-R71 PolarHBondContact O-N 2.86Å; Q68-V72 WeakPolarHBondContact O-CG2 3.25Å; Q68-V72 PolarHBondContact O-N 2.64Å
69	F	59.2	Low	55.5	Low	83 Å²	83	76.4 Å²	76.4	36%	0.364	43%	0.433	S	S	.	.	H	α-helix	trans	-66	-35.8	175.9	-81.6	-61	0	0	0	113.2	I65 Q67 R71 G73 L94	I65-F69 HydrophobicContact CG2-CD2 3.47Å; I65-F69 VanDerWaalsContact CG2-CD2 3.47Å; I65-F69 HydrophobicContact CG2-CE2 3.34Å; I65-F69 WeakPolarHBondContact O-CB 3.48Å; I65-F69 WeakPolarHBondContact O-CD2 3.27Å; I65-F69 PolarHBondContact O-N 3.31Å; Q67-F69 VanDerWaalsContact C-N 3.33Å; Q67-F69 PolarHBondContact O-N 3.47Å; F69-R71 VanDerWaalsContact C-N 3.34Å; F69-G73 PolarHBondContact O-N 2.87Å; F69-L94 HydrophobicContact CB-CD2 4.2Å; F69-L94 HydrophobicContact CD1-CD2 3.91Å; F69-L94 HydrophobicContact CG-CD2 4.4Å
70	K	57.9	Low	55.8	Low	59 Å²	59	82.4 Å²	82.4	26%	0.257	45%	0.452	S	S	.	.	H	α-helix	trans	-63.1	-39.2	172	-79.2	177.2	177.1	178.3	0	112.2	V66 Q67 Q68 G73 A74 S102	V66-K70 HydrophobicContact CG1-CD 4.47Å; V66-K70 WeakPolarHBondContact O-CG 3.49Å; V66-K70 PolarHBondContact O-N 3.45Å; Q67-K70 PolarHBondContact O-N 2.95Å; Q68-K70 PolarHBondContact O-N 2.78Å; K70-G73 PolarHBondContact O-N 3.35Å; K70-A74 WeakPolarHBondContact O-CB 3.32Å; K70-A74 PolarHBondContact O-N 2.81Å; K70-S102 PolarHBondContact NZ-OG 3.42Å
71	R	61.7	Low	55.9	Low	95 Å²	95	85.4 Å²	85.4	36%	0.358	46%	0.462	S	S	.	.	H	α-helix	trans	-65.5	-48.9	176.1	-176.5	-176.5	178.3	165.7	13.6	111.7	Q67 Q68 F69 G73 A74 E75 E119	Q67-R71 PolarHBondContact O-N 2.8Å; Q68-R71 WeakPolarHBondContact O-CB 3.25Å; Q68-R71 PolarHBondContact O-N 2.86Å; F69-R71 VanDerWaalsContact C-N 3.34Å; R71-G73 PolarHBondContact O-N 2.79Å; R71-A74 PolarHBondContact O-N 2.85Å; R71-E75 HydrophobicContact CG-CG 4.42Å; R71-E75 WeakPolarHBondContact CG-OE1 3.46Å; R71-E75 IonicContact CZ-OE1 3.7Å; R71-E75 IonicContact NE-OE1 2.73Å; R71-E75 PolarHBondContact NE-OE1 3.18Å; R71-E75 IonicContact NH2-OE1 3.72Å; R71-E75 WeakPolarHBondContact O-CG 3.49Å; R71-E75 PolarHBondContact O-N 2.95Å; R71-E119 IonicContact CZ-OE1 3.94Å; R71-E119 VanDerWaalsContact NH1-CG 3.33Å; R71-E119 IonicContact NH1-OE1 2.85Å; R71-E119 PolarHBondContact NH1-OE1 3.21Å
72	V	60.1	Low	55.9	Low	56 Å²	56	82 Å²	82	34%	0.339	45%	0.453	S	S	.	.	H	α-helix	trans	-58.8	-40.1	175.2	174.3	0	0	0	0	110.6	Q68 A74 T76	Q68-V72 WeakPolarHBondContact O-CG2 3.25Å; Q68-V72 PolarHBondContact O-N 2.64Å; V72-A74 PolarHBondContact O-N 2.87Å; V72-T76 HydrophobicContact CG1-CG2 4.31Å; V72-T76 WeakPolarHBondContact O-CB 3.23Å; V72-T76 VanDerWaalsContact O-CG2 3.23Å; V72-T76 WeakPolarHBondContact O-CG2 3.44Å; V72-T76 PolarHBondContact O-N 3.27Å; V72-T76 PolarHBondContact O-OG1 2.93Å
73	G	55.1	Low	55.7	Low	18 Å²	18	79.7 Å²	79.7	19%	0.186	44%	0.441	C	S	.	.	H	α-helix	trans	-63.9	-34.7	172.9	0	0	0	0	0	114.3	F69 K70 R71 T76 N77	F69-G73 PolarHBondContact O-N 2.87Å; K70-G73 PolarHBondContact O-N 3.35Å; R71-G73 PolarHBondContact O-N 2.79Å; G73-T76 WeakPolarHBondContact CA-OG1 3.47Å; G73-T76 PolarHBondContact O-OG1 2.89Å; G73-N77 PolarHBondContact O-ND2 2.85Å
74	A	57.5	Low	55.8	Low	67 Å²	67	82.7 Å²	82.7	55%	0.554	46%	0.457	S	S	*	.	H	α-helix	trans	-76.2	-38.2	177.4	0	0	0	0	0	112.7	K70 R71 V72	K70-A74 WeakPolarHBondContact O-CB 3.32Å; K70-A74 PolarHBondContact O-N 2.81Å; R71-A74 PolarHBondContact O-N 2.85Å; V72-A74 PolarHBondContact O-N 2.87Å
75	E	55.7	Low	56	Low	116 Å²	116	88.9 Å²	88.9	54%	0.542	48%	0.479	S	S	.	.	H	α-helix	trans	-72.1	-33.8	177.4	-71.2	174.7	179.9	0	0	112.1	R71 N77 G78	R71-E75 HydrophobicContact CG-CG 4.42Å; R71-E75 WeakPolarHBondContact CG-OE1 3.46Å; R71-E75 IonicContact CZ-OE1 3.7Å; R71-E75 IonicContact NE-OE1 2.73Å; R71-E75 PolarHBondContact NE-OE1 3.18Å; R71-E75 IonicContact NH2-OE1 3.72Å; R71-E75 WeakPolarHBondContact O-CG 3.49Å; R71-E75 PolarHBondContact O-N 2.95Å; E75-N77 VanDerWaalsContact C-N 3.34Å; E75-N77 PolarHBondContact O-N 3.48Å; E75-G78 PolarHBondContact O-N 2.92Å
76	T	52.9	Low	56.1	Low	21 Å²	21	89.4 Å²	89.4	13%	0.129	48%	0.478	C	S	.	.	H	α-helix	trans	-75.2	-15.9	178.7	48.3	0	0	0	0	114.6	V72 G73 G78 S79 A82	V72-T76 HydrophobicContact CG1-CG2 4.31Å; V72-T76 WeakPolarHBondContact O-CB 3.23Å; V72-T76 VanDerWaalsContact O-CG2 3.23Å; V72-T76 WeakPolarHBondContact O-CG2 3.44Å; V72-T76 PolarHBondContact O-N 3.27Å; V72-T76 PolarHBondContact O-OG1 2.93Å; G73-T76 WeakPolarHBondContact CA-OG1 3.47Å; G73-T76 PolarHBondContact O-OG1 2.89Å; T76-G78 PolarHBondContact O-N 2.84Å; T76-G78 VanDerWaalsContact O-N 3.1Å; T76-S79 PolarHBondContact O-N 3.09Å; T76-A82 HydrophobicContact CG2-CB 4.09Å
77	N	52.1	Low	56.5	Low	145 Å²	145	90.5 Å²	90.5	78%	0.775	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.2	170.8	-79.2	-28.6	0	0	0	113.1	G73 E75	G73-N77 PolarHBondContact O-ND2 2.85Å; E75-N77 VanDerWaalsContact C-N 3.34Å; E75-N77 PolarHBondContact O-N 3.48Å
78	G	52.3	Low	56.8	Low	76 Å²	76	93.1 Å²	93.1	78%	0.784	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-12.4	176	0	0	0	0	0	116	E75 T76	E75-G78 PolarHBondContact O-N 2.92Å; T76-G78 PolarHBondContact O-N 2.84Å; T76-G78 VanDerWaalsContact O-N 3.1Å
79	S	50.5	Low	56.9	Low	60 Å²	60	93.7 Å²	93.7	42%	0.42	51%	0.511	S	S	.	.			trans	-143.5	106.4	-175.9	-166.6	0	0	0	0	112.4	T76 D81 A82	T76-S79 PolarHBondContact O-N 3.09Å; S79-D81 PolarHBondContact O-N 3.34Å; S79-A82 PolarHBondContact O-N 3.06Å
80	K	53.2	Low	56.9	Low	189 Å²	189	92.1 Å²	92.1	82%	0.822	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-18	-177.5	-73.9	179.3	174.6	176.7	0	113.8
81	D	54.4	Low	57	Low	135 Å²	135	91.6 Å²	91.6	72%	0.722	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-20.5	-176.5	-70.8	-32.1	0	0	0	114.1	S79	S79-D81 PolarHBondContact O-N 3.34Å
82	A	53.4	Low	57.1	Low	41 Å²	41	94.3 Å²	94.3	34%	0.339	52%	0.523	S	S	.	.	S	Bend	trans	-77.6	-23.4	-180	0	0	0	0	0	113.5	T76 S79	T76-A82 HydrophobicContact CG2-CB 4.09Å; S79-A82 PolarHBondContact O-N 3.06Å
83	L	51.8	Low	57.1	Low	60 Å²	60	96.6 Å²	96.6	31%	0.314	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-75.1	-22	-177.8	-82.6	154.7	0	0	0	113.5	K85 L91	L83-K85 VanDerWaalsContact C-N 3.25Å; L83-K85 PolarHBondContact O-N 2.88Å; L83-L91 HydrophobicContact CD2-CD2 3.39Å
84	N	55.3	Low	57.1	Low	140 Å²	140	96.9 Å²	96.9	75%	0.749	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-77.3	-5.7	-179.6	-73.1	-19.7	0	0	0	114.2
85	K	59.3	Low	57.1	Low	193 Å²	193	101.3 Å²	101.3	84%	0.839	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-90	-10.6	178.1	-110.2	-178.5	179.5	-180	0	113.9	L83	L83-K85 VanDerWaalsContact C-N 3.25Å; L83-K85 PolarHBondContact O-N 2.88Å
86	F	61.9	Low	57.3	Low	86 Å²	86	100.9 Å²	100.9	38%	0.377	53%	0.534	S	S	.	.	S	Bend	trans	-99.6	142.8	-177.4	-67.2	-78.5	0	0	0	111.1	T90 L91	F86-T90 HydrophobicContact CD1-CG2 4.17Å; F86-L91 HydrophobicContact CB-CD2 4.35Å; F86-L91 HydrophobicContact CB-CG 4.19Å
87	S	66.6	Low	57.3	Low	70 Å²	70	103.4 Å²	103.4	49%	0.49	55%	0.547	S	S	.	.			trans	-60.8	145.8	174.4	176.5	0	0	0	0	110.7	N89 T90 L91	S87-N89 PolarHBondContact O-N 3.41Å; S87-N89 VanDerWaalsContact O-N 3.08Å; S87-T90 WeakPolarHBondContact O-CA 3.16Å; S87-T90 VanDerWaalsContact O-CB 3.31Å; S87-T90 WeakPolarHBondContact O-CB 3.41Å; S87-T90 PolarHBondContact O-N 2.92Å; S87-L91 PolarHBondContact O-N 3.5Å
88	D	63.7	Low	57.4	Low	132 Å²	132	100.4 Å²	100.4	71%	0.706	53%	0.534	S	S	*	.	H	α-helix	trans	-51.7	-32.9	176	-86.6	-24.8	0	0	0	113	L91 K92	D88-L91 PolarHBondContact O-N 3.34Å; D88-K92 VanDerWaalsContact O-CB 3.32Å; D88-K92 WeakPolarHBondContact O-CB 3.49Å; D88-K92 PolarHBondContact O-N 2.85Å
89	N	60	Low	57.3	Low	125 Å²	125	101 Å²	101	67%	0.668	53%	0.526	S	S	*	.	H	α-helix	trans	-67.1	-38.8	175.3	-75.1	-19.3	0	0	0	112.2	S87 K92 L93	S87-N89 PolarHBondContact O-N 3.41Å; S87-N89 VanDerWaalsContact O-N 3.08Å; N89-K92 PolarHBondContact O-N 2.95Å; N89-L93 WeakPolarHBondContact O-CB 3.43Å; N89-L93 PolarHBondContact O-N 3.34Å
90	T	60.3	Low	57.4	Low	50 Å²	50	104.7 Å²	104.7	31%	0.307	53%	0.534	S	S	.	.	H	α-helix	trans	-68.9	-40.3	176.9	-44.2	0	0	0	0	111	F86 S87 L93 L94	F86-T90 HydrophobicContact CD1-CG2 4.17Å; S87-T90 WeakPolarHBondContact O-CA 3.16Å; S87-T90 VanDerWaalsContact O-CB 3.31Å; S87-T90 WeakPolarHBondContact O-CB 3.41Å; S87-T90 PolarHBondContact O-N 2.92Å; T90-L93 PolarHBondContact O-N 3.05Å; T90-L94 HydrophobicContact CG2-CD1 4.34Å; T90-L94 WeakPolarHBondContact O-CB 3.45Å; T90-L94 VanDerWaalsContact O-CG 3.29Å; T90-L94 WeakPolarHBondContact O-CG 3.28Å; T90-L94 PolarHBondContact O-N 3.43Å
91	L	60.1	Low	57.3	Low	48 Å²	48	105.9 Å²	105.9	25%	0.251	54%	0.54	S	S	.	.	H	α-helix	trans	-65.2	-39.4	175.3	-71.5	170.2	0	0	0	112	L83 F86 S87 D88 L94 K95	L83-L91 HydrophobicContact CD2-CD2 3.39Å; F86-L91 HydrophobicContact CB-CD2 4.35Å; F86-L91 HydrophobicContact CB-CG 4.19Å; S87-L91 PolarHBondContact O-N 3.5Å; D88-L91 PolarHBondContact O-N 3.34Å; L91-L94 PolarHBondContact O-N 2.93Å; L91-K95 VanDerWaalsContact O-CB 3.31Å; L91-K95 WeakPolarHBondContact O-CB 3.49Å; L91-K95 PolarHBondContact O-N 2.87Å
92	K	63.9	Low	57.4	Low	153 Å²	153	102 Å²	102	67%	0.665	52%	0.523	S	S	*	.	H	α-helix	trans	-65.4	-43	175.9	-160.7	175.3	-175.4	-179.1	0	111.6	D88 N89 K95 E96	D88-K92 VanDerWaalsContact O-CB 3.32Å; D88-K92 WeakPolarHBondContact O-CB 3.49Å; D88-K92 PolarHBondContact O-N 2.85Å; N89-K92 PolarHBondContact O-N 2.95Å; K92-K95 PolarHBondContact O-N 2.86Å; K92-E96 WeakPolarHBondContact O-CB 3.06Å; K92-E96 PolarHBondContact O-N 3.45Å
93	L	59.4	Low	57.2	Low	103 Å²	103	107.7 Å²	107.7	54%	0.539	55%	0.547	S	S	.	.	H	α-helix	trans	-66.7	-40.9	176.8	-156.1	121.9	0	0	0	111.9	N89 T90 E96 L97	N89-L93 WeakPolarHBondContact O-CB 3.43Å; N89-L93 PolarHBondContact O-N 3.34Å; T90-L93 PolarHBondContact O-N 3.05Å; L93-E96 PolarHBondContact O-N 3.31Å; L93-L97 HydrophobicContact CD2-CD1 3.65Å; L93-L97 HydrophobicContact CD2-CG 4.5Å; L93-L97 HydrophobicContact CG-CD1 4.38Å; L93-L97 WeakPolarHBondContact O-CB 3.44Å; L93-L97 VanDerWaalsContact O-CG 3.25Å; L93-L97 WeakPolarHBondContact O-CG 3.21Å; L93-L97 PolarHBondContact O-N 3.48Å
94	L	54.9	Low	57.3	Low	25 Å²	25	113.4 Å²	113.4	13%	0.131	57%	0.572	C	S	.	*	H	α-helix	trans	-60	-45.8	172.2	-82.4	165.2	0	0	0	111.6	F69 T90 L91 E96 L97 T98	F69-L94 HydrophobicContact CB-CD2 4.2Å; F69-L94 HydrophobicContact CD1-CD2 3.91Å; F69-L94 HydrophobicContact CG-CD2 4.4Å; T90-L94 HydrophobicContact CG2-CD1 4.34Å; T90-L94 WeakPolarHBondContact O-CB 3.45Å; T90-L94 VanDerWaalsContact O-CG 3.29Å; T90-L94 WeakPolarHBondContact O-CG 3.28Å; T90-L94 PolarHBondContact O-N 3.43Å; L91-L94 PolarHBondContact O-N 2.93Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 3.27Å; L94-L97 PolarHBondContact O-N 2.9Å; L94-T98 WeakPolarHBondContact O-CB 3.25Å; L94-T98 WeakPolarHBondContact O-CG2 3.34Å; L94-T98 PolarHBondContact O-N 3.39Å; L94-T98 PolarHBondContact O-OG1 3.34Å
95	K	57.7	Low	57.3	Low	159 Å²	159	110.8 Å²	110.8	69%	0.691	56%	0.561	S	S	*	*	H	α-helix	trans	-65.4	-37.4	179	-154.7	172.8	-172.3	177.6	0	111.1	L91 K92 T98 S99	L91-K95 VanDerWaalsContact O-CB 3.31Å; L91-K95 WeakPolarHBondContact O-CB 3.49Å; L91-K95 PolarHBondContact O-N 2.87Å; K92-K95 PolarHBondContact O-N 2.86Å; K95-T98 WeakPolarHBondContact CA-OG1 3.48Å; K95-T98 PolarHBondContact O-OG1 2.94Å; K95-S99 WeakPolarHBondContact O-CA 3.46Å; K95-S99 WeakPolarHBondContact O-CB 3.41Å; K95-S99 PolarHBondContact O-N 2.86Å; K95-S99 PolarHBondContact O-OG 3.32Å
96	E	59.3	Low	57.4	Low	108 Å²	108	106.2 Å²	106.2	51%	0.505	55%	0.551	S	S	.	*	H	α-helix	trans	-73.1	-36.4	178.4	-158.4	175.4	179.3	0	0	113.2	K92 L93 L94	K92-E96 WeakPolarHBondContact O-CB 3.06Å; K92-E96 PolarHBondContact O-N 3.45Å; L93-E96 PolarHBondContact O-N 3.31Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 3.27Å
97	L	54.1	Low	57.8	Low	74 Å²	74	104 Å²	104	39%	0.387	55%	0.546	S	S	.	.	H	α-helix	trans	-72	-30.4	174.2	-74	169.4	0	0	0	113.1	L93 L94	L93-L97 HydrophobicContact CD2-CD1 3.65Å; L93-L97 HydrophobicContact CD2-CG 4.5Å; L93-L97 HydrophobicContact CG-CD1 4.38Å; L93-L97 WeakPolarHBondContact O-CB 3.44Å; L93-L97 VanDerWaalsContact O-CG 3.25Å; L93-L97 WeakPolarHBondContact O-CG 3.21Å; L93-L97 PolarHBondContact O-N 3.48Å; L94-L97 PolarHBondContact O-N 2.9Å
98	T	53.5	Low	58.4	Low	82 Å²	82	102.1 Å²	102.1	50%	0.503	53%	0.53	S	S	.	.	H	α-helix	trans	-91.5	-27.6	178.7	52.7	0	0	0	0	113.4	L94 K95	L94-T98 WeakPolarHBondContact O-CB 3.25Å; L94-T98 WeakPolarHBondContact O-CG2 3.34Å; L94-T98 PolarHBondContact O-N 3.39Å; L94-T98 PolarHBondContact O-OG1 3.34Å; K95-T98 WeakPolarHBondContact CA-OG1 3.48Å; K95-T98 PolarHBondContact O-OG1 2.94Å
99	S	51	Low	59.1	Low	89 Å²	89	99 Å²	99	62%	0.622	51%	0.509	S	S	*	.	H	α-helix	trans	-78.7	-26.6	-179.5	69.4	0	0	0	0	113.7	K95 K101	K95-S99 WeakPolarHBondContact O-CA 3.46Å; K95-S99 WeakPolarHBondContact O-CB 3.41Å; K95-S99 PolarHBondContact O-N 2.86Å; K95-S99 PolarHBondContact O-OG 3.32Å; S99-K101 PolarHBondContact O-N 2.91Å
100	K	52.6	Low	60	Low	136 Å²	136	101.6 Å²	101.6	59%	0.591	51%	0.511	S	S	*	.	S	Bend	trans	-75.2	119.1	167.8	-74.7	177.4	179.3	168.3	0	106.5	S102	K100-S102 PolarHBondContact O-N 3.19Å
101	K	51	Low	61.1	Low	215 Å²	215	101.5 Å²	101.5	94%	0.935	51%	0.507	S	S	*	.			trans	-60.6	82.2	164.6	-85.4	-176.1	175.5	179.4	0	107.9	S99	S99-K101 PolarHBondContact O-N 2.91Å
102	S	56.5	Low	62.4	Low	54 Å²	54	99.2 Å²	99.2	38%	0.378	50%	0.495	S	S	.	.			trans	-67	133.8	177.8	63.7	0	0	0	0	107.6	K70 K100 Q104	K70-S102 PolarHBondContact NZ-OG 3.42Å; K100-S102 PolarHBondContact O-N 3.19Å; S102-Q104 PolarHBondContact O-N 3.5Å
103	L	48.8	Very low	63.3	Low	159 Å²	159	95.7 Å²	95.7	83%	0.832	49%	0.488	S	S	*	.			trans	-47.7	132.5	166.2	-67.9	163.8	0	0	0	109.1	V105	L103-V105 PolarHBondContact O-N 2.81Å
104	Q	53.7	Low	64.5	Low	180 Å²	180	92.6 Å²	92.6	84%	0.841	47%	0.47	S	S	*	.			trans	-76.9	106.6	168.6	-73.1	-170.7	-9.4	0	0	107.3	S102	S102-Q104 PolarHBondContact O-N 3.5Å
105	V	54.2	Low	65.7	Low	85 Å²	85	91.6 Å²	91.6	52%	0.515	47%	0.465	S	S	.	.			trans	-74.3	131	174.4	-172.6	0	0	0	0	107.8	L103 S107	L103-V105 PolarHBondContact O-N 2.81Å; V105-S107 PolarHBondContact O-N 3.49Å
106	P	62.6	Low	66.4	Low	97 Å²	97	88.7 Å²	88.7	63%	0.63	46%	0.456	S	S	*	.			trans	-51.1	137.3	171.1	-25.9	34.9	0	0	0	110.5
107	S	70.6	Confident	67.1	Low	40 Å²	40	91.3 Å²	91.3	28%	0.28	47%	0.466	S	S	.	.			trans	-144.1	170.7	177.3	64.5	0	0	0	0	108.9	V105 Y109 Y110	V105-S107 PolarHBondContact O-N 3.49Å; S107-Y109 PolarHBondContact O-N 2.88Å; S107-Y110 VanDerWaalsContact O-CB 3.27Å; S107-Y110 WeakPolarHBondContact O-CB 3.35Å; S107-Y110 PolarHBondContact O-N 2.85Å
108	I	78.3	Confident	68.1	Low	31 Å²	31	92 Å²	92	16%	0.159	47%	0.47	C	S	.	.	H	α-helix	trans	-50.3	-33.3	174.6	-168.9	169.9	0	0	0	112.8	Y110 H111 L112 L115 L122 M247 F313	I108-Y110 PolarHBondContact O-N 2.81Å; I108-H111 PolarHBondContact O-N 2.94Å; I108-H111 VanDerWaalsContact O-N 3.13Å; I108-L112 HydrophobicContact CD1-CD1 4.43Å; I108-L112 HydrophobicContact CG1-CD1 4.16Å; I108-L112 PolarHBondContact O-N 3.4Å; I108-L115 HydrophobicContact CD1-CD1 3.93Å; I108-L115 HydrophobicContact CG1-CD1 3.87Å; I108-L122 HydrophobicContact CD1-CD1 4.46Å; I108-L122 HydrophobicContact CD1-CD2 3.8Å; I108-L122 HydrophobicContact CG2-CD1 4.13Å; I108-M247 HydrophobicContact CD1-CE 4.06Å; I108-M247 HydrophobicContact CD1-SD 3.92Å; I108-F313 HydrophobicContact CB-CE2 4.47Å; I108-F313 HydrophobicContact CD1-CD2 4.37Å; I108-F313 HydrophobicContact CD1-CE1 4.44Å; I108-F313 HydrophobicContact CD1-CE2 3.42Å; I108-F313 VanDerWaalsContact CD1-CE2 3.42Å; I108-F313 HydrophobicContact CD1-CZ 3.47Å; I108-F313 VanDerWaalsContact CD1-CZ 3.47Å; I108-F313 HydrophobicContact CG1-CD2 4.11Å; I108-F313 HydrophobicContact CG1-CE2 3.64Å; I108-F313 HydrophobicContact CG1-CZ 3.96Å
109	Y	78.1	Confident	68.7	Low	67 Å²	67	95 Å²	95	26%	0.263	48%	0.479	S	S	.	.	H	α-helix	trans	-67.5	-18.9	178.5	-56.3	-67.7	0	0	0	114.1	S107 P113 L115 L116	S107-Y109 PolarHBondContact O-N 2.88Å; Y109-P113 WeakPolarHBondContact O-CA 3.36Å; Y109-L115 HydrophobicContact CD1-CB 3.88Å; Y109-L115 HydrophobicContact CE1-CB 3.85Å; Y109-L116 HydrophobicContact CD1-CD2 3.44Å; Y109-L116 VanDerWaalsContact CD1-CD2 3.44Å; Y109-L116 HydrophobicContact CD1-CG 3.61Å; Y109-L116 HydrophobicContact CD2-CD2 4.22Å; Y109-L116 HydrophobicContact CE1-CD2 3.79Å; Y109-L116 HydrophobicContact CE1-CG 4.28Å; Y109-L116 HydrophobicContact CG-CD2 3.66Å; Y109-L116 HydrophobicContact CG-CG 4.01Å
110	Y	79	Confident	69.9	Low	178 Å²	178	92.5 Å²	92.5	70%	0.698	47%	0.467	S	S	*	.	H	α-helix	trans	-70.9	-41.5	171.8	-178.7	-96.5	0	0	0	111.1	S107 I108	S107-Y110 VanDerWaalsContact O-CB 3.27Å; S107-Y110 WeakPolarHBondContact O-CB 3.35Å; S107-Y110 PolarHBondContact O-N 2.85Å; I108-Y110 PolarHBondContact O-N 2.81Å
111	H	84.8	Confident	71.3	Confident	48 Å²	48	86.1 Å²	86.1	22%	0.222	44%	0.439	C	S	.	.	H	α-helix	trans	-82.4	-32.7	179.7	-59.2	-64.9	0	0	0	112.6	I108 F313 M314	I108-H111 PolarHBondContact O-N 2.94Å; I108-H111 VanDerWaalsContact O-N 3.13Å; H111-F313 HydrophobicContact CB-CB 4.02Å; H111-M314 VanDerWaalsContact CE1-CG 3.48Å; H111-M314 WeakPolarHBondContact CE1-CG 3.29Å
112	L	86.1	Confident	73	Confident	0 Å²	0	79 Å²	79	0%	0	41%	0.411	C	S	.	.			trans	-129.4	69	-176.2	-60.5	175.6	0	0	0	110.2	I108 H114 L115 P216 L240 F313 Y316	I108-L112 HydrophobicContact CD1-CD1 4.43Å; I108-L112 HydrophobicContact CG1-CD1 4.16Å; I108-L112 PolarHBondContact O-N 3.4Å; L112-H114 PolarHBondContact O-N 2.78Å; L112-L115 HydrophobicContact CB-CD1 3.52Å; L112-L115 HydrophobicContact CB-CG 3.78Å; L112-L115 HydrophobicContact CD1-CD1 3.96Å; L112-L115 HydrophobicContact CG-CD1 4.41Å; L112-L115 WeakPolarHBondContact O-CB 3.46Å; L112-L115 VanDerWaalsContact O-CG 3.29Å; L112-L115 WeakPolarHBondContact O-CG 3.25Å; L112-L115 PolarHBondContact O-N 3.43Å; L112-L115 VanDerWaalsContact O-N 3.16Å; L112-P216 HydrophobicContact CD2-CG 4.19Å; L112-L240 HydrophobicContact CD1-CD2 4.16Å; L112-L240 HydrophobicContact CD2-CD2 4.3Å; L112-F313 HydrophobicContact CD1-CD1 3.96Å; L112-F313 HydrophobicContact CD1-CE1 3.63Å; L112-F313 HydrophobicContact CD1-CZ 4.21Å; L112-Y316 HydrophobicContact CD2-CE1 4.13Å; L112-Y316 HydrophobicContact CD2-CE2 4.47Å
113	P	82.3	Confident	74.5	Confident	80 Å²	80	85 Å²	85	52%	0.519	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-65.9	-20.4	-174.6	25.9	-35.4	0	0	0	113.7	Y109 L115 L116	Y109-P113 WeakPolarHBondContact O-CA 3.36Å; P113-L115 PolarHBondContact O-N 3.15Å; P113-L116 WeakPolarHBondContact O-CB 3.45Å; P113-L116 PolarHBondContact O-N 3.12Å
114	H	84.8	Confident	76.7	Confident	38 Å²	38	78.8 Å²	78.8	18%	0.176	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-64.7	-23.3	176.2	65.5	-74.5	0	0	0	112.8	L112 L116 K117 S213 Y214 Y215	L112-H114 PolarHBondContact O-N 2.78Å; H114-L116 PolarHBondContact O-N 2.82Å; H114-K117 VanDerWaalsContact O-CB 3.28Å; H114-K117 WeakPolarHBondContact O-CB 3.49Å; H114-K117 WeakPolarHBondContact O-CG 3.41Å; H114-K117 PolarHBondContact O-N 2.9Å; H114-S213 PolarHBondContact CD2-O 2.99Å; H114-Y214 PolarHBondContact NE2-O 3.12Å; H114-Y215 PolarHBondContact NE2-O 2.77Å
115	L	80.7	Confident	78.6	Confident	4 Å²	4	73 Å²	73	2%	0.021	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-62.1	-24.8	176	-59	175.5	0	0	0	112.5	I108 Y109 L112 P113 K117 N118 S121 L122 Y214	I108-L115 HydrophobicContact CD1-CD1 3.93Å; I108-L115 HydrophobicContact CG1-CD1 3.87Å; Y109-L115 HydrophobicContact CD1-CB 3.88Å; Y109-L115 HydrophobicContact CE1-CB 3.85Å; L112-L115 HydrophobicContact CB-CD1 3.52Å; L112-L115 HydrophobicContact CB-CG 3.78Å; L112-L115 HydrophobicContact CD1-CD1 3.96Å; L112-L115 HydrophobicContact CG-CD1 4.41Å; L112-L115 WeakPolarHBondContact O-CB 3.46Å; L112-L115 VanDerWaalsContact O-CG 3.29Å; L112-L115 WeakPolarHBondContact O-CG 3.25Å; L112-L115 PolarHBondContact O-N 3.43Å; L112-L115 VanDerWaalsContact O-N 3.16Å; P113-L115 PolarHBondContact O-N 3.15Å; L115-K117 PolarHBondContact O-N 2.94Å; L115-N118 PolarHBondContact O-N 2.92Å; L115-S121 VanDerWaalsContact CD2-CB 3.46Å; L115-L122 HydrophobicContact CD1-CD2 3.95Å; L115-L122 HydrophobicContact CD1-CG 4.48Å; L115-Y214 HydrophobicContact CD2-CD2 4.11Å; L115-Y214 WeakPolarHBondContact CD2-O 3.37Å
116	L	72.8	Confident	80.6	Confident	97 Å²	97	69.7 Å²	69.7	51%	0.508	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-66.4	-20.3	175.6	-68.4	171.6	0	0	0	112.7	Y109 P113 H114 N118	Y109-L116 HydrophobicContact CD1-CD2 3.44Å; Y109-L116 VanDerWaalsContact CD1-CD2 3.44Å; Y109-L116 HydrophobicContact CD1-CG 3.61Å; Y109-L116 HydrophobicContact CD2-CD2 4.22Å; Y109-L116 HydrophobicContact CE1-CD2 3.79Å; Y109-L116 HydrophobicContact CE1-CG 4.28Å; Y109-L116 HydrophobicContact CG-CD2 3.66Å; Y109-L116 HydrophobicContact CG-CG 4.01Å; P113-L116 WeakPolarHBondContact O-CB 3.45Å; P113-L116 PolarHBondContact O-N 3.12Å; H114-L116 PolarHBondContact O-N 2.82Å; L116-N118 VanDerWaalsContact C-N 3.29Å; L116-N118 PolarHBondContact O-N 3.37Å
117	K	74.8	Confident	82.2	Confident	164 Å²	164	70.2 Å²	70.2	71%	0.713	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-74.1	-22.7	-179.4	-59.9	-179.5	178.6	-179.5	0	112.3	H114 L115	H114-K117 VanDerWaalsContact O-CB 3.28Å; H114-K117 WeakPolarHBondContact O-CB 3.49Å; H114-K117 WeakPolarHBondContact O-CG 3.41Å; H114-K117 PolarHBondContact O-N 2.9Å; L115-K117 PolarHBondContact O-N 2.94Å
118	N	74.4	Confident	83.3	Confident	87 Å²	87	70.6 Å²	70.6	47%	0.465	35%	0.35	S	S	.	.			trans	-138.2	113.1	-172.7	-80	-48.6	0	0	0	110.6	L115 L116 G120 S121 S213	L115-N118 PolarHBondContact O-N 2.92Å; L116-N118 VanDerWaalsContact C-N 3.29Å; L116-N118 PolarHBondContact O-N 3.37Å; N118-G120 PolarHBondContact O-N 3.3Å; N118-G120 VanDerWaalsContact O-N 3.15Å; N118-S121 WeakPolarHBondContact CB-OG 3.34Å; N118-S121 WeakPolarHBondContact O-CB 3.28Å; N118-S121 PolarHBondContact O-N 3.48Å; N118-S121 VanDerWaalsContact O-N 3.1Å; N118-S121 PolarHBondContact O-OG 3.08Å; N118-S213 WeakPolarHBondContact ND2-CB 3.16Å
119	E	66.8	Low	83.9	Confident	147 Å²	147	70.6 Å²	70.6	69%	0.687	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.2	-177.3	-61.1	-166.5	155.6	0	0	113.6	R71	R71-E119 IonicContact CZ-OE1 3.94Å; R71-E119 VanDerWaalsContact NH1-CG 3.33Å; R71-E119 IonicContact NH1-OE1 2.85Å; R71-E119 PolarHBondContact NH1-OE1 3.21Å
120	G	75.8	Confident	84.4	Confident	36 Å²	36	72.7 Å²	72.7	37%	0.371	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-2.7	176.9	0	0	0	0	0	115	N118 L122 R123	N118-G120 PolarHBondContact O-N 3.3Å; N118-G120 VanDerWaalsContact O-N 3.15Å; G120-L122 PolarHBondContact O-N 3.48Å; G120-L122 VanDerWaalsContact O-N 3.09Å; G120-R123 PolarHBondContact O-N 3.19Å
121	S	81.5	Confident	84.8	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.007	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.5	-170.4	-60.8	0	0	0	0	115.4	L115 N118 P211 S213 Y214	L115-S121 VanDerWaalsContact CD2-CB 3.46Å; N118-S121 WeakPolarHBondContact CB-OG 3.34Å; N118-S121 WeakPolarHBondContact O-CB 3.28Å; N118-S121 PolarHBondContact O-N 3.48Å; N118-S121 VanDerWaalsContact O-N 3.1Å; N118-S121 PolarHBondContact O-OG 3.08Å; S121-P211 WeakPolarHBondContact O-CG 3.27Å; S121-S213 WeakPolarHBondContact CA-OG 3.33Å; S121-S213 WeakPolarHBondContact CB-OG 3.33Å; S121-S213 VanDerWaalsContact OG-CB 3.22Å; S121-S213 WeakPolarHBondContact OG-CB 3.3Å; S121-S213 PolarHBondContact OG-O 2.97Å; S121-S213 PolarHBondContact OG-OG 3.43Å; S121-Y214 WeakPolarHBondContact O-CB 3.28Å
122	L	85.9	Confident	85.2	Confident	66 Å²	66	65.8 Å²	65.8	35%	0.346	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	7.2	176.1	-62.8	179.3	0	0	0	113	I108 L115 G120 Y214	I108-L122 HydrophobicContact CD1-CD1 4.46Å; I108-L122 HydrophobicContact CD1-CD2 3.8Å; I108-L122 HydrophobicContact CG2-CD1 4.13Å; L115-L122 HydrophobicContact CD1-CD2 3.95Å; L115-L122 HydrophobicContact CD1-CG 4.48Å; G120-L122 PolarHBondContact O-N 3.48Å; G120-L122 VanDerWaalsContact O-N 3.09Å; L122-Y214 HydrophobicContact CD2-CD2 4.12Å; L122-Y214 HydrophobicContact CD2-CE2 4.15Å
123	R	89.4	Confident	85.5	Confident	180 Å²	180	70.2 Å²	70.2	68%	0.679	38%	0.382	S	S	*	.	S	Bend	trans	-103.5	136.6	174.2	-64.6	-176.7	-179.3	176.4	1	108.7	G120 A125 P211	G120-R123 PolarHBondContact O-N 3.19Å; R123-A125 PolarHBondContact O-N 3.37Å; R123-P211 VanDerWaalsContact O-CD 3.22Å; R123-P211 WeakPolarHBondContact O-CD 3.38Å; R123-P211 WeakPolarHBondContact O-CG 3.19Å
124	P	94.3	Very high	85.9	Confident	29 Å²	29	69.8 Å²	69.8	19%	0.188	39%	0.392	C	S	.	.			trans	-55.8	138.3	174.3	-21.9	31.7	0	0	0	111	V126 Q127 I208 S209 F244 Y248	P124-V126 VanDerWaalsContact CB-O 3.28Å; P124-V126 WeakPolarHBondContact CB-O 3.38Å; P124-Q127 HydrophobicContact CB-CB 4.14Å; P124-I208 HydrophobicContact CB-CB 4.25Å; P124-I208 HydrophobicContact CB-CG2 4.28Å; P124-I208 HydrophobicContact CG-CB 4.47Å; P124-I208 HydrophobicContact CG-CG2 4.2Å; P124-S209 CarbonylContact C-O 3.11Å; P124-S209 WeakPolarHBondContact CA-O 3.44Å; P124-F244 HydrophobicContact CG-CE1 4.22Å; P124-F244 HydrophobicContact CG-CZ 4.24Å; P124-Y248 HydrophobicContact CG-CD2 4.12Å; P124-Y248 HydrophobicContact CG-CE2 4.12Å
125	A	94.3	Very high	86.4	Confident	59 Å²	59	68.1 Å²	68.1	49%	0.488	39%	0.385	S	S	.	.	S	Bend	trans	-72.9	-39.2	173.5	0	0	0	0	0	111	R123 S209 P211	R123-A125 PolarHBondContact O-N 3.37Å; A125-S209 PolarHBondContact N-O 3.24Å; A125-P211 HydrophobicContact CB-CB 4.16Å
126	V	95.3	Very high	87	Confident	15 Å²	15	68.6 Å²	68.6	9%	0.091	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.2	168.3	179.2	0	0	0	0	107.8	P124 I128 V185 V189 I208 S209	P124-V126 VanDerWaalsContact CB-O 3.28Å; P124-V126 WeakPolarHBondContact CB-O 3.38Å; V126-I128 HydrophobicContact CG1-CD1 4.45Å; V126-I128 HydrophobicContact CG1-CG1 4.01Å; V126-V185 HydrophobicContact CB-CG1 4.09Å; V126-V185 HydrophobicContact CG1-CG1 4.44Å; V126-V185 HydrophobicContact CG2-CG1 3.74Å; V126-V189 HydrophobicContact CG1-CG2 4.15Å; V126-I208 CarbonylContact O-C 3.44Å; V126-I208 VanDerWaalsContact O-CA 3.24Å; V126-I208 WeakPolarHBondContact O-CA 3.36Å; V126-S209 WeakPolarHBondContact CB-OG 3.31Å; V126-S209 PolarHBondContact N-OG 2.92Å; V126-S209 PolarHBondContact O-N 3.27Å
127	Q	95.5	Very high	88.2	Confident	107 Å²	107	64.1 Å²	64.1	50%	0.5	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	114.2	174.2	-176.3	175.5	1.7	0	0	108.8	P124 V207 I208 Y248	P124-Q127 HydrophobicContact CB-CB 4.14Å; Q127-V207 CarbonylContact C-O 3.52Å; Q127-V207 WeakPolarHBondContact CA-O 3.35Å; Q127-I208 HydrophobicContact CB-CG2 4.44Å; Q127-I208 HydrophobicContact CG-CG2 4.13Å; Q127-Y248 PolarHBondContact NE2-OH 3.41Å
128	I	95.1	Very high	89.3	Confident	48 Å²	48	56.3 Å²	56.3	25%	0.246	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.7	178.9	-54	-64.4	0	0	0	108.6	V126 V189 I200 E206 V207	V126-I128 HydrophobicContact CG1-CD1 4.45Å; V126-I128 HydrophobicContact CG1-CG1 4.01Å; I128-V189 HydrophobicContact CG1-CG1 3.99Å; I128-I200 HydrophobicContact CG2-CG2 3.74Å; I128-E206 CarbonylContact O-C 3.6Å; I128-E206 WeakPolarHBondContact O-CA 3.25Å; I128-V207 HydrophobicContact CB-CB 4.29Å; I128-V207 PolarHBondContact N-O 2.98Å; I128-V207 PolarHBondContact O-N 2.95Å
129	G	90	Very high	90.4	Very high	32 Å²	32	52.3 Å²	52.3	33%	0.33	31%	0.31	S	S	.	.	S	Bend	trans	126.3	175.8	-180	0	0	0	0	0	112.6
130	N	88.4	Confident	91.9	Very high	110 Å²	110	45.3 Å²	45.3	59%	0.588	28%	0.277	S	S	*	.			trans	-93.1	5	-170.6	-67.4	-13.9	0	0	0	114.7	R132 S201	N130-R132 PolarHBondContact O-N 2.81Å; N130-S201 PolarHBondContact ND2-O 2.87Å
131	G	88.8	Confident	93	Very high	34 Å²	34	43.6 Å²	43.6	35%	0.351	26%	0.259	S	S	.	.			trans	63	41.5	179	0	0	0	0	0	113.2	E206	G131-E206 WeakPolarHBondContact CA-OE1 3.44Å; G131-E206 PolarHBondContact N-OE1 2.86Å
132	R	91.8	Very high	93.8	Very high	48 Å²	48	44.2 Å²	44.2	18%	0.181	26%	0.263	C	S	.	.			trans	-64.8	139.3	-176.6	-173.9	-172.3	-72.2	177.9	-5.3	110	N130 V135 K168 C171 V172 S202 G203 E206 K252	N130-R132 PolarHBondContact O-N 2.81Å; R132-V135 HydrophobicContact CG-CG1 4.23Å; R132-K168 PolarHBondContact NH1-O 3.45Å; R132-C171 PolarHBondContact NH1-O 3.28Å; R132-V172 HydrophobicContact CB-CG2 3.8Å; R132-V172 HydrophobicContact CG-CG2 4.01Å; R132-S202 PolarHBondContact NH2-O 3.47Å; R132-G203 PolarHBondContact NE-O 3.04Å; R132-E206 PolarHBondContact N-OE1 3.16Å; R132-K252 PolarHBondContact O-NZ 3.39Å
133	T	93.1	Very high	94.2	Very high	92 Å²	92	41.3 Å²	41.3	56%	0.564	25%	0.248	S	C	*	.			trans	-137.2	168.6	178.3	58.9	0	0	0	0	110.4	K252	T133-K252 CarbonylContact C-O 3.48Å; T133-K252 WeakPolarHBondContact CA-O 3.17Å; T133-K252 HydrophobicContact CG2-CG 4.34Å
134	G	90.4	Very high	94.4	Very high	72 Å²	72	34.1 Å²	34.1	74%	0.742	23%	0.225	S	C	*	.	S	Bend	trans	79.3	21.9	178.7	0	0	0	0	0	114.3	K252	G134-K252 PolarHBondContact N-O 3.37Å
135	V	94.7	Very high	94.2	Very high	3 Å²	3	38 Å²	38	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	158.9	176.9	-65.2	0	0	0	0	112	R132 V138 V172 K252 G253 I254	R132-V135 HydrophobicContact CG-CG1 4.23Å; V135-V138 HydrophobicContact CG2-CG2 3.98Å; V135-V172 HydrophobicContact CG1-CG2 3.95Å; V135-V172 HydrophobicContact CG2-CB 4.35Å; V135-V172 HydrophobicContact CG2-CG2 3.95Å; V135-K252 WeakPolarHBondContact CG2-O 3.5Å; V135-K252 PolarHBondContact N-O 3.47Å; V135-G253 CarbonylContact O-C 3.57Å; V135-G253 WeakPolarHBondContact O-CA 3.34Å; V135-I254 PolarHBondContact O-N 3.28Å
136	S	93.2	Very high	93.8	Very high	14 Å²	14	36.8 Å²	36.8	10%	0.098	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	-44.6	175.6	-63.1	0	0	0	0	112.1	D170 I254 Y255 K274	S136-D170 WeakPolarHBondContact CB-OD1 3.37Å; S136-D170 VanDerWaalsContact CB-OD2 3.31Å; S136-D170 WeakPolarHBondContact CB-OD2 3.43Å; S136-D170 PolarHBondContact N-O 3.33Å; S136-D170 VanDerWaalsContact N-O 3.16Å; S136-D170 PolarHBondContact N-OD1 3.24Å; S136-D170 PolarHBondContact OG-OD1 3.05Å; S136-D170 PolarHBondContact OG-OD2 3.27Å; S136-I254 WeakPolarHBondContact O-CB 3.38Å; S136-I254 PolarHBondContact O-N 2.92Å; S136-Y255 WeakPolarHBondContact O-CD2 3.4Å; S136-Y255 PolarHBondContact O-N 2.97Å; S136-K274 PolarHBondContact OG-NZ 2.8Å
137	I	98.1	Very high	93.1	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130.2	-173.1	-58.8	170.7	0	0	0	110.8	M139 D170 C171 V172 Y255 I257 F270 I273 K274 M299	I137-M139 HydrophobicContact CG2-CG 4.28Å; I137-D170 PolarHBondContact N-O 3.04Å; I137-C171 VanDerWaalsContact O-CA 3.24Å; I137-C171 WeakPolarHBondContact O-CA 3.45Å; I137-C171 WeakPolarHBondContact O-CB 3.39Å; I137-V172 PolarHBondContact O-N 3.47Å; I137-Y255 WeakPolarHBondContact CA-O 3.41Å; I137-Y255 HydrophobicContact CG1-CD2 4.32Å; I137-I257 HydrophobicContact CG2-CG2 3.82Å; I137-F270 HydrophobicContact CB-CE2 3.85Å; I137-F270 HydrophobicContact CB-CZ 4.26Å; I137-F270 HydrophobicContact CD1-CD2 4.32Å; I137-F270 HydrophobicContact CD1-CE2 3.82Å; I137-F270 HydrophobicContact CD1-CZ 4Å; I137-F270 HydrophobicContact CG1-CE2 4.25Å; I137-F270 HydrophobicContact CG1-CZ 4.35Å; I137-F270 HydrophobicContact CG2-CE2 4.48Å; I137-I273 HydrophobicContact CD1-CB 4.45Å; I137-I273 HydrophobicContact CD1-CG2 3.77Å; I137-K274 HydrophobicContact CD1-CB 4.05Å; I137-M299 HydrophobicContact CG1-CE 4.49Å
138	V	98.4	Very high	92.3	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.3	171	-169.5	0	0	0	0	108.7	V135 V172 V174 A249 K252 Y255 Y256 I257	V135-V138 HydrophobicContact CG2-CG2 3.98Å; V138-V172 CarbonylContact C-O 3.55Å; V138-V172 WeakPolarHBondContact CA-O 3.25Å; V138-V174 HydrophobicContact CG1-CG2 3.91Å; V138-A249 HydrophobicContact CG1-CB 3.78Å; V138-K252 HydrophobicContact CG1-CB 4.38Å; V138-K252 HydrophobicContact CG1-CD 4.5Å; V138-K252 HydrophobicContact CG2-CB 3.59Å; V138-Y255 PolarHBondContact N-O 2.8Å; V138-Y256 HydrophobicContact CB-CD2 4.31Å; V138-Y256 HydrophobicContact CG1-CD2 4.4Å; V138-Y256 CarbonylContact O-C 3.58Å; V138-Y256 WeakPolarHBondContact O-CA 3.39Å; V138-I257 PolarHBondContact O-N 3.32Å
139	M	98.5	Very high	91.6	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	110.2	179.8	-69.3	179.2	-93.5	0	0	109.7	I137 L159 L163 C171 V172 I173 V174 I257 L259 Y269 F270	I137-M139 HydrophobicContact CG2-CG 4.28Å; M139-L159 HydrophobicContact SD-CD2 4.27Å; M139-L163 HydrophobicContact CE-CD1 4.37Å; M139-C171 HydrophobicContact CE-CB 3.74Å; M139-C171 VanDerWaalsContact CE-SG 3.55Å; M139-V172 PolarHBondContact N-O 3.38Å; M139-I173 HydrophobicContact CB-CG1 4.18Å; M139-I173 HydrophobicContact CE-CD1 4.22Å; M139-I173 HydrophobicContact CE-CG1 3.7Å; M139-I173 CarbonylContact O-C 3.5Å; M139-I173 WeakPolarHBondContact O-CA 3.32Å; M139-I173 HydrophobicContact SD-CG1 4.27Å; M139-V174 PolarHBondContact O-N 2.91Å; M139-I257 HydrophobicContact CB-CG2 4.14Å; M139-I257 HydrophobicContact CG-CG2 3.53Å; M139-L259 HydrophobicContact CB-CD1 4.03Å; M139-L259 HydrophobicContact CG-CD1 4.21Å; M139-L259 HydrophobicContact SD-CD1 4.35Å; M139-Y269 HydrophobicContact SD-CE2 3.99Å; M139-F270 HydrophobicContact CE-CD2 4.31Å; M139-F270 HydrophobicContact CE-CE2 4.43Å
140	G	98.3	Very high	91.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	122.2	178.4	0	0	0	0	0	112.1	I257 Q258 L259	G140-I257 PolarHBondContact N-O 3.46Å; G140-Q258 PolarHBondContact O-NE2 3.46Å; G140-L259 WeakPolarHBondContact O-CA 3.44Å; G140-L259 WeakPolarHBondContact O-CB 3.3Å; G140-L259 PolarHBondContact O-N 2.95Å
141	I	98.3	Very high	91.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	101.5	-179.8	-53.8	175.3	0	0	0	109.6	L152 L156 L159 I173 V174 V175 F176 L259 D261	I141-L152 HydrophobicContact CG2-CD1 4.09Å; I141-L156 HydrophobicContact CD1-CD2 3.86Å; I141-L159 HydrophobicContact CD1-CD1 3.37Å; I141-L159 HydrophobicContact CG1-CD1 4.43Å; I141-I173 HydrophobicContact CD1-CG2 3.47Å; I141-I173 VanDerWaalsContact CD1-CG2 3.47Å; I141-I173 HydrophobicContact CG1-CG2 4.17Å; I141-V174 PolarHBondContact N-O 2.93Å; I141-V175 CarbonylContact O-C 3.59Å; I141-V175 WeakPolarHBondContact O-CA 3.48Å; I141-F176 PolarHBondContact O-N 2.95Å; I141-L259 HydrophobicContact CG1-CB 4.12Å; I141-L259 HydrophobicContact CG1-CD1 4.35Å; I141-D261 HydrophobicContact CG2-CB 3.82Å
142	P	97.1	Very high	92	Very high	14 Å²	14	40 Å²	40	9%	0.091	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	136.4	173.4	30.4	-24.6	0	0	0	110.1	F176 Y242 L245 L259	P142-F176 CarbonylContact C-O 3.6Å; P142-F176 WeakPolarHBondContact CA-O 3.48Å; P142-F176 HydrophobicContact CB-CD1 4.23Å; P142-Y242 HydrophobicContact CB-CD1 4.15Å; P142-Y242 HydrophobicContact CB-CE1 3.8Å; P142-Y242 HydrophobicContact CG-CD1 3.9Å; P142-Y242 HydrophobicContact CG-CE1 3.28Å; P142-L245 HydrophobicContact CB-CD2 4.32Å; P142-L245 HydrophobicContact CG-CD2 4.42Å; P142-L259 WeakPolarHBondContact CD-O 3.41Å
143	T	95.4	Very high	92.1	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.6	175.4	-171.4	0	0	0	0	110.1	L152 V175 F176 I177 G178 D261	T143-L152 HydrophobicContact CG2-CD2 4.04Å; T143-V175 HydrophobicContact CG2-CG1 4.23Å; T143-F176 PolarHBondContact N-O 2.74Å; T143-I177 HydrophobicContact CG2-CB 4.21Å; T143-I177 HydrophobicContact CG2-CG1 3.88Å; T143-I177 HydrophobicContact CG2-CG2 4.39Å; T143-G178 PolarHBondContact O-N 2.66Å; T143-D261 WeakPolarHBondContact CA-OD2 3.33Å; T143-D261 VanDerWaalsContact CB-OD2 3.25Å; T143-D261 WeakPolarHBondContact CB-OD2 3.44Å; T143-D261 PolarHBondContact OG1-OD2 2.85Å
144	V	93.4	Very high	92	Very high	30 Å²	30	40.7 Å²	40.7	18%	0.182	23%	0.225	C	C	.	.			trans	-133.7	157.6	176.9	-64.8	0	0	0	0	109.4	R146 S367	V144-R146 PolarHBondContact O-N 3.1Å; V144-S367 VanDerWaalsContact CG2-CB 3.46Å
145	K	90.9	Very high	92.2	Very high	111 Å²	111	37.3 Å²	37.3	48%	0.483	19%	0.19	S	C	.	.			trans	-63.7	121.8	179.8	-172.1	172.1	-176.7	175.6	0	110.4	E179 Y184	K145-E179 HydrophobicContact CB-CG 4.21Å; K145-E179 WeakPolarHBondContact CB-OE1 3.27Å; K145-E179 PolarHBondContact N-OE1 3.34Å; K145-Y184 WeakPolarHBondContact CA-OH 3.35Å; K145-Y184 HydrophobicContact CB-CE1 3.91Å; K145-Y184 HydrophobicContact CB-CE2 4.25Å; K145-Y184 HydrophobicContact CD-CD1 4.48Å; K145-Y184 HydrophobicContact CD-CD2 3.82Å; K145-Y184 HydrophobicContact CD-CE1 4.41Å; K145-Y184 HydrophobicContact CD-CE2 3.73Å; K145-Y184 HydrophobicContact CD-CG 4.19Å; K145-Y184 HydrophobicContact CG-CD2 4.32Å; K145-Y184 HydrophobicContact CG-CE1 4.27Å; K145-Y184 HydrophobicContact CG-CE2 3.7Å
146	R	85.4	Confident	92.4	Very high	33 Å²	33	37.1 Å²	37.1	13%	0.125	19%	0.189	C	C	.	.			trans	-104.1	146.3	171.5	-68.1	-176.7	177.6	81.4	-10	109.7	V144 K149 D261 D262 H365	V144-R146 PolarHBondContact O-N 3.1Å; R146-K149 WeakPolarHBondContact CB-O 3.13Å; R146-K149 WeakPolarHBondContact CD-O 3.42Å; R146-D261 IonicContact CZ-OD1 3.36Å; R146-D261 IonicContact CZ-OD2 3.7Å; R146-D261 IonicContact NH1-OD1 3.83Å; R146-D261 PolarHBondContact NH1-OD1 3.25Å; R146-D261 VanDerWaalsContact NH1-OD1 3.09Å; R146-D261 IonicContact NH1-OD2 2.69Å; R146-D261 PolarHBondContact NH1-OD2 2.77Å; R146-D261 IonicContact NH2-OD1 3.91Å; R146-D261 PolarHBondContact NH2-OD1 2.96Å; R146-D261 IonicContact NH2-OD2 3.81Å; R146-D262 IonicContact CZ-OD2 3.3Å; R146-D262 IonicContact NH2-OD2 3.59Å; R146-D262 PolarHBondContact NH2-OD2 3.41Å; R146-H365 PolarHBondContact NE-O 3.06Å
147	E	79.4	Confident	92.5	Very high	153 Å²	153	39.6 Å²	39.6	72%	0.715	20%	0.199	S	C	*	.	S	Bend	trans	-70.6	-33.2	178.7	-68.1	175.7	-172.6	0	0	112.8	S369	E147-S369 PolarHBondContact OE1-OG 2.95Å
148	V	79.8	Confident	92.3	Very high	97 Å²	97	40.5 Å²	40.5	59%	0.588	21%	0.205	S	C	*	.	S	Bend	trans	-101.6	-57.5	-166.9	-176.6	0	0	0	0	113.2	H365	V148-H365 HydrophobicContact CB-CB 4.23Å; V148-H365 HydrophobicContact CG2-CB 4.5Å
149	K	81.3	Confident	92.3	Very high	86 Å²	86	40.5 Å²	40.5	37%	0.374	21%	0.205	S	C	.	.			trans	-149.2	143	-174.9	-178.3	-179.3	180	-162.8	0	110.2	R146 Y151 E154	R146-K149 WeakPolarHBondContact CB-O 3.13Å; R146-K149 WeakPolarHBondContact CD-O 3.42Å; K149-Y151 HydrophobicContact CD-CD1 4.3Å; K149-Y151 HydrophobicContact CD-CE1 3.86Å; K149-Y151 HydrophobicContact CG-CE1 4.44Å; K149-E154 WeakPolarHBondContact CE-OE1 3.18Å; K149-E154 IonicContact NZ-OE1 2.67Å; K149-E154 PolarHBondContact NZ-OE1 3.04Å; K149-E154 IonicContact NZ-OE2 2.91Å; K149-E154 PolarHBondContact NZ-OE2 2.89Å
150	S	88	Confident	92.2	Very high	64 Å²	64	40.4 Å²	40.4	45%	0.448	21%	0.205	S	C	.	.			trans	-93.5	136.3	164.8	-179.1	0	0	0	0	110.6	L152	S150-L152 PolarHBondContact OG-N 3.09Å
151	Y	91.1	Very high	92	Very high	11 Å²	11	45.7 Å²	45.7	4%	0.043	23%	0.233	C	C	.	.			trans	-103.4	-6.5	178.3	-60.4	-79.4	0	0	0	112.8	K149 I153 E154 T155 D261 D262 L364 H365	K149-Y151 HydrophobicContact CD-CD1 4.3Å; K149-Y151 HydrophobicContact CD-CE1 3.86Å; K149-Y151 HydrophobicContact CG-CE1 4.44Å; Y151-I153 PolarHBondContact O-N 2.86Å; Y151-E154 PolarHBondContact O-N 3.44Å; Y151-E154 VanDerWaalsContact O-N 3.12Å; Y151-T155 PolarHBondContact O-N 3.01Å; Y151-T155 PolarHBondContact O-OG1 3.22Å; Y151-D261 CarbonylContact C-O 3.55Å; Y151-D261 VanDerWaalsContact CB-O 3.25Å; Y151-D261 WeakPolarHBondContact CB-O 3.41Å; Y151-D262 HydrophobicContact CD2-CB 3.72Å; Y151-D262 HydrophobicContact CG-CB 3.74Å; Y151-L364 PolarHBondContact OH-N 2.89Å; Y151-L364 VanDerWaalsContact OH-N 3.09Å; Y151-H365 PolarHBondContact OH-N 3.01Å; Y151-H365 VanDerWaalsContact OH-N 3.15Å
152	L	95.1	Very high	91.6	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-55.6	-45.7	-170.3	177.2	63.9	0	0	0	113.4	I141 T143 S150 T155 L156 V175 V188 L192 D261	I141-L152 HydrophobicContact CG2-CD1 4.09Å; T143-L152 HydrophobicContact CG2-CD2 4.04Å; S150-L152 PolarHBondContact OG-N 3.09Å; L152-T155 PolarHBondContact O-N 2.68Å; L152-L156 HydrophobicContact CD1-CD1 4.12Å; L152-L156 HydrophobicContact CD1-CG 4.21Å; L152-L156 HydrophobicContact CG-CD1 4.12Å; L152-L156 WeakPolarHBondContact O-CB 3.48Å; L152-L156 WeakPolarHBondContact O-CG 3.37Å; L152-L156 PolarHBondContact O-N 3.13Å; L152-V175 HydrophobicContact CD1-CG1 3.96Å; L152-V175 HydrophobicContact CD2-CG1 4.07Å; L152-V188 HydrophobicContact CD2-CG1 4.14Å; L152-L192 HydrophobicContact CD2-CD1 4.14Å; L152-L192 HydrophobicContact CD2-CD2 3.99Å; L152-L192 HydrophobicContact CD2-CG 4.43Å; L152-L192 HydrophobicContact CG-CD2 4.34Å; L152-D261 HydrophobicContact CB-CB 4.44Å; L152-D261 HydrophobicContact CD1-CB 4.04Å; L152-D261 PolarHBondContact N-O 3.36Å
153	I	93.8	Very high	91.4	Very high	61 Å²	61	47.6 Å²	47.6	31%	0.313	24%	0.242	S	C	.	.	H	α-helix	trans	-64.3	-43.2	-178.7	-65.5	175.3	0	0	0	110.5	Y151 T155 L156 H157 F196	Y151-I153 PolarHBondContact O-N 2.86Å; I153-T155 VanDerWaalsContact C-N 3.34Å; I153-T155 PolarHBondContact O-N 2.81Å; I153-L156 PolarHBondContact O-N 3.47Å; I153-H157 PolarHBondContact O-CD2 3.08Å; I153-H157 PolarHBondContact O-N 3.04Å; I153-F196 HydrophobicContact CG2-CE2 4.3Å; I153-F196 HydrophobicContact CG2-CZ 4.4Å
154	E	91.2	Very high	91.1	Very high	93 Å²	93	53 Å²	53	44%	0.435	26%	0.263	S	S	.	.	H	α-helix	trans	-63.1	-42.6	178.2	-63.5	175.8	167.7	0	0	110.9	K149 Y151 S158	K149-E154 WeakPolarHBondContact CE-OE1 3.18Å; K149-E154 IonicContact NZ-OE1 2.67Å; K149-E154 PolarHBondContact NZ-OE1 3.04Å; K149-E154 IonicContact NZ-OE2 2.91Å; K149-E154 PolarHBondContact NZ-OE2 2.89Å; Y151-E154 PolarHBondContact O-N 3.44Å; Y151-E154 VanDerWaalsContact O-N 3.12Å; E154-S158 WeakPolarHBondContact O-CB 3.25Å; E154-S158 PolarHBondContact O-N 2.93Å
155	T	95.8	Very high	91.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.5	-45.6	175.6	-64.7	0	0	0	0	112	Y151 L152 I153 S158 L159 D261 D262 I263	Y151-T155 PolarHBondContact O-N 3.01Å; Y151-T155 PolarHBondContact O-OG1 3.22Å; L152-T155 PolarHBondContact O-N 2.68Å; I153-T155 VanDerWaalsContact C-N 3.34Å; I153-T155 PolarHBondContact O-N 2.81Å; T155-S158 WeakPolarHBondContact O-CB 3.37Å; T155-S158 PolarHBondContact O-N 2.85Å; T155-L159 HydrophobicContact CG2-CD1 3.95Å; T155-L159 WeakPolarHBondContact O-CG 3.28Å; T155-L159 PolarHBondContact O-N 2.91Å; T155-D261 WeakPolarHBondContact CB-O 3.32Å; T155-D261 PolarHBondContact OG1-O 3.46Å; T155-D262 WeakPolarHBondContact OG1-CA 3.35Å; T155-D262 PolarHBondContact OG1-N 2.85Å; T155-I263 WeakPolarHBondContact CA-O 3.46Å; T155-I263 HydrophobicContact CG2-CD1 4.46Å; T155-I263 HydrophobicContact CG2-CG1 3.61Å; T155-I263 PolarHBondContact OG1-N 3.02Å; T155-I263 PolarHBondContact OG1-O 2.9Å
156	L	97.8	Very high	91	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64.4	-43.1	178.9	-74.9	174.9	0	0	0	112.1	I141 L152 I153 S158 L159 I160 I173 V175 L192 F196	I141-L156 HydrophobicContact CD1-CD2 3.86Å; L152-L156 HydrophobicContact CD1-CD1 4.12Å; L152-L156 HydrophobicContact CD1-CG 4.21Å; L152-L156 HydrophobicContact CG-CD1 4.12Å; L152-L156 WeakPolarHBondContact O-CB 3.48Å; L152-L156 WeakPolarHBondContact O-CG 3.37Å; L152-L156 PolarHBondContact O-N 3.13Å; I153-L156 PolarHBondContact O-N 3.47Å; L156-S158 PolarHBondContact O-N 3.02Å; L156-L159 PolarHBondContact O-N 3.49Å; L156-I160 HydrophobicContact CB-CD1 4.23Å; L156-I160 HydrophobicContact CD2-CD1 4.49Å; L156-I160 VanDerWaalsContact O-CB 3.29Å; L156-I160 WeakPolarHBondContact O-CB 3.42Å; L156-I160 WeakPolarHBondContact O-CD1 3.27Å; L156-I160 VanDerWaalsContact O-CG1 3.25Å; L156-I160 WeakPolarHBondContact O-CG1 3.37Å; L156-I160 PolarHBondContact O-N 2.9Å; L156-I173 HydrophobicContact CD2-CG2 3.89Å; L156-V175 HydrophobicContact CD1-CG2 4.25Å; L156-V175 HydrophobicContact CD2-CG2 4Å; L156-L192 HydrophobicContact CD1-CD2 3.5Å; L156-F196 HydrophobicContact CB-CE1 4.07Å; L156-F196 HydrophobicContact CB-CE2 3.79Å; L156-F196 HydrophobicContact CB-CZ 3.48Å; L156-F196 VanDerWaalsContact CB-CZ 3.48Å; L156-F196 HydrophobicContact CD1-CD2 4.04Å; L156-F196 HydrophobicContact CD1-CE2 3.74Å; L156-F196 HydrophobicContact CD1-CZ 4.31Å; L156-F196 HydrophobicContact CG-CE2 4.45Å
157	H	95.8	Very high	91.3	Very high	66 Å²	66	58.5 Å²	58.5	31%	0.306	30%	0.299	S	S	.	.	H	α-helix	trans	-58.2	-48.7	171.7	-80.7	-61.6	0	0	0	111.3	I153 L159 I160 D161 F196	I153-H157 PolarHBondContact O-CD2 3.08Å; I153-H157 PolarHBondContact O-N 3.04Å; H157-L159 VanDerWaalsContact C-N 3.27Å; H157-L159 PolarHBondContact O-N 2.87Å; H157-I160 PolarHBondContact O-N 3.33Å; H157-D161 IonicContact ND1-OD2 3.97Å; H157-D161 WeakPolarHBondContact O-CB 2.95Å; H157-D161 PolarHBondContact O-N 2.98Å; H157-F196 AromaticContact CD2-CZ 3.79Å; H157-F196 AromaticContact CE1-CE1 3.7Å; H157-F196 AromaticContact CE1-CZ 3.79Å; H157-F196 AromaticContact CG-CZ 3.99Å; H157-F196 AromaticContact ND1-CE1 3.8Å; H157-F196 AromaticContact NE2-CZ 3.66Å
158	S	93.9	Very high	92.1	Very high	21 Å²	21	54 Å²	54	15%	0.147	28%	0.277	C	S	.	.	H	α-helix	trans	-55.6	-43.9	178.8	-167.2	0	0	0	0	111.8	E154 T155 L156 N162 I264 V265	E154-S158 WeakPolarHBondContact O-CB 3.25Å; E154-S158 PolarHBondContact O-N 2.93Å; T155-S158 WeakPolarHBondContact O-CB 3.37Å; T155-S158 PolarHBondContact O-N 2.85Å; L156-S158 PolarHBondContact O-N 3.02Å; S158-N162 WeakPolarHBondContact O-CB 3.3Å; S158-N162 PolarHBondContact O-ND2 3.46Å; S158-I264 WeakPolarHBondContact OG-CA 3.44Å; S158-V265 WeakPolarHBondContact O-CG2 3.47Å; S158-V265 PolarHBondContact OG-N 2.78Å
159	L	97.6	Very high	92.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-69	-50	178.4	-72.8	165.5	0	0	0	113.1	M139 I141 T155 L156 H157 L163 I173 L259 V265 Y269 F359	M139-L159 HydrophobicContact SD-CD2 4.27Å; I141-L159 HydrophobicContact CD1-CD1 3.37Å; I141-L159 HydrophobicContact CG1-CD1 4.43Å; T155-L159 HydrophobicContact CG2-CD1 3.95Å; T155-L159 WeakPolarHBondContact O-CG 3.28Å; T155-L159 PolarHBondContact O-N 2.91Å; L156-L159 PolarHBondContact O-N 3.49Å; H157-L159 VanDerWaalsContact C-N 3.27Å; H157-L159 PolarHBondContact O-N 2.87Å; L159-L163 WeakPolarHBondContact O-CG 3.33Å; L159-I173 HydrophobicContact CB-CD1 4.35Å; L159-L259 HydrophobicContact CD1-CD1 4.1Å; L159-L259 HydrophobicContact CD2-CD1 4Å; L159-V265 HydrophobicContact CD2-CG1 3.41Å; L159-V265 VanDerWaalsContact CD2-CG1 3.41Å; L159-V265 HydrophobicContact CG-CG1 4.07Å; L159-Y269 HydrophobicContact CD2-CE2 3.96Å; L159-Y269 PolarHBondContact O-OH 3.33Å; L159-F359 HydrophobicContact CD2-CE1 4.39Å
160	I	97.3	Very high	93.5	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-75.1	-37.6	-170.1	-67.4	163.9	0	0	0	111.7	L156 H157 N162 L163 K168 I173 F196 E199 L204 V205	L156-I160 HydrophobicContact CB-CD1 4.23Å; L156-I160 HydrophobicContact CD2-CD1 4.49Å; L156-I160 VanDerWaalsContact O-CB 3.29Å; L156-I160 WeakPolarHBondContact O-CB 3.42Å; L156-I160 WeakPolarHBondContact O-CD1 3.27Å; L156-I160 VanDerWaalsContact O-CG1 3.25Å; L156-I160 WeakPolarHBondContact O-CG1 3.37Å; L156-I160 PolarHBondContact O-N 2.9Å; H157-I160 PolarHBondContact O-N 3.33Å; I160-N162 PolarHBondContact O-N 3.4Å; I160-L163 PolarHBondContact O-N 3.05Å; I160-K168 WeakPolarHBondContact O-CE 3.46Å; I160-K168 PolarHBondContact O-NZ 3.49Å; I160-I173 HydrophobicContact CD1-CD1 4.36Å; I160-I173 HydrophobicContact CG1-CD1 3.75Å; I160-F196 HydrophobicContact CD1-CD1 3.75Å; I160-F196 HydrophobicContact CD1-CE1 3.81Å; I160-E199 HydrophobicContact CD1-CG 4.25Å; I160-E199 HydrophobicContact CG2-CG 3.98Å; I160-L204 HydrophobicContact CG1-CD2 4.47Å; I160-L204 HydrophobicContact CG2-CD2 4.38Å; I160-V205 HydrophobicContact CD1-CG2 3.86Å
161	D	93.4	Very high	93.9	Very high	110 Å²	110	49.9 Å²	49.9	59%	0.588	25%	0.25	S	C	*	.	H	α-helix	trans	-73.5	-21.3	-178.5	-63.2	-21.3	0	0	0	111.8	H157	H157-D161 IonicContact ND1-OD2 3.97Å; H157-D161 WeakPolarHBondContact O-CB 2.95Å; H157-D161 PolarHBondContact O-N 2.98Å
162	N	91.1	Very high	94.3	Very high	43 Å²	43	49.3 Å²	49.3	23%	0.23	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	11.5	175.2	-74.4	-80.1	0	0	0	114	S158 I160 V265 Q267 Y269	S158-N162 WeakPolarHBondContact O-CB 3.3Å; S158-N162 PolarHBondContact O-ND2 3.46Å; I160-N162 PolarHBondContact O-N 3.4Å; N162-V265 HydrophobicContact CB-CG2 3.92Å; N162-Q267 WeakPolarHBondContact OD1-CA 3.48Å; N162-Y269 HydrophobicContact CB-CD1 4.1Å; N162-Y269 HydrophobicContact CB-CE1 3.94Å
163	L	92.8	Very high	94.4	Very high	11 Å²	11	49.2 Å²	49.2	6%	0.058	25%	0.247	C	C	.	.			trans	-99.6	132.6	172	-71.8	168.7	0	0	0	111.7	M139 L159 I160 E167 K168 L204 Y269 F270	M139-L163 HydrophobicContact CE-CD1 4.37Å; L159-L163 WeakPolarHBondContact O-CG 3.33Å; I160-L163 PolarHBondContact O-N 3.05Å; L163-E167 WeakPolarHBondContact CA-OE2 3.44Å; L163-E167 HydrophobicContact CB-CB 4.46Å; L163-E167 HydrophobicContact CD2-CB 3.82Å; L163-K168 HydrophobicContact CB-CG 3.71Å; L163-K168 HydrophobicContact CD1-CG 4.2Å; L163-K168 WeakPolarHBondContact O-CE 3.34Å; L163-L204 HydrophobicContact CD1-CD1 4.48Å; L163-Y269 HydrophobicContact CD2-CE1 4.29Å; L163-Y269 WeakPolarHBondContact CD2-OH 3.31Å; L163-Y269 HydrophobicContact CG-CE1 4.41Å; L163-Y269 WeakPolarHBondContact CG-OH 3.41Å; L163-F270 HydrophobicContact CD2-CB 3.55Å; L163-F270 HydrophobicContact CD2-CD2 3.77Å; L163-F270 HydrophobicContact CD2-CG 3.7Å
164	Y	88.8	Confident	94.7	Very high	119 Å²	119	46.3 Å²	46.3	47%	0.467	23%	0.232	S	C	.	.			trans	-70.9	155.9	167.3	-65.2	-72.1	0	0	0	111.3	E166 E167 K168	Y164-E166 VanDerWaalsContact C-N 3.29Å; Y164-E166 PolarHBondContact O-N 3.24Å; Y164-E167 WeakPolarHBondContact CD2-OE2 3.37Å; Y164-E167 PolarHBondContact N-OE2 2.83Å; Y164-E167 WeakPolarHBondContact O-CB 3.32Å; Y164-E167 PolarHBondContact O-N 2.64Å; Y164-K168 PolarHBondContact O-N 2.95Å
165	P	92.1	Very high	95	Very high	103 Å²	103	41.9 Å²	41.9	67%	0.669	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-38.1	-177.7	-28.5	36	0	0	0	114.8	K168	P165-K168 PolarHBondContact O-N 3.49Å
166	E	89.4	Confident	95.1	Very high	168 Å²	168	41.9 Å²	41.9	79%	0.785	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-36.8	176.6	-63.7	-178.9	-176.4	0	0	111.8	Y164 L169 D170	Y164-E166 VanDerWaalsContact C-N 3.29Å; Y164-E166 PolarHBondContact O-N 3.24Å; E166-L169 WeakPolarHBondContact O-CB 2.91Å; E166-L169 PolarHBondContact O-N 2.99Å; E166-L169 VanDerWaalsContact O-N 3.16Å; E166-D170 PolarHBondContact O-N 3.3Å
167	E	92.4	Very high	95.2	Very high	18 Å²	18	42 Å²	42	8%	0.084	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-35.3	177.9	-57.4	177.4	144.1	0	0	111.5	L163 Y164 L169 D170 C171 F270 N271	L163-E167 WeakPolarHBondContact CA-OE2 3.44Å; L163-E167 HydrophobicContact CB-CB 4.46Å; L163-E167 HydrophobicContact CD2-CB 3.82Å; Y164-E167 WeakPolarHBondContact CD2-OE2 3.37Å; Y164-E167 PolarHBondContact N-OE2 2.83Å; Y164-E167 WeakPolarHBondContact O-CB 3.32Å; Y164-E167 PolarHBondContact O-N 2.64Å; E167-L169 PolarHBondContact O-N 3.49Å; E167-D170 CarbonylContact O-C 3.46Å; E167-D170 PolarHBondContact O-N 3.15Å; E167-C171 PolarHBondContact O-N 3.06Å; E167-C171 PolarHBondContact O-SG 3.48Å; E167-F270 HydrophobicContact CB-CD1 3.63Å; E167-F270 HydrophobicContact CB-CE1 3.9Å; E167-F270 HydrophobicContact CB-CG 4.12Å; E167-F270 HydrophobicContact CG-CD1 3.5Å; E167-F270 VanDerWaalsContact CG-CD1 3.5Å; E167-F270 HydrophobicContact CG-CE1 3.98Å; E167-F270 HydrophobicContact CG-CG 4.27Å; E167-F270 WeakPolarHBondContact OE1-CD1 3.28Å; E167-N271 WeakPolarHBondContact OE1-CB 3.3Å; E167-N271 PolarHBondContact OE1-N 3.47Å
168	K	96.3	Very high	95.2	Very high	60 Å²	60	38.8 Å²	38.8	26%	0.261	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.8	172.8	-66.5	-173.1	-179.4	-167.7	0	113.2	R132 I160 L163 Y164 P165 L204	R132-K168 PolarHBondContact NH1-O 3.45Å; I160-K168 WeakPolarHBondContact O-CE 3.46Å; I160-K168 PolarHBondContact O-NZ 3.49Å; L163-K168 HydrophobicContact CB-CG 3.71Å; L163-K168 HydrophobicContact CD1-CG 4.2Å; L163-K168 WeakPolarHBondContact O-CE 3.34Å; Y164-K168 PolarHBondContact O-N 2.95Å; P165-K168 PolarHBondContact O-N 3.49Å; K168-L204 HydrophobicContact CB-CD2 4.15Å; K168-L204 HydrophobicContact CD-CD2 4.11Å; K168-L204 HydrophobicContact CG-CD2 3.98Å
169	L	95.1	Very high	95.3	Very high	125 Å²	125	39.8 Å²	39.8	65%	0.654	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-25.7	174	-62.2	175.2	0	0	0	112.2	E166 E167	E166-L169 WeakPolarHBondContact O-CB 2.91Å; E166-L169 PolarHBondContact O-N 2.99Å; E166-L169 VanDerWaalsContact O-N 3.16Å; E167-L169 PolarHBondContact O-N 3.49Å
170	D	95.1	Very high	95.2	Very high	34 Å²	34	42.6 Å²	42.6	18%	0.182	22%	0.216	C	C	.	.	S	Bend	trans	-102.8	17.4	-173.8	-171	35.9	0	0	0	113.4	S136 I137 E166 E167 K274	S136-D170 WeakPolarHBondContact CB-OD1 3.37Å; S136-D170 VanDerWaalsContact CB-OD2 3.31Å; S136-D170 WeakPolarHBondContact CB-OD2 3.43Å; S136-D170 PolarHBondContact N-O 3.33Å; S136-D170 VanDerWaalsContact N-O 3.16Å; S136-D170 PolarHBondContact N-OD1 3.24Å; S136-D170 PolarHBondContact OG-OD1 3.05Å; S136-D170 PolarHBondContact OG-OD2 3.27Å; I137-D170 PolarHBondContact N-O 3.04Å; E166-D170 PolarHBondContact O-N 3.3Å; E167-D170 CarbonylContact O-C 3.46Å; E167-D170 PolarHBondContact O-N 3.15Å; D170-K274 IonicContact OD2-NZ 3.61Å; D170-K274 PolarHBondContact OD2-NZ 3.2Å
171	C	96.9	Very high	95.1	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	163.3	172.6	71.4	0	0	0	0	113.3	R132 I137 M139 E167 L204 F270	R132-C171 PolarHBondContact NH1-O 3.28Å; I137-C171 VanDerWaalsContact O-CA 3.24Å; I137-C171 WeakPolarHBondContact O-CA 3.45Å; I137-C171 WeakPolarHBondContact O-CB 3.39Å; M139-C171 HydrophobicContact CE-CB 3.74Å; M139-C171 VanDerWaalsContact CE-SG 3.55Å; E167-C171 PolarHBondContact O-N 3.06Å; E167-C171 PolarHBondContact O-SG 3.48Å; C171-L204 WeakPolarHBondContact SG-CD1 3.41Å; C171-F270 HydrophobicContact CB-CD2 4.36Å; C171-F270 HydrophobicContact CB-CE2 3.44Å; C171-F270 VanDerWaalsContact CB-CE2 3.44Å; C171-F270 HydrophobicContact CB-CZ 3.9Å
172	V	98.1	Very high	95.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	132.8	169.8	176.4	0	0	0	0	108.1	R132 V135 I137 V138 M139 V174 L204 E206	R132-V172 HydrophobicContact CB-CG2 3.8Å; R132-V172 HydrophobicContact CG-CG2 4.01Å; V135-V172 HydrophobicContact CG1-CG2 3.95Å; V135-V172 HydrophobicContact CG2-CB 4.35Å; V135-V172 HydrophobicContact CG2-CG2 3.95Å; I137-V172 PolarHBondContact O-N 3.47Å; V138-V172 CarbonylContact C-O 3.55Å; V138-V172 WeakPolarHBondContact CA-O 3.25Å; M139-V172 PolarHBondContact N-O 3.38Å; V172-V174 HydrophobicContact CG1-CG2 3.93Å; V172-L204 CarbonylContact C-O 3.48Å; V172-L204 WeakPolarHBondContact CA-O 3.39Å; V172-E206 HydrophobicContact CG1-CG 4.09Å
173	I	98.6	Very high	95.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	115.3	171.3	-59	171.9	0	0	0	107.5	M139 I141 L156 L159 I160 V175 L204 V205 E206	M139-I173 HydrophobicContact CB-CG1 4.18Å; M139-I173 HydrophobicContact CE-CD1 4.22Å; M139-I173 HydrophobicContact CE-CG1 3.7Å; M139-I173 CarbonylContact O-C 3.5Å; M139-I173 WeakPolarHBondContact O-CA 3.32Å; M139-I173 HydrophobicContact SD-CG1 4.27Å; I141-I173 HydrophobicContact CD1-CG2 3.47Å; I141-I173 VanDerWaalsContact CD1-CG2 3.47Å; I141-I173 HydrophobicContact CG1-CG2 4.17Å; L156-I173 HydrophobicContact CD2-CG2 3.89Å; L159-I173 HydrophobicContact CB-CD1 4.35Å; I160-I173 HydrophobicContact CD1-CD1 4.36Å; I160-I173 HydrophobicContact CG1-CD1 3.75Å; I173-V175 HydrophobicContact CG2-CG2 4.34Å; I173-L204 PolarHBondContact N-O 3.14Å; I173-V205 HydrophobicContact CB-CG2 4.34Å; I173-V205 CarbonylContact O-C 3.53Å; I173-V205 WeakPolarHBondContact O-CA 3.47Å; I173-E206 PolarHBondContact O-N 3.36Å
174	V	98.6	Very high	95.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	109.4	176.3	-176.5	0	0	0	0	108.7	V138 M139 I141 V172 I208 L245 Y248 K252	V138-V174 HydrophobicContact CG1-CG2 3.91Å; M139-V174 PolarHBondContact O-N 2.91Å; I141-V174 PolarHBondContact N-O 2.93Å; V172-V174 HydrophobicContact CG1-CG2 3.93Å; V174-I208 HydrophobicContact CG1-CD1 3.82Å; V174-I208 HydrophobicContact CG1-CG1 3.89Å; V174-L245 HydrophobicContact CB-CD1 3.92Å; V174-L245 HydrophobicContact CG1-CD1 3.55Å; V174-Y248 HydrophobicContact CG1-CD1 3.7Å; V174-Y248 HydrophobicContact CG1-CE1 3.73Å; V174-Y248 HydrophobicContact CG2-CD1 4.33Å; V174-Y248 HydrophobicContact CG2-CE1 4.14Å; V174-K252 HydrophobicContact CG2-CD 4.15Å
175	V	98.6	Very high	95.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	115.2	172.8	-178.8	0	0	0	0	108.8	I141 T143 L152 L156 I173 L192 V205 E206 V207 I208	I141-V175 CarbonylContact O-C 3.59Å; I141-V175 WeakPolarHBondContact O-CA 3.48Å; T143-V175 HydrophobicContact CG2-CG1 4.23Å; L152-V175 HydrophobicContact CD1-CG1 3.96Å; L152-V175 HydrophobicContact CD2-CG1 4.07Å; L156-V175 HydrophobicContact CD1-CG2 4.25Å; L156-V175 HydrophobicContact CD2-CG2 4Å; I173-V175 HydrophobicContact CG2-CG2 4.34Å; V175-L192 HydrophobicContact CG1-CD1 4.26Å; V175-V205 HydrophobicContact CG2-CG1 4.27Å; V175-E206 PolarHBondContact N-O 3.4Å; V175-V207 HydrophobicContact CB-CG2 4.43Å; V175-V207 CarbonylContact O-C 3.57Å; V175-V207 WeakPolarHBondContact O-CA 3.47Å; V175-I208 PolarHBondContact O-N 3.16Å
176	F	98.5	Very high	96.1	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	110.5	175.9	173.2	-96.8	0	0	0	110.6	I141 P142 T143 G178 I208 P210 D241 F244 L245	I141-F176 PolarHBondContact O-N 2.95Å; P142-F176 CarbonylContact C-O 3.6Å; P142-F176 WeakPolarHBondContact CA-O 3.48Å; P142-F176 HydrophobicContact CB-CD1 4.23Å; T143-F176 PolarHBondContact N-O 2.74Å; F176-G178 VanDerWaalsContact CE1-CA 3.47Å; F176-G178 PolarHBondContact O-N 2.85Å; F176-I208 WeakPolarHBondContact CA-O 3.48Å; F176-I208 HydrophobicContact CB-CD1 4.36Å; F176-I208 HydrophobicContact CB-CG1 4.14Å; F176-I208 HydrophobicContact CD2-CD1 3.8Å; F176-I208 HydrophobicContact CD2-CG1 3.92Å; F176-P210 HydrophobicContact CE2-CB 3.96Å; F176-P210 VanDerWaalsContact CE2-CD 3.5Å; F176-P210 HydrophobicContact CE2-CG 3.82Å; F176-P210 HydrophobicContact CZ-CB 4.01Å; F176-P210 HydrophobicContact CZ-CG 3.57Å; F176-D241 HydrophobicContact CD1-CB 4.3Å; F176-D241 HydrophobicContact CE1-CB 3.52Å; F176-D241 HydrophobicContact CZ-CB 4.25Å; F176-F244 AromaticContact CD2-CD1 3.86Å; F176-F244 HydrophobicContact CD2-CD1 3.86Å; F176-F244 HydrophobicContact CD2-CE1 4.48Å; F176-F244 HydrophobicContact CE2-CB 3.95Å; F176-F244 AromaticContact CE2-CD1 3.35Å; F176-F244 HydrophobicContact CE2-CD1 3.35Å; F176-F244 HydrophobicContact CE2-CE1 4.04Å; F176-F244 AromaticContact CE2-CG 3.79Å; F176-F244 HydrophobicContact CE2-CG 3.79Å; F176-F244 HydrophobicContact CZ-CB 4.13Å; F176-F244 HydrophobicContact CZ-CD1 4.32Å; F176-F244 HydrophobicContact CZ-CG 4.35Å; F176-L245 HydrophobicContact CB-CB 4.23Å; F176-L245 HydrophobicContact CB-CD1 4Å; F176-L245 HydrophobicContact CB-CD2 4.12Å; F176-L245 HydrophobicContact CB-CG 4.33Å; F176-L245 HydrophobicContact CG-CB 4.3Å
177	I	98.2	Very high	96.5	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	100.5	174.6	-53.2	168.2	0	0	0	107.5	T143 E179 V185 V188 V189 V207 I208 S209 P210	T143-I177 HydrophobicContact CG2-CB 4.21Å; T143-I177 HydrophobicContact CG2-CG1 3.88Å; T143-I177 HydrophobicContact CG2-CG2 4.39Å; I177-E179 HydrophobicContact CG2-CB 4.15Å; I177-E179 HydrophobicContact CG2-CG 4.27Å; I177-E179 PolarHBondContact O-N 2.9Å; I177-V185 HydrophobicContact CD1-CG1 4.08Å; I177-V185 HydrophobicContact CG2-CG2 3.97Å; I177-V188 HydrophobicContact CD1-CB 3.97Å; I177-V188 HydrophobicContact CD1-CG1 3.71Å; I177-V188 HydrophobicContact CG1-CG1 4.19Å; I177-V189 HydrophobicContact CD1-CG2 3.96Å; I177-V207 HydrophobicContact CD1-CG1 3.5Å; I177-V207 HydrophobicContact CG1-CG1 4.04Å; I177-I208 PolarHBondContact N-O 3.27Å; I177-S209 WeakPolarHBondContact O-CB 3.3Å; I177-P210 WeakPolarHBondContact O-CD 3.48Å
178	G	96.8	Very high	96.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.			trans	-74.7	39.1	-178.4	0	0	0	0	0	113.8	T143 F176 K237	T143-G178 PolarHBondContact O-N 2.66Å; F176-G178 VanDerWaalsContact CE1-CA 3.47Å; F176-G178 PolarHBondContact O-N 2.85Å; G178-K237 WeakPolarHBondContact O-CE 3.34Å; G178-K237 PolarHBondContact O-NZ 3.45Å
179	E	96.2	Very high	96.7	Very high	41 Å²	41	37.1 Å²	37.1	19%	0.192	20%	0.2	C	C	.	.			trans	-120.4	146	179.5	-62.8	-62.2	153.8	0	0	110.2	K145 I177 Y184 V185	K145-E179 HydrophobicContact CB-CG 4.21Å; K145-E179 WeakPolarHBondContact CB-OE1 3.27Å; K145-E179 PolarHBondContact N-OE1 3.34Å; I177-E179 HydrophobicContact CG2-CB 4.15Å; I177-E179 HydrophobicContact CG2-CG 4.27Å; I177-E179 PolarHBondContact O-N 2.9Å; E179-Y184 HydrophobicContact CB-CD1 3.89Å; E179-Y184 HydrophobicContact CB-CE1 4.3Å; E179-Y184 HydrophobicContact CG-CD1 3.69Å; E179-Y184 HydrophobicContact CG-CE1 3.62Å; E179-V185 HydrophobicContact CB-CG2 4.06Å; E179-V185 WeakPolarHBondContact O-CG2 2.97Å
180	T	94.9	Very high	96.8	Very high	59 Å²	59	33.6 Å²	33.6	36%	0.362	19%	0.189	S	C	.	.			trans	-101.7	-12.3	178.6	58	0	0	0	0	112.8	I182 E212 Y215	T180-I182 PolarHBondContact O-N 3.46Å; T180-E212 HydrophobicContact CG2-CB 4.24Å; T180-E212 HydrophobicContact CG2-CG 4.5Å; T180-Y215 HydrophobicContact CG2-CD2 3.74Å; T180-Y215 HydrophobicContact CG2-CE2 3.59Å
181	D	96.1	Very high	96.8	Very high	73 Å²	73	36.3 Å²	36.3	39%	0.39	20%	0.203	S	C	.	.			trans	-72.8	104.7	173.6	176.7	-2.1	0	0	0	109.7	D183 Y184 V185	D181-D183 VanDerWaalsContact C-N 3.29Å; D181-D183 PolarHBondContact O-N 3.24Å; D181-D183 PolarHBondContact OD1-N 2.86Å; D181-D183 VanDerWaalsContact OD1-N 3.13Å; D181-Y184 PolarHBondContact O-N 2.97Å; D181-Y184 PolarHBondContact OD1-N 3.39Å; D181-V185 VanDerWaalsContact O-CG2 3.29Å; D181-V185 WeakPolarHBondContact O-CG2 3.4Å; D181-V185 PolarHBondContact O-N 3.45Å
182	I	93.7	Very high	96.8	Very high	98 Å²	98	36.4 Å²	36.4	50%	0.503	20%	0.204	S	C	.	.	H	α-helix	trans	-61.1	-36.9	-174.6	-64.3	174.3	0	0	0	111.7	T180 V185 H186	T180-I182 PolarHBondContact O-N 3.46Å; I182-V185 PolarHBondContact O-N 3.5Å; I182-H186 WeakPolarHBondContact CG2-CE1 3.31Å; I182-H186 WeakPolarHBondContact O-CB 3.32Å; I182-H186 PolarHBondContact O-N 3Å
183	D	95.8	Very high	96.7	Very high	131 Å²	131	40.6 Å²	40.6	70%	0.701	22%	0.223	S	C	*	.	H	α-helix	trans	-67.8	-41.1	-179.3	-69.3	-31.8	0	0	0	110.6	D181 G187	D181-D183 VanDerWaalsContact C-N 3.29Å; D181-D183 PolarHBondContact O-N 3.24Å; D181-D183 PolarHBondContact OD1-N 2.86Å; D181-D183 VanDerWaalsContact OD1-N 3.13Å; D183-G187 PolarHBondContact O-N 3.33Å
184	Y	95.6	Very high	96.6	Very high	54 Å²	54	48.1 Å²	48.1	21%	0.212	26%	0.256	C	S	.	.	H	α-helix	trans	-63.7	-46.4	172.7	178.3	-97.7	0	0	0	111.9	K145 E179 D181 H186 G187 V188	K145-Y184 WeakPolarHBondContact CA-OH 3.35Å; K145-Y184 HydrophobicContact CB-CE1 3.91Å; K145-Y184 HydrophobicContact CB-CE2 4.25Å; K145-Y184 HydrophobicContact CD-CD1 4.48Å; K145-Y184 HydrophobicContact CD-CD2 3.82Å; K145-Y184 HydrophobicContact CD-CE1 4.41Å; K145-Y184 HydrophobicContact CD-CE2 3.73Å; K145-Y184 HydrophobicContact CD-CG 4.19Å; K145-Y184 HydrophobicContact CG-CD2 4.32Å; K145-Y184 HydrophobicContact CG-CE1 4.27Å; K145-Y184 HydrophobicContact CG-CE2 3.7Å; E179-Y184 HydrophobicContact CB-CD1 3.89Å; E179-Y184 HydrophobicContact CB-CE1 4.3Å; E179-Y184 HydrophobicContact CG-CD1 3.69Å; E179-Y184 HydrophobicContact CG-CE1 3.62Å; D181-Y184 PolarHBondContact O-N 2.97Å; D181-Y184 PolarHBondContact OD1-N 3.39Å; Y184-H186 PolarHBondContact O-N 3.21Å; Y184-G187 PolarHBondContact O-N 3.25Å; Y184-G187 VanDerWaalsContact O-N 3.13Å; Y184-V188 HydrophobicContact CD1-CG2 4.21Å; Y184-V188 HydrophobicContact CE1-CG2 3.64Å; Y184-V188 HydrophobicContact CE2-CG2 4.18Å; Y184-V188 PolarHBondContact O-N 2.85Å
185	V	96.8	Very high	96.5	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-58.3	-48.3	178.7	172.8	0	0	0	0	110.4	V126 I177 E179 D181 I182 G187 V188 V189	V126-V185 HydrophobicContact CB-CG1 4.09Å; V126-V185 HydrophobicContact CG1-CG1 4.44Å; V126-V185 HydrophobicContact CG2-CG1 3.74Å; I177-V185 HydrophobicContact CD1-CG1 4.08Å; I177-V185 HydrophobicContact CG2-CG2 3.97Å; E179-V185 HydrophobicContact CB-CG2 4.06Å; E179-V185 WeakPolarHBondContact O-CG2 2.97Å; D181-V185 VanDerWaalsContact O-CG2 3.29Å; D181-V185 WeakPolarHBondContact O-CG2 3.4Å; D181-V185 PolarHBondContact O-N 3.45Å; I182-V185 PolarHBondContact O-N 3.5Å; V185-G187 VanDerWaalsContact C-N 3.29Å; V185-G187 PolarHBondContact O-N 3.18Å; V185-V188 PolarHBondContact O-N 3.28Å; V185-V188 VanDerWaalsContact O-N 3.15Å; V185-V189 HydrophobicContact CG1-CG2 4.3Å; V185-V189 VanDerWaalsContact O-CG2 3.31Å; V185-V189 WeakPolarHBondContact O-CG2 3.4Å; V185-V189 PolarHBondContact O-N 3.07Å
186	H	96.9	Very high	96.4	Very high	99 Å²	99	52.8 Å²	52.8	46%	0.458	28%	0.278	S	S	.	.	H	α-helix	trans	-61.7	-36.6	176.3	-72	163.1	0	0	0	112.5	I182 Y184 V189 A190	I182-H186 WeakPolarHBondContact CG2-CE1 3.31Å; I182-H186 WeakPolarHBondContact O-CB 3.32Å; I182-H186 PolarHBondContact O-N 3Å; Y184-H186 PolarHBondContact O-N 3.21Å; H186-V189 PolarHBondContact O-N 2.86Å; H186-A190 WeakPolarHBondContact O-CB 3.31Å; H186-A190 PolarHBondContact O-N 2.9Å
187	G	96.8	Very high	96.4	Very high	35 Å²	35	55.9 Å²	55.9	36%	0.361	30%	0.299	S	S	.	.	H	α-helix	trans	-61	-42.4	172.9	0	0	0	0	0	112.9	D183 Y184 V185 N191	D183-G187 PolarHBondContact O-N 3.33Å; Y184-G187 PolarHBondContact O-N 3.25Å; Y184-G187 VanDerWaalsContact O-N 3.13Å; V185-G187 VanDerWaalsContact C-N 3.29Å; V185-G187 PolarHBondContact O-N 3.18Å; G187-N191 VanDerWaalsContact O-CG 3.29Å; G187-N191 PolarHBondContact O-N 2.77Å; G187-N191 PolarHBondContact O-ND2 3.08Å; G187-N191 VanDerWaalsContact O-ND2 3.14Å
188	V	96.3	Very high	96.3	Very high	18 Å²	18	63.3 Å²	63.3	11%	0.109	33%	0.332	C	S	.	.	H	α-helix	trans	-67.2	-44.7	175.1	177.5	0	0	0	0	110.9	L152 I177 Y184 V185 A190 N191 L192	L152-V188 HydrophobicContact CD2-CG1 4.14Å; I177-V188 HydrophobicContact CD1-CB 3.97Å; I177-V188 HydrophobicContact CD1-CG1 3.71Å; I177-V188 HydrophobicContact CG1-CG1 4.19Å; Y184-V188 HydrophobicContact CD1-CG2 4.21Å; Y184-V188 HydrophobicContact CE1-CG2 3.64Å; Y184-V188 HydrophobicContact CE2-CG2 4.18Å; Y184-V188 PolarHBondContact O-N 2.85Å; V185-V188 PolarHBondContact O-N 3.28Å; V185-V188 VanDerWaalsContact O-N 3.15Å; V188-A190 PolarHBondContact O-N 2.97Å; V188-N191 WeakPolarHBondContact O-CB 3.42Å; V188-N191 PolarHBondContact O-N 2.81Å; V188-L192 HydrophobicContact CG1-CD1 4.18Å; V188-L192 HydrophobicContact CG1-CG 4.47Å; V188-L192 WeakPolarHBondContact O-CG 3.35Å; V188-L192 PolarHBondContact O-N 3.14Å
189	V	96.8	Very high	96.3	Very high	9 Å²	9	65.3 Å²	65.3	6%	0.055	34%	0.341	C	S	.	.	H	α-helix	trans	-58.9	-47.8	177.4	170.2	0	0	0	0	111	V126 I128 I177 V185 H186 N191 L192 E193 V207	V126-V189 HydrophobicContact CG1-CG2 4.15Å; I128-V189 HydrophobicContact CG1-CG1 3.99Å; I177-V189 HydrophobicContact CD1-CG2 3.96Å; V185-V189 HydrophobicContact CG1-CG2 4.3Å; V185-V189 VanDerWaalsContact O-CG2 3.31Å; V185-V189 WeakPolarHBondContact O-CG2 3.4Å; V185-V189 PolarHBondContact O-N 3.07Å; H186-V189 PolarHBondContact O-N 2.86Å; V189-N191 VanDerWaalsContact C-N 3.26Å; V189-N191 PolarHBondContact O-N 2.99Å; V189-L192 CarbonylContact O-C 3.54Å; V189-L192 WeakPolarHBondContact O-CB 3.25Å; V189-L192 PolarHBondContact O-N 2.8Å; V189-E193 HydrophobicContact CG1-CG 4.17Å; V189-E193 WeakPolarHBondContact O-CG 3.29Å; V189-E193 PolarHBondContact O-N 2.89Å; V189-V207 HydrophobicContact CG2-CG1 4.01Å
190	A	96.9	Very high	96.3	Very high	51 Å²	51	64 Å²	64	42%	0.421	34%	0.335	S	S	.	.	H	α-helix	trans	-59.7	-37.8	178.9	0	0	0	0	0	112.2	H186 V188 K194	H186-A190 WeakPolarHBondContact O-CB 3.31Å; H186-A190 PolarHBondContact O-N 2.9Å; V188-A190 PolarHBondContact O-N 2.97Å; A190-K194 WeakPolarHBondContact O-CB 3.34Å; A190-K194 PolarHBondContact O-N 2.84Å
191	N	95.9	Very high	96.4	Very high	91 Å²	91	64.9 Å²	64.9	49%	0.487	34%	0.344	S	S	.	.	H	α-helix	trans	-66.1	-41.2	174.1	-69.8	-29.9	0	0	0	111.9	G187 V188 V189 K194 E195	G187-N191 VanDerWaalsContact O-CG 3.29Å; G187-N191 PolarHBondContact O-N 2.77Å; G187-N191 PolarHBondContact O-ND2 3.08Å; G187-N191 VanDerWaalsContact O-ND2 3.14Å; V188-N191 WeakPolarHBondContact O-CB 3.42Å; V188-N191 PolarHBondContact O-N 2.81Å; V189-N191 VanDerWaalsContact C-N 3.26Å; V189-N191 PolarHBondContact O-N 2.99Å; N191-K194 PolarHBondContact O-N 3.06Å; N191-E195 PolarHBondContact O-N 3.39Å
192	L	97.1	Very high	96.3	Very high	2 Å²	2	64 Å²	64	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-68	-40.3	177	-68.3	176.1	0	0	0	112.2	L152 L156 V175 V188 V189 K194 E195 F196 I200 V207	L152-L192 HydrophobicContact CD2-CD1 4.14Å; L152-L192 HydrophobicContact CD2-CD2 3.99Å; L152-L192 HydrophobicContact CD2-CG 4.43Å; L152-L192 HydrophobicContact CG-CD2 4.34Å; L156-L192 HydrophobicContact CD1-CD2 3.5Å; V175-L192 HydrophobicContact CG1-CD1 4.26Å; V188-L192 HydrophobicContact CG1-CD1 4.18Å; V188-L192 HydrophobicContact CG1-CG 4.47Å; V188-L192 WeakPolarHBondContact O-CG 3.35Å; V188-L192 PolarHBondContact O-N 3.14Å; V189-L192 CarbonylContact O-C 3.54Å; V189-L192 WeakPolarHBondContact O-CB 3.25Å; V189-L192 PolarHBondContact O-N 2.8Å; L192-K194 VanDerWaalsContact C-N 3.3Å; L192-K194 PolarHBondContact O-N 3.19Å; L192-E195 PolarHBondContact O-N 3.4Å; L192-F196 HydrophobicContact CD2-CD2 4.05Å; L192-F196 HydrophobicContact CD2-CE2 4.26Å; L192-F196 WeakPolarHBondContact O-CA 3.19Å; L192-F196 WeakPolarHBondContact O-CB 3.37Å; L192-F196 PolarHBondContact O-N 3.22Å; L192-I200 HydrophobicContact CB-CD1 4.44Å; L192-V207 HydrophobicContact CD1-CG1 4.09Å; L192-V207 HydrophobicContact CD1-CG2 3.77Å
193	E	96.2	Very high	96.4	Very high	88 Å²	88	59.3 Å²	59.3	41%	0.411	32%	0.32	S	S	.	.	H	α-helix	trans	-64.2	-37.5	175.4	-72.7	-177.5	143.5	0	0	111.6	V189 S197 I200	V189-E193 HydrophobicContact CG1-CG 4.17Å; V189-E193 WeakPolarHBondContact O-CG 3.29Å; V189-E193 PolarHBondContact O-N 2.89Å; E193-S197 WeakPolarHBondContact O-CA 3.33Å; E193-S197 WeakPolarHBondContact O-CB 3.27Å; E193-S197 PolarHBondContact O-N 3.14Å; E193-I200 HydrophobicContact CG-CD1 4.12Å
194	K	96.4	Very high	96.5	Very high	157 Å²	157	53.2 Å²	53.2	68%	0.683	29%	0.287	S	S	*	.	H	α-helix	trans	-62.5	-46.3	176.7	-175.9	-175.8	172.4	-166.4	0	112.2	A190 N191 L192	A190-K194 WeakPolarHBondContact O-CB 3.34Å; A190-K194 PolarHBondContact O-N 2.84Å; N191-K194 PolarHBondContact O-N 3.06Å; L192-K194 VanDerWaalsContact C-N 3.3Å; L192-K194 PolarHBondContact O-N 3.19Å
195	E	96.3	Very high	96.6	Very high	93 Å²	93	50.7 Å²	50.7	44%	0.435	28%	0.277	S	S	.	.	H	α-helix	trans	-87.4	-35.6	-174.9	-61.1	-59.1	150.3	0	0	113.2	N191 L192	N191-E195 PolarHBondContact O-N 3.39Å; L192-E195 PolarHBondContact O-N 3.4Å
196	F	97.2	Very high	96.7	Very high	5 Å²	5	50.6 Å²	50.6	2%	0.022	28%	0.277	C	S	.	.	H	α-helix	trans	-120.7	27.4	-170.5	-57.7	-74.3	0	0	0	113.9	I153 L156 H157 I160 L192 K198 E199 I200	I153-F196 HydrophobicContact CG2-CE2 4.3Å; I153-F196 HydrophobicContact CG2-CZ 4.4Å; L156-F196 HydrophobicContact CB-CE1 4.07Å; L156-F196 HydrophobicContact CB-CE2 3.79Å; L156-F196 HydrophobicContact CB-CZ 3.48Å; L156-F196 VanDerWaalsContact CB-CZ 3.48Å; L156-F196 HydrophobicContact CD1-CD2 4.04Å; L156-F196 HydrophobicContact CD1-CE2 3.74Å; L156-F196 HydrophobicContact CD1-CZ 4.31Å; L156-F196 HydrophobicContact CG-CE2 4.45Å; H157-F196 AromaticContact CD2-CZ 3.79Å; H157-F196 AromaticContact CE1-CE1 3.7Å; H157-F196 AromaticContact CE1-CZ 3.79Å; H157-F196 AromaticContact CG-CZ 3.99Å; H157-F196 AromaticContact ND1-CE1 3.8Å; H157-F196 AromaticContact NE2-CZ 3.66Å; I160-F196 HydrophobicContact CD1-CD1 3.75Å; I160-F196 HydrophobicContact CD1-CE1 3.81Å; L192-F196 HydrophobicContact CD2-CD2 4.05Å; L192-F196 HydrophobicContact CD2-CE2 4.26Å; L192-F196 WeakPolarHBondContact O-CA 3.19Å; L192-F196 WeakPolarHBondContact O-CB 3.37Å; L192-F196 PolarHBondContact O-N 3.22Å; F196-K198 PolarHBondContact O-N 3.41Å; F196-K198 VanDerWaalsContact O-N 3.15Å; F196-E199 WeakPolarHBondContact CA-OE2 3.47Å; F196-E199 HydrophobicContact CB-CB 4.36Å; F196-E199 PolarHBondContact O-N 3.25Å; F196-E199 VanDerWaalsContact O-N 3.1Å; F196-I200 WeakPolarHBondContact O-CG1 3.03Å; F196-I200 PolarHBondContact O-N 2.7Å
197	S	96.6	Very high	96.7	Very high	66 Å²	66	46 Å²	46	46%	0.462	26%	0.255	S	S	.	.	H	α-helix	trans	-50.7	-38.8	179.9	50.2	0	0	0	0	113.9	E193 S201	E193-S197 WeakPolarHBondContact O-CA 3.33Å; E193-S197 WeakPolarHBondContact O-CB 3.27Å; E193-S197 PolarHBondContact O-N 3.14Å; S197-S201 VanDerWaalsContact O-CB 3.24Å; S197-S201 WeakPolarHBondContact O-CB 3.49Å; S197-S201 PolarHBondContact O-N 3.29Å; S197-S201 PolarHBondContact O-OG 2.98Å
198	K	96.3	Very high	96.8	Very high	158 Å²	158	44.3 Å²	44.3	69%	0.687	24%	0.238	S	C	*	.	H	α-helix	trans	-69.3	-43.7	179.6	-68.4	178.7	-177.5	172.6	0	111.4	F196 S201 S202	F196-K198 PolarHBondContact O-N 3.41Å; F196-K198 VanDerWaalsContact O-N 3.15Å; K198-S201 WeakPolarHBondContact CA-OG 3.35Å; K198-S201 PolarHBondContact O-OG 2.54Å; K198-S201 VanDerWaalsContact O-OG 3.06Å; K198-S202 VanDerWaalsContact O-CB 3.26Å; K198-S202 WeakPolarHBondContact O-CB 3.2Å; K198-S202 PolarHBondContact O-N 3.44Å; K198-S202 PolarHBondContact O-OG 2.96Å
199	E	97.4	Very high	96.9	Very high	41 Å²	41	43.6 Å²	43.6	19%	0.192	23%	0.234	C	C	.	.	H	α-helix	trans	-69.5	-40.3	-178.5	-67.9	68.5	-149.5	0	0	110.9	I160 F196 S202 G203 L204 V205	I160-E199 HydrophobicContact CD1-CG 4.25Å; I160-E199 HydrophobicContact CG2-CG 3.98Å; F196-E199 WeakPolarHBondContact CA-OE2 3.47Å; F196-E199 HydrophobicContact CB-CB 4.36Å; F196-E199 PolarHBondContact O-N 3.25Å; F196-E199 VanDerWaalsContact O-N 3.1Å; E199-S202 PolarHBondContact O-N 2.77Å; E199-S202 PolarHBondContact O-OG 3.17Å; E199-G203 PolarHBondContact O-N 2.03Å; E199-L204 HydrophobicContact CB-CB 4.35Å; E199-L204 HydrophobicContact CB-CD2 4.25Å; E199-L204 HydrophobicContact CG-CD2 3.96Å; E199-L204 PolarHBondContact O-N 2.85Å; E199-V205 HydrophobicContact CB-CB 4.37Å; E199-V205 HydrophobicContact CB-CG2 3.84Å; E199-V205 PolarHBondContact O-N 3.42Å
200	I	97.3	Very high	96.9	Very high	13 Å²	13	43.3 Å²	43.3	7%	0.067	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-51.6	173.4	-67.2	169	0	0	0	110.7	I128 L192 E193 F196 S202 G203 V205	I128-I200 HydrophobicContact CG2-CG2 3.74Å; L192-I200 HydrophobicContact CB-CD1 4.44Å; E193-I200 HydrophobicContact CG-CD1 4.12Å; F196-I200 WeakPolarHBondContact O-CG1 3.03Å; F196-I200 PolarHBondContact O-N 2.7Å; I200-S202 VanDerWaalsContact C-N 3.26Å; I200-S202 PolarHBondContact O-N 2.71Å; I200-G203 PolarHBondContact O-N 2.99Å; I200-V205 WeakPolarHBondContact CA-O 3.36Å; I200-V205 HydrophobicContact CG1-CB 4.03Å; I200-V205 HydrophobicContact CG1-CG1 4.07Å
201	S	95.3	Very high	96.8	Very high	78 Å²	78	41.7 Å²	41.7	55%	0.545	22%	0.218	S	C	.	.	H	α-helix	trans	-66.6	-25.4	-179.7	58.7	0	0	0	0	113.5	N130 S197 K198 G203	N130-S201 PolarHBondContact ND2-O 2.87Å; S197-S201 VanDerWaalsContact O-CB 3.24Å; S197-S201 WeakPolarHBondContact O-CB 3.49Å; S197-S201 PolarHBondContact O-N 3.29Å; S197-S201 PolarHBondContact O-OG 2.98Å; K198-S201 WeakPolarHBondContact CA-OG 3.35Å; K198-S201 PolarHBondContact O-OG 2.54Å; K198-S201 VanDerWaalsContact O-OG 3.06Å; S201-G203 VanDerWaalsContact C-N 3.3Å
202	S	95.2	Very high	96.8	Very high	55 Å²	55	44.7 Å²	44.7	39%	0.385	23%	0.228	S	C	.	.	H	α-helix	trans	-73.5	-22.9	171	77.1	0	0	0	0	112.6	R132 K198 E199 I200 L204	R132-S202 PolarHBondContact NH2-O 3.47Å; K198-S202 VanDerWaalsContact O-CB 3.26Å; K198-S202 WeakPolarHBondContact O-CB 3.2Å; K198-S202 PolarHBondContact O-N 3.44Å; K198-S202 PolarHBondContact O-OG 2.96Å; E199-S202 PolarHBondContact O-N 2.77Å; E199-S202 PolarHBondContact O-OG 3.17Å; I200-S202 VanDerWaalsContact C-N 3.26Å; I200-S202 PolarHBondContact O-N 2.71Å; S202-L204 WeakPolarHBondContact OG-CB 3.26Å; S202-L204 PolarHBondContact OG-N 3.45Å
203	G	95.4	Very high	96.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	16.4	-170.5	0	0	0	0	0	114.2	R132 E199 I200 S201	R132-G203 PolarHBondContact NE-O 3.04Å; E199-G203 PolarHBondContact O-N 2.03Å; I200-G203 PolarHBondContact O-N 2.99Å; S201-G203 VanDerWaalsContact C-N 3.3Å
204	L	97.6	Very high	96.6	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	22%	0.219	C	C	.	.	S	Bend	trans	-73.7	-41.8	170	172.7	61.6	0	0	0	110.8	I160 L163 K168 C171 V172 I173 E199 S202	I160-L204 HydrophobicContact CG1-CD2 4.47Å; I160-L204 HydrophobicContact CG2-CD2 4.38Å; L163-L204 HydrophobicContact CD1-CD1 4.48Å; K168-L204 HydrophobicContact CB-CD2 4.15Å; K168-L204 HydrophobicContact CD-CD2 4.11Å; K168-L204 HydrophobicContact CG-CD2 3.98Å; C171-L204 WeakPolarHBondContact SG-CD1 3.41Å; V172-L204 CarbonylContact C-O 3.48Å; V172-L204 WeakPolarHBondContact CA-O 3.39Å; I173-L204 PolarHBondContact N-O 3.14Å; E199-L204 HydrophobicContact CB-CB 4.35Å; E199-L204 HydrophobicContact CB-CD2 4.25Å; E199-L204 HydrophobicContact CG-CD2 3.96Å; E199-L204 PolarHBondContact O-N 2.85Å; S202-L204 WeakPolarHBondContact OG-CB 3.26Å; S202-L204 PolarHBondContact OG-N 3.45Å
205	V	98.4	Very high	96.6	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.2	178.5	177.2	0	0	0	0	109.4	I160 I173 V175 E199 I200 V207	I160-V205 HydrophobicContact CD1-CG2 3.86Å; I173-V205 HydrophobicContact CB-CG2 4.34Å; I173-V205 CarbonylContact O-C 3.53Å; I173-V205 WeakPolarHBondContact O-CA 3.47Å; V175-V205 HydrophobicContact CG2-CG1 4.27Å; E199-V205 HydrophobicContact CB-CB 4.37Å; E199-V205 HydrophobicContact CB-CG2 3.84Å; E199-V205 PolarHBondContact O-N 3.42Å; I200-V205 WeakPolarHBondContact CA-O 3.36Å; I200-V205 HydrophobicContact CG1-CB 4.03Å; I200-V205 HydrophobicContact CG1-CG1 4.07Å; V205-V207 HydrophobicContact CG1-CG2 4.37Å
206	E	97.8	Very high	96.5	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	143	170	-64.1	-174.3	-170.3	0	0	109.3	I128 G131 R132 V172 I173 V175 Y248 K252	I128-E206 CarbonylContact O-C 3.6Å; I128-E206 WeakPolarHBondContact O-CA 3.25Å; G131-E206 WeakPolarHBondContact CA-OE1 3.44Å; G131-E206 PolarHBondContact N-OE1 2.86Å; R132-E206 PolarHBondContact N-OE1 3.16Å; V172-E206 HydrophobicContact CG1-CG 4.09Å; I173-E206 PolarHBondContact O-N 3.36Å; V175-E206 PolarHBondContact N-O 3.4Å; E206-Y248 WeakPolarHBondContact OE2-CE1 3.48Å; E206-Y248 PolarHBondContact OE2-OH 3.18Å; E206-K252 IonicContact OE1-NZ 3.05Å; E206-K252 PolarHBondContact OE1-NZ 2.98Å; E206-K252 WeakPolarHBondContact OE2-CE 3.48Å; E206-K252 IonicContact OE2-NZ 3.28Å; E206-K252 PolarHBondContact OE2-NZ 3Å
207	V	98.3	Very high	96.3	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127	178.8	-170.1	0	0	0	0	108.9	Q127 I128 V175 I177 V189 L192 V205	Q127-V207 CarbonylContact C-O 3.52Å; Q127-V207 WeakPolarHBondContact CA-O 3.35Å; I128-V207 HydrophobicContact CB-CB 4.29Å; I128-V207 PolarHBondContact N-O 2.98Å; I128-V207 PolarHBondContact O-N 2.95Å; V175-V207 HydrophobicContact CB-CG2 4.43Å; V175-V207 CarbonylContact O-C 3.57Å; V175-V207 WeakPolarHBondContact O-CA 3.47Å; I177-V207 HydrophobicContact CD1-CG1 3.5Å; I177-V207 HydrophobicContact CG1-CG1 4.04Å; V189-V207 HydrophobicContact CG2-CG1 4.01Å; L192-V207 HydrophobicContact CD1-CG1 4.09Å; L192-V207 HydrophobicContact CD1-CG2 3.77Å; V205-V207 HydrophobicContact CG1-CG2 4.37Å
208	I	98.1	Very high	96.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	151.6	178.4	56.2	165.2	0	0	0	111.5	P124 V126 Q127 V174 V175 F176 I177 F244 L245 Y248	P124-I208 HydrophobicContact CB-CB 4.25Å; P124-I208 HydrophobicContact CB-CG2 4.28Å; P124-I208 HydrophobicContact CG-CB 4.47Å; P124-I208 HydrophobicContact CG-CG2 4.2Å; V126-I208 CarbonylContact O-C 3.44Å; V126-I208 VanDerWaalsContact O-CA 3.24Å; V126-I208 WeakPolarHBondContact O-CA 3.36Å; Q127-I208 HydrophobicContact CB-CG2 4.44Å; Q127-I208 HydrophobicContact CG-CG2 4.13Å; V174-I208 HydrophobicContact CG1-CD1 3.82Å; V174-I208 HydrophobicContact CG1-CG1 3.89Å; V175-I208 PolarHBondContact O-N 3.16Å; F176-I208 WeakPolarHBondContact CA-O 3.48Å; F176-I208 HydrophobicContact CB-CD1 4.36Å; F176-I208 HydrophobicContact CB-CG1 4.14Å; F176-I208 HydrophobicContact CD2-CD1 3.8Å; F176-I208 HydrophobicContact CD2-CG1 3.92Å; I177-I208 PolarHBondContact N-O 3.27Å; I208-F244 HydrophobicContact CD1-CD1 4.27Å; I208-F244 HydrophobicContact CD1-CE1 4.19Å; I208-L245 HydrophobicContact CD1-CD1 4.46Å; I208-Y248 HydrophobicContact CD1-CD1 3.65Å; I208-Y248 HydrophobicContact CD1-CD2 4.2Å; I208-Y248 HydrophobicContact CD1-CE1 4.13Å; I208-Y248 HydrophobicContact CD1-CG 3.67Å; I208-Y248 HydrophobicContact CG2-CD1 4.44Å; I208-Y248 HydrophobicContact CG2-CD2 4.37Å; I208-Y248 HydrophobicContact CG2-CE1 3.88Å; I208-Y248 HydrophobicContact CG2-CE2 3.85Å
209	S	97.9	Very high	95.8	Very high	4 Å²	4	31.1 Å²	31.1	3%	0.028	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	148.2	166.6	74.1	0	0	0	0	111	P124 A125 V126 I177	P124-S209 CarbonylContact C-O 3.11Å; P124-S209 WeakPolarHBondContact CA-O 3.44Å; A125-S209 PolarHBondContact N-O 3.24Å; V126-S209 WeakPolarHBondContact CB-OG 3.31Å; V126-S209 PolarHBondContact N-OG 2.92Å; V126-S209 PolarHBondContact O-N 3.27Å; I177-S209 WeakPolarHBondContact O-CB 3.3Å
210	P	96.9	Very high	95.4	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.013	20%	0.203	C	C	.	.			trans	-78	148.8	177.7	33.7	-33	0	0	0	110.6	F176 I177 Y214 Y215 F244	F176-P210 HydrophobicContact CE2-CB 3.96Å; F176-P210 VanDerWaalsContact CE2-CD 3.5Å; F176-P210 HydrophobicContact CE2-CG 3.82Å; F176-P210 HydrophobicContact CZ-CB 4.01Å; F176-P210 HydrophobicContact CZ-CG 3.57Å; I177-P210 WeakPolarHBondContact O-CD 3.48Å; P210-Y214 HydrophobicContact CB-CD1 4.1Å; P210-Y215 HydrophobicContact CB-CE2 4.09Å; P210-Y215 HydrophobicContact CG-CE2 3.67Å; P210-Y215 VanDerWaalsContact CG-OH 3.25Å; P210-Y215 WeakPolarHBondContact CG-OH 3.5Å; P210-F244 HydrophobicContact CB-CD2 4.24Å; P210-F244 HydrophobicContact CB-CE2 4.18Å; P210-F244 HydrophobicContact CB-CZ 4.4Å
211	P	95.8	Very high	95.1	Very high	18 Å²	18	36.5 Å²	36.5	12%	0.117	21%	0.207	C	C	.	.			trans	-71.5	150.3	168.4	32.1	-33.7	0	0	0	110.1	S121 R123 A125 S213 Y214	S121-P211 WeakPolarHBondContact O-CG 3.27Å; R123-P211 VanDerWaalsContact O-CD 3.22Å; R123-P211 WeakPolarHBondContact O-CD 3.38Å; R123-P211 WeakPolarHBondContact O-CG 3.19Å; A125-P211 HydrophobicContact CB-CB 4.16Å; P211-S213 PolarHBondContact O-N 2.82Å; P211-S213 VanDerWaalsContact O-N 3.14Å; P211-Y214 WeakPolarHBondContact O-CB 3.37Å; P211-Y214 PolarHBondContact O-N 3.25Å
212	E	94.9	Very high	94.9	Very high	153 Å²	153	40.7 Å²	40.7	72%	0.715	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-53.7	-38.7	176.3	-174	-178.3	-173.5	0	0	111.9	T180 Y214 Y215	T180-E212 HydrophobicContact CG2-CB 4.24Å; T180-E212 HydrophobicContact CG2-CG 4.5Å; E212-Y214 PolarHBondContact O-N 3.1Å; E212-Y214 VanDerWaalsContact O-N 3.1Å; E212-Y215 PolarHBondContact O-N 3.24Å; E212-Y215 VanDerWaalsContact O-N 3.17Å
213	S	93.6	Very high	94.7	Very high	32 Å²	32	43.2 Å²	43.2	22%	0.224	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-63.4	-13.7	178.6	67.5	0	0	0	0	115.3	H114 N118 S121 P211	H114-S213 PolarHBondContact CD2-O 2.99Å; N118-S213 WeakPolarHBondContact ND2-CB 3.16Å; S121-S213 WeakPolarHBondContact CA-OG 3.33Å; S121-S213 WeakPolarHBondContact CB-OG 3.33Å; S121-S213 VanDerWaalsContact OG-CB 3.22Å; S121-S213 WeakPolarHBondContact OG-CB 3.3Å; S121-S213 PolarHBondContact OG-O 2.97Å; S121-S213 PolarHBondContact OG-OG 3.43Å; P211-S213 PolarHBondContact O-N 2.82Å; P211-S213 VanDerWaalsContact O-N 3.14Å
214	Y	95.6	Very high	94.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-65.8	-40.6	173.4	175.5	-117.6	0	0	0	111.4	H114 L115 S121 L122 P210 P211 E212 L240 F244 M247	H114-Y214 PolarHBondContact NE2-O 3.12Å; L115-Y214 HydrophobicContact CD2-CD2 4.11Å; L115-Y214 WeakPolarHBondContact CD2-O 3.37Å; S121-Y214 WeakPolarHBondContact O-CB 3.28Å; L122-Y214 HydrophobicContact CD2-CD2 4.12Å; L122-Y214 HydrophobicContact CD2-CE2 4.15Å; P210-Y214 HydrophobicContact CB-CD1 4.1Å; P211-Y214 WeakPolarHBondContact O-CB 3.37Å; P211-Y214 PolarHBondContact O-N 3.25Å; E212-Y214 PolarHBondContact O-N 3.1Å; E212-Y214 VanDerWaalsContact O-N 3.1Å; Y214-L240 HydrophobicContact CE1-CB 4.02Å; Y214-L240 WeakPolarHBondContact CE1-O 3.47Å; Y214-L240 PolarHBondContact OH-O 3.19Å; Y214-F244 AromaticContact CD1-CD2 3.82Å; Y214-F244 HydrophobicContact CD1-CD2 3.82Å; Y214-F244 AromaticContact CD2-CD2 3.75Å; Y214-F244 HydrophobicContact CD2-CD2 3.75Å; Y214-F244 HydrophobicContact CD2-CE2 4.15Å; Y214-F244 HydrophobicContact CE1-CB 3.82Å; Y214-F244 AromaticContact CE1-CD2 3.74Å; Y214-F244 HydrophobicContact CE1-CD2 3.74Å; Y214-F244 HydrophobicContact CE1-CG 4.22Å; Y214-F244 AromaticContact CE2-CD2 3.7Å; Y214-F244 HydrophobicContact CE2-CD2 3.7Å; Y214-F244 HydrophobicContact CE2-CE2 4.47Å; Y214-F244 AromaticContact CG-CD2 3.82Å; Y214-F244 HydrophobicContact CG-CD2 3.82Å; Y214-F244 HydrophobicContact CG-CE2 4.18Å; Y214-F244 AromaticContact CZ-CD2 3.68Å; Y214-F244 PolarHBondContact OH-N 3.02Å; Y214-M247 HydrophobicContact CE2-CE 4.3Å
215	Y	96.1	Very high	93.8	Very high	28 Å²	28	49.3 Å²	49.3	11%	0.11	25%	0.25	C	C	.	.	S	Bend	trans	-80.4	136.6	-174.2	-61.9	-73.9	0	0	0	111.8	H114 T180 P210 E212 K237 L240 D241	H114-Y215 PolarHBondContact NE2-O 2.77Å; T180-Y215 HydrophobicContact CG2-CD2 3.74Å; T180-Y215 HydrophobicContact CG2-CE2 3.59Å; P210-Y215 HydrophobicContact CB-CE2 4.09Å; P210-Y215 HydrophobicContact CG-CE2 3.67Å; P210-Y215 VanDerWaalsContact CG-OH 3.25Å; P210-Y215 WeakPolarHBondContact CG-OH 3.5Å; E212-Y215 PolarHBondContact O-N 3.24Å; E212-Y215 VanDerWaalsContact O-N 3.17Å; Y215-K237 HydrophobicContact CD1-CG 4.35Å; Y215-K237 HydrophobicContact CE1-CG 3.87Å; Y215-L240 HydrophobicContact CD1-CB 4.35Å; Y215-L240 HydrophobicContact CD1-CD1 4.05Å; Y215-L240 HydrophobicContact CE1-CB 4.24Å; Y215-D241 VanDerWaalsContact CE1-OD1 3.23Å; Y215-D241 WeakPolarHBondContact CE1-OD1 3.27Å; Y215-D241 VanDerWaalsContact CZ-OD1 3.26Å; Y215-D241 PolarHBondContact OH-OD1 3.28Å
216	P	94.4	Very high	93.3	Very high	19 Å²	19	53.4 Å²	53.4	12%	0.123	29%	0.292	C	S	.	.			trans	-71.2	171.7	168.5	30.7	-32.3	0	0	0	110.3	L112 L218 L240 Y316	L112-P216 HydrophobicContact CD2-CG 4.19Å; P216-L218 HydrophobicContact CG-CD2 3.94Å; P216-L218 WeakPolarHBondContact O-CG 3.44Å; P216-L218 PolarHBondContact O-N 2.95Å; P216-L218 VanDerWaalsContact O-N 3.12Å; P216-L240 VanDerWaalsContact CD-CD1 3.46Å; P216-L240 HydrophobicContact CG-CD1 3.95Å; P216-Y316 HydrophobicContact CG-CE2 4.09Å
217	D	92.6	Very high	92.9	Very high	101 Å²	101	54.6 Å²	54.6	54%	0.54	30%	0.298	S	S	.	.			trans	-61.7	115.8	166.4	177.7	16.4	0	0	0	110.3	T219 N220	D217-T219 VanDerWaalsContact CG-OG1 3.26Å; D217-T219 VanDerWaalsContact OD1-CB 3.31Å; D217-T219 WeakPolarHBondContact OD1-CB 3.45Å; D217-T219 WeakPolarHBondContact OD1-CG2 3.29Å; D217-T219 PolarHBondContact OD1-N 3.33Å; D217-T219 PolarHBondContact OD1-OG1 3.1Å; D217-T219 PolarHBondContact OD2-OG1 3.22Å; D217-N220 PolarHBondContact OD2-ND2 3.43Å
218	L	92.9	Very high	92.6	Very high	16 Å²	16	57.3 Å²	57.3	8%	0.084	32%	0.317	C	S	.	.			trans	-100.7	7.9	-179.9	-59.7	178.9	0	0	0	113.1	P216 L221 R233 T236 K237	P216-L218 HydrophobicContact CG-CD2 3.94Å; P216-L218 WeakPolarHBondContact O-CG 3.44Å; P216-L218 PolarHBondContact O-N 2.95Å; P216-L218 VanDerWaalsContact O-N 3.12Å; L218-L221 HydrophobicContact CB-CD1 4.14Å; L218-L221 HydrophobicContact CD2-CD1 4.21Å; L218-L221 WeakPolarHBondContact O-CD1 3.39Å; L218-L221 WeakPolarHBondContact O-CG 3.41Å; L218-R233 HydrophobicContact CB-CG 4.07Å; L218-R233 HydrophobicContact CD1-CG 4.37Å; L218-T236 HydrophobicContact CD2-CG2 3.8Å; L218-K237 HydrophobicContact CD1-CB 3.95Å; L218-K237 HydrophobicContact CD1-CG 4.33Å
219	T	90.8	Very high	92.2	Very high	89 Å²	89	63.2 Å²	63.2	55%	0.546	34%	0.343	S	S	.	.	S	Bend	trans	-77.3	-33.6	-178.5	62.1	0	0	0	0	112.8	D217	D217-T219 VanDerWaalsContact CG-OG1 3.26Å; D217-T219 VanDerWaalsContact OD1-CB 3.31Å; D217-T219 WeakPolarHBondContact OD1-CB 3.45Å; D217-T219 WeakPolarHBondContact OD1-CG2 3.29Å; D217-T219 PolarHBondContact OD1-N 3.33Å; D217-T219 PolarHBondContact OD1-OG1 3.1Å; D217-T219 PolarHBondContact OD2-OG1 3.22Å
220	N	88.2	Confident	91.9	Very high	139 Å²	139	69 Å²	69	74%	0.743	37%	0.369	S	S	*	.	S	Bend	trans	-103.7	46.5	-173.6	-66.4	-50.4	0	0	0	112.8	D217	D217-N220 PolarHBondContact OD2-ND2 3.43Å
221	L	91.3	Very high	91.6	Very high	27 Å²	27	72.9 Å²	72.9	14%	0.141	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-85.3	143	177.8	-63.4	172.1	0	0	0	111.7	L218 V232 R233 T236 K317	L218-L221 HydrophobicContact CB-CD1 4.14Å; L218-L221 HydrophobicContact CD2-CD1 4.21Å; L218-L221 WeakPolarHBondContact O-CD1 3.39Å; L218-L221 WeakPolarHBondContact O-CG 3.41Å; L221-V232 HydrophobicContact CB-CG1 3.75Å; L221-V232 HydrophobicContact CD1-CG1 4.14Å; L221-R233 HydrophobicContact CD1-CB 4.22Å; L221-T236 HydrophobicContact CD1-CG2 4.06Å; L221-T236 HydrophobicContact CD2-CG2 4.16Å; L221-K317 HydrophobicContact CD2-CD 4.25Å; L221-K317 HydrophobicContact CD2-CG 3.98Å
222	K	90.4	Very high	91.5	Very high	166 Å²	166	72 Å²	72	72%	0.722	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-74.9	129.4	175	-177.2	-179.8	176.5	-176.1	0	110.2	T224	K222-T224 HydrophobicContact CG-CG2 4.48Å
223	E	90.9	Very high	91.5	Very high	108 Å²	108	71.5 Å²	71.5	51%	0.505	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-68.2	133.6	171.7	-68.7	169.2	-160.9	0	0	110.9	K229	E223-K229 HydrophobicContact CG-CG 3.94Å; E223-K229 WeakPolarHBondContact OE1-CE 3.4Å; E223-K229 WeakPolarHBondContact OE1-CG 3.35Å
224	T	88.4	Confident	91.4	Very high	25 Å²	25	73.8 Å²	73.8	15%	0.153	37%	0.374	C	S	.	.			trans	-140.3	158.2	178.9	66.2	0	0	0	0	110.3	K222 G226 D227 R235	K222-T224 HydrophobicContact CG-CG2 4.48Å; T224-G226 PolarHBondContact O-N 2.95Å; T224-D227 WeakPolarHBondContact O-CB 3.41Å; T224-D227 PolarHBondContact O-N 3.1Å; T224-R235 PolarHBondContact OG1-NH2 2.92Å
225	F	86.7	Confident	91.4	Very high	106 Å²	106	73.8 Å²	73.8	47%	0.465	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	18	177.6	-43.6	-63.5	0	0	0	115.8	D227 E318 K319 W323	F225-D227 PolarHBondContact O-N 3.27Å; F225-E318 WeakPolarHBondContact CE2-O 3.25Å; F225-K319 HydrophobicContact CE2-CG 4.08Å; F225-K319 HydrophobicContact CZ-CG 3.81Å; F225-W323 HydrophobicContact CD1-CZ3 4.25Å; F225-W323 HydrophobicContact CE1-CZ3 4.09Å; F225-W323 HydrophobicContact CZ-CZ3 4.34Å
226	G	87.3	Confident	91.4	Very high	86 Å²	86	72.5 Å²	72.5	89%	0.887	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	12.5	-174.4	0	0	0	0	0	114	T224	T224-G226 PolarHBondContact O-N 2.95Å
227	D	89.3	Confident	91.5	Very high	26 Å²	26	73.6 Å²	73.6	14%	0.139	37%	0.371	C	S	.	.			trans	-73.7	143.9	176	-71.3	-20.7	0	0	0	111	T224 F225 R231 V232 R235	T224-D227 WeakPolarHBondContact O-CB 3.41Å; T224-D227 PolarHBondContact O-N 3.1Å; F225-D227 PolarHBondContact O-N 3.27Å; D227-R231 HydrophobicContact CB-CB 4.12Å; D227-R231 HydrophobicContact CB-CG 3.91Å; D227-R231 VanDerWaalsContact CG-CD 3.42Å; D227-R231 WeakPolarHBondContact OD1-CD 3.18Å; D227-R231 IonicContact OD1-CZ 2.85Å; D227-R231 IonicContact OD1-NE 3.36Å; D227-R231 PolarHBondContact OD1-NE 2.67Å; D227-R231 IonicContact OD2-NE 2.73Å; D227-R231 PolarHBondContact OD2-NE 2.89Å; D227-V232 HydrophobicContact CB-CG2 3.76Å; D227-R235 IonicContact OD2-NE 2.87Å
228	S	91.8	Very high	91.6	Very high	59 Å²	59	70.2 Å²	70.2	41%	0.413	35%	0.352	S	S	.	.			trans	-66.2	161.7	170.6	83.8	0	0	0	0	111.8	E230 R231 V232	S228-E230 WeakPolarHBondContact CB-OE2 3.33Å; S228-E230 PolarHBondContact O-N 3.21Å; S228-E230 PolarHBondContact OG-N 2.87Å; S228-E230 PolarHBondContact OG-OE2 2.97Å; S228-R231 PolarHBondContact O-N 2.88Å; S228-R231 VanDerWaalsContact O-N 3.09Å; S228-R231 PolarHBondContact OG-N 2.63Å; S228-V232 WeakPolarHBondContact O-CG2 3.07Å; S228-V232 PolarHBondContact O-N 2.9Å
229	K	91.4	Very high	91.8	Very high	124 Å²	124	69.4 Å²	69.4	54%	0.539	35%	0.348	S	S	.	.	H	α-helix	trans	-55.8	-39.5	176	-66.4	-167.7	178	-179.9	0	112.6	E223 R231 V232 R233	E223-K229 HydrophobicContact CG-CG 3.94Å; E223-K229 WeakPolarHBondContact OE1-CE 3.4Å; E223-K229 WeakPolarHBondContact OE1-CG 3.35Å; K229-R231 VanDerWaalsContact C-N 3.35Å; K229-V232 PolarHBondContact O-N 3.41Å; K229-R233 VanDerWaalsContact O-CB 3.3Å; K229-R233 WeakPolarHBondContact O-CB 3.25Å; K229-R233 PolarHBondContact O-N 3.16Å
230	E	90.5	Very high	92.1	Very high	124 Å²	124	65.2 Å²	65.2	58%	0.579	32%	0.322	S	S	*	.	H	α-helix	trans	-62.7	-44.5	178.6	-58.7	72.4	-153.2	0	0	110.5	S228 R233 W234	S228-E230 WeakPolarHBondContact CB-OE2 3.33Å; S228-E230 PolarHBondContact O-N 3.21Å; S228-E230 PolarHBondContact OG-N 2.87Å; S228-E230 PolarHBondContact OG-OE2 2.97Å; E230-R233 PolarHBondContact O-N 3.48Å; E230-W234 VanDerWaalsContact O-CB 3.25Å; E230-W234 WeakPolarHBondContact O-CB 3.33Å; E230-W234 PolarHBondContact O-N 3.01Å
231	R	90.5	Very high	92.6	Very high	84 Å²	84	58.9 Å²	58.9	32%	0.317	29%	0.289	S	S	.	.	H	α-helix	trans	-66.8	-40.3	177.8	178.6	168.8	171.2	73.7	5.8	112.1	D227 S228 K229 W234 R235	D227-R231 HydrophobicContact CB-CB 4.12Å; D227-R231 HydrophobicContact CB-CG 3.91Å; D227-R231 VanDerWaalsContact CG-CD 3.42Å; D227-R231 WeakPolarHBondContact OD1-CD 3.18Å; D227-R231 IonicContact OD1-CZ 2.85Å; D227-R231 IonicContact OD1-NE 3.36Å; D227-R231 PolarHBondContact OD1-NE 2.67Å; D227-R231 IonicContact OD2-NE 2.73Å; D227-R231 PolarHBondContact OD2-NE 2.89Å; S228-R231 PolarHBondContact O-N 2.88Å; S228-R231 VanDerWaalsContact O-N 3.09Å; S228-R231 PolarHBondContact OG-N 2.63Å; K229-R231 VanDerWaalsContact C-N 3.35Å; R231-W234 PolarHBondContact O-N 2.92Å; R231-R235 WeakPolarHBondContact O-CG 3.41Å; R231-R235 PolarHBondContact O-N 3.24Å
232	V	94.1	Very high	92.9	Very high	1 Å²	1	58 Å²	58	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-45.5	175.5	172.5	0	0	0	0	111	L221 D227 S228 K229 R235 T236	L221-V232 HydrophobicContact CB-CG1 3.75Å; L221-V232 HydrophobicContact CD1-CG1 4.14Å; D227-V232 HydrophobicContact CB-CG2 3.76Å; S228-V232 WeakPolarHBondContact O-CG2 3.07Å; S228-V232 PolarHBondContact O-N 2.9Å; K229-V232 PolarHBondContact O-N 3.41Å; V232-R235 WeakPolarHBondContact O-CG 3.23Å; V232-T236 VanDerWaalsContact O-CB 3.26Å; V232-T236 WeakPolarHBondContact O-CB 3.09Å; V232-T236 PolarHBondContact O-N 3.34Å; V232-T236 PolarHBondContact O-OG1 2.91Å
233	R	94.6	Very high	93.2	Very high	141 Å²	141	50.1 Å²	50.1	53%	0.532	25%	0.249	S	C	.	.	H	α-helix	trans	-59.8	-46.9	174.2	178.5	173.9	179.3	-175.8	0.7	111.2	L218 L221 K229 E230 T236 K237	L218-R233 HydrophobicContact CB-CG 4.07Å; L218-R233 HydrophobicContact CD1-CG 4.37Å; L221-R233 HydrophobicContact CD1-CB 4.22Å; K229-R233 VanDerWaalsContact O-CB 3.3Å; K229-R233 WeakPolarHBondContact O-CB 3.25Å; K229-R233 PolarHBondContact O-N 3.16Å; E230-R233 PolarHBondContact O-N 3.48Å; R233-T236 PolarHBondContact O-N 3.24Å; R233-K237 WeakPolarHBondContact O-CB 3.47Å; R233-K237 PolarHBondContact O-N 3.48Å
234	W	92.8	Very high	93.5	Very high	80 Å²	80	45.4 Å²	45.4	30%	0.303	23%	0.227	S	C	.	.	H	α-helix	trans	-58.5	-52.5	179.2	-178.4	93.4	0	0	0	111.8	E230 R231 T236 K237 Q238 S367	E230-W234 VanDerWaalsContact O-CB 3.25Å; E230-W234 WeakPolarHBondContact O-CB 3.33Å; E230-W234 PolarHBondContact O-N 3.01Å; R231-W234 PolarHBondContact O-N 2.92Å; W234-T236 VanDerWaalsContact C-N 3.33Å; W234-T236 PolarHBondContact O-N 3.38Å; W234-K237 PolarHBondContact O-N 3.44Å; W234-Q238 WeakPolarHBondContact O-CB 3.25Å; W234-Q238 PolarHBondContact O-N 2.95Å; W234-S367 PolarHBondContact NE1-OG 2.87Å; W234-S367 VanDerWaalsContact NE1-OG 3.12Å
235	R	93.9	Very high	94	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-67.2	-33.2	-179.7	69.5	-179.9	-179	65.6	5.2	112.9	T224 D227 R231 V232 N239 K317 P320	T224-R235 PolarHBondContact OG1-NH2 2.92Å; D227-R235 IonicContact OD2-NE 2.87Å; R231-R235 WeakPolarHBondContact O-CG 3.41Å; R231-R235 PolarHBondContact O-N 3.24Å; V232-R235 WeakPolarHBondContact O-CG 3.23Å; R235-N239 PolarHBondContact O-N 3.27Å; R235-N239 PolarHBondContact O-ND2 3.03Å; R235-K317 PolarHBondContact NH1-O 3.25Å; R235-K317 PolarHBondContact NH2-O 2.95Å; R235-K317 VanDerWaalsContact NH2-O 3.13Å; R235-P320 HydrophobicContact CB-CB 4.31Å
236	T	96.2	Very high	94.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.4	-43	177.1	-58.1	0	0	0	0	110.8	L218 L221 V232 R233 W234 L240 Y316 K317	L218-T236 HydrophobicContact CD2-CG2 3.8Å; L221-T236 HydrophobicContact CD1-CG2 4.06Å; L221-T236 HydrophobicContact CD2-CG2 4.16Å; V232-T236 VanDerWaalsContact O-CB 3.26Å; V232-T236 WeakPolarHBondContact O-CB 3.09Å; V232-T236 PolarHBondContact O-N 3.34Å; V232-T236 PolarHBondContact O-OG1 2.91Å; R233-T236 PolarHBondContact O-N 3.24Å; W234-T236 VanDerWaalsContact C-N 3.33Å; W234-T236 PolarHBondContact O-N 3.38Å; T236-L240 PolarHBondContact O-N 3.38Å; T236-Y316 HydrophobicContact CG2-CD2 3.49Å; T236-Y316 VanDerWaalsContact CG2-CD2 3.49Å; T236-Y316 HydrophobicContact CG2-CE2 3.72Å; T236-K317 HydrophobicContact CG2-CG 4.02Å
237	K	96.5	Very high	94.8	Very high	42 Å²	42	37.9 Å²	37.9	18%	0.183	17%	0.169	C	C	.	.	H	α-helix	trans	-64	-45.4	175	-173.5	-176.5	170.7	-66.9	0	111.2	G178 Y215 L218 R233 W234 N239 L240 D241	G178-K237 WeakPolarHBondContact O-CE 3.34Å; G178-K237 PolarHBondContact O-NZ 3.45Å; Y215-K237 HydrophobicContact CD1-CG 4.35Å; Y215-K237 HydrophobicContact CE1-CG 3.87Å; L218-K237 HydrophobicContact CD1-CB 3.95Å; L218-K237 HydrophobicContact CD1-CG 4.33Å; R233-K237 WeakPolarHBondContact O-CB 3.47Å; R233-K237 PolarHBondContact O-N 3.48Å; W234-K237 PolarHBondContact O-N 3.44Å; K237-N239 VanDerWaalsContact C-N 3.3Å; K237-N239 PolarHBondContact O-N 2.88Å; K237-L240 WeakPolarHBondContact O-CA 3.28Å; K237-L240 WeakPolarHBondContact O-CB 3.37Å; K237-L240 PolarHBondContact O-N 3.21Å; K237-D241 IonicContact NZ-OD1 3.09Å; K237-D241 PolarHBondContact NZ-OD1 2.85Å; K237-D241 IonicContact NZ-OD2 2.68Å; K237-D241 PolarHBondContact NZ-OD2 3.11Å; K237-D241 VanDerWaalsContact O-CG 3.24Å; K237-D241 PolarHBondContact O-N 2.82Å
238	Q	95.6	Very high	95.1	Very high	30 Å²	30	38.6 Å²	38.6	14%	0.14	17%	0.17	C	C	.	.	H	α-helix	trans	-56	-42.3	178.4	-173.7	-175.1	43.2	0	0	112.5	W234 L240 D241 Y242	W234-Q238 WeakPolarHBondContact O-CB 3.25Å; W234-Q238 PolarHBondContact O-N 2.95Å; Q238-L240 VanDerWaalsContact C-N 3.3Å; Q238-L240 PolarHBondContact O-N 3.41Å; Q238-D241 WeakPolarHBondContact O-CB 3.5Å; Q238-D241 PolarHBondContact O-N 2.95Å; Q238-Y242 HydrophobicContact CG-CD2 4.29Å; Q238-Y242 HydrophobicContact CG-CE1 4.01Å; Q238-Y242 HydrophobicContact CG-CE2 3.78Å; Q238-Y242 PolarHBondContact NE2-OH 2.8Å; Q238-Y242 PolarHBondContact O-N 3.49Å
239	N	97.1	Very high	95.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-57.5	-43.5	174.4	-76.2	-25.8	0	0	0	112.1	R235 K237 C243 I312 Y316 K319 I321	R235-N239 PolarHBondContact O-N 3.27Å; R235-N239 PolarHBondContact O-ND2 3.03Å; K237-N239 VanDerWaalsContact C-N 3.3Å; K237-N239 PolarHBondContact O-N 2.88Å; N239-C243 PolarHBondContact O-N 3.31Å; N239-C243 VanDerWaalsContact O-N 3.1Å; N239-C243 PolarHBondContact O-SG 3.4Å; N239-I312 HydrophobicContact CB-CG2 3.8Å; N239-Y316 PolarHBondContact ND2-O 3.27Å; N239-K319 PolarHBondContact ND2-O 3.43Å; N239-I321 VanDerWaalsContact OD1-CA 3.29Å; N239-I321 WeakPolarHBondContact OD1-CA 3.36Å; N239-I321 VanDerWaalsContact OD1-CB 3.27Å; N239-I321 WeakPolarHBondContact OD1-CB 3.45Å; N239-I321 PolarHBondContact OD1-N 2.91Å; N239-I321 VanDerWaalsContact OD1-N 3.12Å
240	L	97.7	Very high	95.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-70.1	-37.2	178.6	-64.8	175.2	0	0	0	112.4	L112 Y214 Y215 P216 T236 K237 Q238 C243 F244 F313 Y316	L112-L240 HydrophobicContact CD1-CD2 4.16Å; L112-L240 HydrophobicContact CD2-CD2 4.3Å; Y214-L240 HydrophobicContact CE1-CB 4.02Å; Y214-L240 WeakPolarHBondContact CE1-O 3.47Å; Y214-L240 PolarHBondContact OH-O 3.19Å; Y215-L240 HydrophobicContact CD1-CB 4.35Å; Y215-L240 HydrophobicContact CD1-CD1 4.05Å; Y215-L240 HydrophobicContact CE1-CB 4.24Å; P216-L240 VanDerWaalsContact CD-CD1 3.46Å; P216-L240 HydrophobicContact CG-CD1 3.95Å; T236-L240 PolarHBondContact O-N 3.38Å; K237-L240 WeakPolarHBondContact O-CA 3.28Å; K237-L240 WeakPolarHBondContact O-CB 3.37Å; K237-L240 PolarHBondContact O-N 3.21Å; Q238-L240 VanDerWaalsContact C-N 3.3Å; Q238-L240 PolarHBondContact O-N 3.41Å; L240-C243 PolarHBondContact O-N 3.22Å; L240-F244 PolarHBondContact O-N 3.3Å; L240-F313 HydrophobicContact CD2-CD1 4.06Å; L240-F313 HydrophobicContact CD2-CE1 3.85Å; L240-Y316 HydrophobicContact CD1-CD2 3.96Å; L240-Y316 HydrophobicContact CD1-CE2 3.89Å; L240-Y316 HydrophobicContact CD2-CD2 3.67Å; L240-Y316 HydrophobicContact CD2-CE2 4.03Å; L240-Y316 HydrophobicContact CD2-CG 4.02Å; L240-Y316 HydrophobicContact CG-CD2 3.74Å; L240-Y316 HydrophobicContact CG-CE2 4.15Å; L240-Y316 HydrophobicContact CG-CG 4.46Å
241	D	97.7	Very high	95.1	Very high	7 Å²	7	30.5 Å²	30.5	4%	0.037	13%	0.128	C	C	.	.	H	α-helix	trans	-58.8	-48.3	175.9	-68.7	-14.3	0	0	0	110.6	F176 Y215 K237 Q238 F244 L245	F176-D241 HydrophobicContact CD1-CB 4.3Å; F176-D241 HydrophobicContact CE1-CB 3.52Å; F176-D241 HydrophobicContact CZ-CB 4.25Å; Y215-D241 VanDerWaalsContact CE1-OD1 3.23Å; Y215-D241 WeakPolarHBondContact CE1-OD1 3.27Å; Y215-D241 VanDerWaalsContact CZ-OD1 3.26Å; Y215-D241 PolarHBondContact OH-OD1 3.28Å; K237-D241 IonicContact NZ-OD1 3.09Å; K237-D241 PolarHBondContact NZ-OD1 2.85Å; K237-D241 IonicContact NZ-OD2 2.68Å; K237-D241 PolarHBondContact NZ-OD2 3.11Å; K237-D241 VanDerWaalsContact O-CG 3.24Å; K237-D241 PolarHBondContact O-N 2.82Å; Q238-D241 WeakPolarHBondContact O-CB 3.5Å; Q238-D241 PolarHBondContact O-N 2.95Å; D241-F244 PolarHBondContact O-N 3.11Å; D241-L245 PolarHBondContact O-N 2.94Å
242	Y	97.4	Very high	95.2	Very high	9 Å²	9	27.1 Å²	27.1	4%	0.035	12%	0.116	C	C	.	.	H	α-helix	trans	-66.5	-38.4	178	-65.5	-8.8	0	0	0	112.2	P142 Q238 F244 L245 M246 F295 I321	P142-Y242 HydrophobicContact CB-CD1 4.15Å; P142-Y242 HydrophobicContact CB-CE1 3.8Å; P142-Y242 HydrophobicContact CG-CD1 3.9Å; P142-Y242 HydrophobicContact CG-CE1 3.28Å; Q238-Y242 HydrophobicContact CG-CD2 4.29Å; Q238-Y242 HydrophobicContact CG-CE1 4.01Å; Q238-Y242 HydrophobicContact CG-CE2 3.78Å; Q238-Y242 PolarHBondContact NE2-OH 2.8Å; Q238-Y242 PolarHBondContact O-N 3.49Å; Y242-F244 VanDerWaalsContact C-N 3.34Å; Y242-F244 PolarHBondContact O-N 3.48Å; Y242-L245 PolarHBondContact O-N 3.38Å; Y242-M246 WeakPolarHBondContact O-CB 3.05Å; Y242-M246 VanDerWaalsContact O-CG 3.23Å; Y242-M246 WeakPolarHBondContact O-CG 3.21Å; Y242-M246 PolarHBondContact O-N 3.5Å; Y242-F295 AromaticContact CD2-CD1 3.5Å; Y242-F295 HydrophobicContact CD2-CD1 3.5Å; Y242-F295 VanDerWaalsContact CD2-CD1 3.5Å; Y242-F295 AromaticContact CD2-CE1 3.56Å; Y242-F295 HydrophobicContact CD2-CE1 3.56Å; Y242-F295 HydrophobicContact CE2-CB 4.42Å; Y242-F295 AromaticContact CE2-CD1 3.31Å; Y242-F295 HydrophobicContact CE2-CD1 3.31Å; Y242-F295 AromaticContact CE2-CE1 3.91Å; Y242-F295 HydrophobicContact CE2-CE1 3.91Å; Y242-F295 HydrophobicContact CE2-CG 4.23Å; Y242-F295 HydrophobicContact CG-CD1 4.47Å; Y242-F295 HydrophobicContact CG-CE1 4.33Å; Y242-I321 HydrophobicContact CD2-CB 4.19Å; Y242-I321 HydrophobicContact CD2-CD1 4.23Å; Y242-I321 HydrophobicContact CD2-CG1 3.82Å; Y242-I321 HydrophobicContact CD2-CG2 4.17Å; Y242-I321 HydrophobicContact CE2-CB 4.31Å; Y242-I321 HydrophobicContact CE2-CG1 4.26Å; Y242-I321 HydrophobicContact CE2-CG2 3.78Å
243	C	97.2	Very high	95.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.2	-44.7	173.8	-68.5	0	0	0	0	111.8	N239 L240 L245 M246 M247 V309 I312 F313	N239-C243 PolarHBondContact O-N 3.31Å; N239-C243 VanDerWaalsContact O-N 3.1Å; N239-C243 PolarHBondContact O-SG 3.4Å; L240-C243 PolarHBondContact O-N 3.22Å; C243-L245 PolarHBondContact O-N 2.98Å; C243-M246 PolarHBondContact O-N 3.37Å; C243-M247 WeakPolarHBondContact O-CB 3.42Å; C243-M247 WeakPolarHBondContact O-CG 3.19Å; C243-M247 PolarHBondContact O-N 3.01Å; C243-V309 HydrophobicContact CB-CG1 4.13Å; C243-I312 WeakPolarHBondContact SG-CG2 3.42Å; C243-F313 HydrophobicContact CB-CD1 4.4Å; C243-F313 HydrophobicContact CB-CE1 3.6Å; C243-F313 HydrophobicContact CB-CE2 4.36Å; C243-F313 HydrophobicContact CB-CZ 3.58Å
244	F	97.4	Very high	95.1	Very high	8 Å²	8	22.3 Å²	22.3	4%	0.035	10%	0.103	C	C	.	.	H	α-helix	trans	-60.7	-48.2	179.4	-165.8	-79.6	0	0	0	111.1	P124 F176 I208 P210 Y214 L240 D241 Y242 M247 Y248	P124-F244 HydrophobicContact CG-CE1 4.22Å; P124-F244 HydrophobicContact CG-CZ 4.24Å; F176-F244 AromaticContact CD2-CD1 3.86Å; F176-F244 HydrophobicContact CD2-CD1 3.86Å; F176-F244 HydrophobicContact CD2-CE1 4.48Å; F176-F244 HydrophobicContact CE2-CB 3.95Å; F176-F244 AromaticContact CE2-CD1 3.35Å; F176-F244 HydrophobicContact CE2-CD1 3.35Å; F176-F244 HydrophobicContact CE2-CE1 4.04Å; F176-F244 AromaticContact CE2-CG 3.79Å; F176-F244 HydrophobicContact CE2-CG 3.79Å; F176-F244 HydrophobicContact CZ-CB 4.13Å; F176-F244 HydrophobicContact CZ-CD1 4.32Å; F176-F244 HydrophobicContact CZ-CG 4.35Å; I208-F244 HydrophobicContact CD1-CD1 4.27Å; I208-F244 HydrophobicContact CD1-CE1 4.19Å; P210-F244 HydrophobicContact CB-CD2 4.24Å; P210-F244 HydrophobicContact CB-CE2 4.18Å; P210-F244 HydrophobicContact CB-CZ 4.4Å; Y214-F244 AromaticContact CD1-CD2 3.82Å; Y214-F244 HydrophobicContact CD1-CD2 3.82Å; Y214-F244 AromaticContact CD2-CD2 3.75Å; Y214-F244 HydrophobicContact CD2-CD2 3.75Å; Y214-F244 HydrophobicContact CD2-CE2 4.15Å; Y214-F244 HydrophobicContact CE1-CB 3.82Å; Y214-F244 AromaticContact CE1-CD2 3.74Å; Y214-F244 HydrophobicContact CE1-CD2 3.74Å; Y214-F244 HydrophobicContact CE1-CG 4.22Å; Y214-F244 AromaticContact CE2-CD2 3.7Å; Y214-F244 HydrophobicContact CE2-CD2 3.7Å; Y214-F244 HydrophobicContact CE2-CE2 4.47Å; Y214-F244 AromaticContact CG-CD2 3.82Å; Y214-F244 HydrophobicContact CG-CD2 3.82Å; Y214-F244 HydrophobicContact CG-CE2 4.18Å; Y214-F244 AromaticContact CZ-CD2 3.68Å; Y214-F244 PolarHBondContact OH-N 3.02Å; L240-F244 PolarHBondContact O-N 3.3Å; D241-F244 PolarHBondContact O-N 3.11Å; Y242-F244 VanDerWaalsContact C-N 3.34Å; Y242-F244 PolarHBondContact O-N 3.48Å; F244-M247 PolarHBondContact O-N 2.89Å; F244-Y248 WeakPolarHBondContact O-CB 3.43Å; F244-Y248 PolarHBondContact O-N 3.42Å
245	L	97.9	Very high	95.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.1	-46	178.8	175.3	55.7	0	0	0	112.1	P142 V174 F176 I208 D241 Y242 C243 Y248 A249 Y256	P142-L245 HydrophobicContact CB-CD2 4.32Å; P142-L245 HydrophobicContact CG-CD2 4.42Å; V174-L245 HydrophobicContact CB-CD1 3.92Å; V174-L245 HydrophobicContact CG1-CD1 3.55Å; F176-L245 HydrophobicContact CB-CB 4.23Å; F176-L245 HydrophobicContact CB-CD1 4Å; F176-L245 HydrophobicContact CB-CD2 4.12Å; F176-L245 HydrophobicContact CB-CG 4.33Å; F176-L245 HydrophobicContact CG-CB 4.3Å; I208-L245 HydrophobicContact CD1-CD1 4.46Å; D241-L245 PolarHBondContact O-N 2.94Å; Y242-L245 PolarHBondContact O-N 3.38Å; C243-L245 PolarHBondContact O-N 2.98Å; L245-Y248 PolarHBondContact O-N 2.7Å; L245-A249 VanDerWaalsContact O-CB 3.27Å; L245-A249 WeakPolarHBondContact O-CB 3.36Å; L245-A249 PolarHBondContact O-N 3.27Å; L245-Y256 WeakPolarHBondContact CD2-OH 3.31Å; L245-Y256 HydrophobicContact CG-CE2 4.45Å; L245-Y256 WeakPolarHBondContact CG-OH 2.93Å
246	M	96.9	Very high	95.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.6	-43.6	177.2	-73.4	176.2	-175.4	0	0	112	Y242 C243 Y248 A249 Q250 Y256 F295 F300 L305 I308 V309	Y242-M246 WeakPolarHBondContact O-CB 3.05Å; Y242-M246 VanDerWaalsContact O-CG 3.23Å; Y242-M246 WeakPolarHBondContact O-CG 3.21Å; Y242-M246 PolarHBondContact O-N 3.5Å; C243-M246 PolarHBondContact O-N 3.37Å; M246-Y248 VanDerWaalsContact C-N 3.34Å; M246-Y248 PolarHBondContact O-N 3.42Å; M246-A249 PolarHBondContact O-N 3.16Å; M246-Q250 PolarHBondContact O-N 3.46Å; M246-Y256 HydrophobicContact CE-CE1 3.97Å; M246-Y256 HydrophobicContact CG-CD1 4.22Å; M246-Y256 HydrophobicContact CG-CE1 3.59Å; M246-F295 HydrophobicContact CE-CE1 3.65Å; M246-F295 HydrophobicContact CE-CZ 3.76Å; M246-F300 HydrophobicContact CE-CE2 4.33Å; M246-L305 HydrophobicContact CB-CD1 4.41Å; M246-L305 HydrophobicContact CB-CD2 4.38Å; M246-L305 HydrophobicContact CG-CD2 4.16Å; M246-L305 HydrophobicContact SD-CD2 4.26Å; M246-I308 HydrophobicContact SD-CG2 4.14Å; M246-V309 HydrophobicContact CB-CG2 3.69Å; M246-V309 HydrophobicContact SD-CG2 4.14Å
247	M	94.5	Very high	95.6	Very high	60 Å²	60	19.6 Å²	19.6	30%	0.296	9%	0.093	S	C	.	.	H	α-helix	trans	-61.3	-42.7	176.2	-73.3	-174.5	-59.3	0	0	111.6	I108 Y214 C243 F244 V309 F313	I108-M247 HydrophobicContact CD1-CE 4.06Å; I108-M247 HydrophobicContact CD1-SD 3.92Å; Y214-M247 HydrophobicContact CE2-CE 4.3Å; C243-M247 WeakPolarHBondContact O-CB 3.42Å; C243-M247 WeakPolarHBondContact O-CG 3.19Å; C243-M247 PolarHBondContact O-N 3.01Å; F244-M247 PolarHBondContact O-N 2.89Å; M247-V309 HydrophobicContact CG-CG1 3.84Å; M247-V309 HydrophobicContact CG-CG2 4.25Å; M247-V309 HydrophobicContact SD-CG1 4.01Å; M247-F313 HydrophobicContact CE-CE2 4.29Å; M247-F313 HydrophobicContact CE-CZ 3.79Å; M247-F313 HydrophobicContact SD-CE2 3.93Å; M247-F313 HydrophobicContact SD-CZ 4.06Å
248	Y	95.3	Very high	95.7	Very high	40 Å²	40	17.6 Å²	17.6	16%	0.157	8%	0.084	C	C	.	.	H	α-helix	trans	-66.6	-37	176.9	-179.6	-94	0	0	0	112.7	P124 Q127 V174 E206 I208 F244 L245 M246 K252	P124-Y248 HydrophobicContact CG-CD2 4.12Å; P124-Y248 HydrophobicContact CG-CE2 4.12Å; Q127-Y248 PolarHBondContact NE2-OH 3.41Å; V174-Y248 HydrophobicContact CG1-CD1 3.7Å; V174-Y248 HydrophobicContact CG1-CE1 3.73Å; V174-Y248 HydrophobicContact CG2-CD1 4.33Å; V174-Y248 HydrophobicContact CG2-CE1 4.14Å; E206-Y248 WeakPolarHBondContact OE2-CE1 3.48Å; E206-Y248 PolarHBondContact OE2-OH 3.18Å; I208-Y248 HydrophobicContact CD1-CD1 3.65Å; I208-Y248 HydrophobicContact CD1-CD2 4.2Å; I208-Y248 HydrophobicContact CD1-CE1 4.13Å; I208-Y248 HydrophobicContact CD1-CG 3.67Å; I208-Y248 HydrophobicContact CG2-CD1 4.44Å; I208-Y248 HydrophobicContact CG2-CD2 4.37Å; I208-Y248 HydrophobicContact CG2-CE1 3.88Å; I208-Y248 HydrophobicContact CG2-CE2 3.85Å; F244-Y248 WeakPolarHBondContact O-CB 3.43Å; F244-Y248 PolarHBondContact O-N 3.42Å; L245-Y248 PolarHBondContact O-N 2.7Å; M246-Y248 VanDerWaalsContact C-N 3.34Å; M246-Y248 PolarHBondContact O-N 3.42Å; Y248-K252 HydrophobicContact CE1-CD 4.24Å
249	A	95.3	Very high	95.8	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.008	8%	0.078	C	C	.	.	H	α-helix	trans	-80.1	-19.5	-176.5	0	0	0	0	0	114	V138 L245 M246 E251 K252 Y256	V138-A249 HydrophobicContact CG1-CB 3.78Å; L245-A249 VanDerWaalsContact O-CB 3.27Å; L245-A249 WeakPolarHBondContact O-CB 3.36Å; L245-A249 PolarHBondContact O-N 3.27Å; M246-A249 PolarHBondContact O-N 3.16Å; A249-E251 VanDerWaalsContact C-N 3.27Å; A249-E251 PolarHBondContact O-N 2.9Å; A249-E251 VanDerWaalsContact O-N 3.15Å; A249-K252 WeakPolarHBondContact O-CB 3.14Å; A249-K252 PolarHBondContact O-N 3.23Å; A249-Y256 HydrophobicContact CB-CD2 3.49Å; A249-Y256 VanDerWaalsContact CB-CD2 3.49Å; A249-Y256 HydrophobicContact CB-CE2 3.59Å
250	Q	90.9	Very high	95.6	Very high	36 Å²	36	17.9 Å²	17.9	17%	0.168	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-38.5	-170.2	174	166	53.8	0	0	114.4	M246 A302 L305 T306	M246-Q250 PolarHBondContact O-N 3.46Å; Q250-A302 PolarHBondContact NE2-O 3.39Å; Q250-L305 HydrophobicContact CB-CD1 4.13Å; Q250-T306 PolarHBondContact NE2-OG1 3.45Å; Q250-T306 PolarHBondContact OE1-OG1 3.28Å
251	E	87.4	Confident	95.5	Very high	100 Å²	100	18.2 Å²	18.2	47%	0.467	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-0.8	-175	-55.9	-166.7	140.9	0	0	113.7	Q57 A249	Q57-E251 WeakPolarHBondContact CG-OE1 3.45Å; Q57-E251 PolarHBondContact NE2-OE1 2.88Å; A249-E251 VanDerWaalsContact C-N 3.27Å; A249-E251 PolarHBondContact O-N 2.9Å; A249-E251 VanDerWaalsContact O-N 3.15Å
252	K	93.4	Very high	95.1	Very high	13 Å²	13	18.2 Å²	18.2	6%	0.057	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-28.9	-169.8	-67.8	-177.2	173.9	-74.5	0	113.7	R132 T133 G134 V135 V138 V174 E206 Y248 A249	R132-K252 PolarHBondContact O-NZ 3.39Å; T133-K252 CarbonylContact C-O 3.48Å; T133-K252 WeakPolarHBondContact CA-O 3.17Å; T133-K252 HydrophobicContact CG2-CG 4.34Å; G134-K252 PolarHBondContact N-O 3.37Å; V135-K252 WeakPolarHBondContact CG2-O 3.5Å; V135-K252 PolarHBondContact N-O 3.47Å; V138-K252 HydrophobicContact CG1-CB 4.38Å; V138-K252 HydrophobicContact CG1-CD 4.5Å; V138-K252 HydrophobicContact CG2-CB 3.59Å; V174-K252 HydrophobicContact CG2-CD 4.15Å; E206-K252 IonicContact OE1-NZ 3.05Å; E206-K252 PolarHBondContact OE1-NZ 2.98Å; E206-K252 WeakPolarHBondContact OE2-CE 3.48Å; E206-K252 IonicContact OE2-NZ 3.28Å; E206-K252 PolarHBondContact OE2-NZ 3Å; Y248-K252 HydrophobicContact CE1-CD 4.24Å; A249-K252 WeakPolarHBondContact O-CB 3.14Å; A249-K252 PolarHBondContact O-N 3.23Å
253	G	92.8	Very high	94.9	Very high	12 Å²	12	17.8 Å²	17.8	12%	0.124	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	-176.7	-174.7	0	0	0	0	0	116	V135 A302	V135-G253 CarbonylContact O-C 3.57Å; V135-G253 WeakPolarHBondContact O-CA 3.34Å; G253-A302 WeakPolarHBondContact O-CB 3.19Å
254	I	93.8	Very high	94.6	Very high	30 Å²	30	20.5 Å²	20.5	15%	0.154	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	-43.3	-175.1	-63	175.9	0	0	0	110.5	E46 R49 V135 S136 A302	E46-I254 VanDerWaalsContact OE1-CD1 3.27Å; E46-I254 WeakPolarHBondContact OE1-CD1 3.46Å; R49-I254 PolarHBondContact NH1-O 3.37Å; R49-I254 VanDerWaalsContact NH2-C 3.28Å; R49-I254 VanDerWaalsContact NH2-CG2 3.3Å; R49-I254 PolarHBondContact NH2-O 2.82Å; V135-I254 PolarHBondContact O-N 3.28Å; S136-I254 WeakPolarHBondContact O-CB 3.38Å; S136-I254 PolarHBondContact O-N 2.92Å; I254-A302 WeakPolarHBondContact O-CB 3.37Å; I254-A302 PolarHBondContact O-N 3.24Å; I254-A302 VanDerWaalsContact O-N 3.11Å
255	Y	97.3	Very high	94.2	Very high	21 Å²	21	20.6 Å²	20.6	8%	0.082	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	151.1	-179.8	-53.2	-72.7	0	0	0	111	S136 I137 V138 A277 W285 M299 F300 Q301	S136-Y255 WeakPolarHBondContact O-CD2 3.4Å; S136-Y255 PolarHBondContact O-N 2.97Å; I137-Y255 WeakPolarHBondContact CA-O 3.41Å; I137-Y255 HydrophobicContact CG1-CD2 4.32Å; V138-Y255 PolarHBondContact N-O 2.8Å; Y255-A277 HydrophobicContact CE1-CB 4.48Å; Y255-A277 HydrophobicContact CE2-CB 4.15Å; Y255-W285 AromaticContact CD1-CH2 3.97Å; Y255-W285 HydrophobicContact CD1-CH2 3.97Å; Y255-W285 HydrophobicContact CD1-CZ2 4.36Å; Y255-W285 AromaticContact CE1-CH2 3.91Å; Y255-W285 HydrophobicContact CE1-CH2 3.91Å; Y255-W285 AromaticContact CE1-CZ2 3.82Å; Y255-W285 HydrophobicContact CE1-CZ2 3.82Å; Y255-M299 HydrophobicContact CD1-CE 3.63Å; Y255-M299 HydrophobicContact CD2-CE 3.42Å; Y255-M299 VanDerWaalsContact CD2-CE 3.42Å; Y255-M299 HydrophobicContact CE1-CE 4.3Å; Y255-M299 HydrophobicContact CE2-CE 4.12Å; Y255-M299 HydrophobicContact CG-CE 3.13Å; Y255-F300 WeakPolarHBondContact CA-O 3.34Å; Y255-Q301 HydrophobicContact CE1-CG 4.48Å
256	Y	98.3	Very high	93.6	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	132.1	171	172.9	-99.1	0	0	0	109.2	V138 L245 M246 A249 Q258 M299 F300 L305	V138-Y256 HydrophobicContact CB-CD2 4.31Å; V138-Y256 HydrophobicContact CG1-CD2 4.4Å; V138-Y256 CarbonylContact O-C 3.58Å; V138-Y256 WeakPolarHBondContact O-CA 3.39Å; L245-Y256 WeakPolarHBondContact CD2-OH 3.31Å; L245-Y256 HydrophobicContact CG-CE2 4.45Å; L245-Y256 WeakPolarHBondContact CG-OH 2.93Å; M246-Y256 HydrophobicContact CE-CE1 3.97Å; M246-Y256 HydrophobicContact CG-CD1 4.22Å; M246-Y256 HydrophobicContact CG-CE1 3.59Å; A249-Y256 HydrophobicContact CB-CD2 3.49Å; A249-Y256 VanDerWaalsContact CB-CD2 3.49Å; A249-Y256 HydrophobicContact CB-CE2 3.59Å; Y256-Q258 HydrophobicContact CE1-CB 3.93Å; Y256-Q258 PolarHBondContact OH-OE1 2.69Å; Y256-M299 CarbonylContact O-C 3.59Å; Y256-M299 VanDerWaalsContact O-CA 3.26Å; Y256-M299 WeakPolarHBondContact O-CA 3.35Å; Y256-F300 HydrophobicContact CD1-CD2 4.04Å; Y256-F300 PolarHBondContact N-O 2.86Å; Y256-F300 PolarHBondContact O-N 3.17Å; Y256-L305 HydrophobicContact CD1-CD1 4.3Å; Y256-L305 HydrophobicContact CD1-CD2 3.73Å; Y256-L305 HydrophobicContact CG-CD1 3.94Å; Y256-L305 HydrophobicContact CG-CD2 4.16Å
257	I	98.1	Very high	92.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.4	171.5	-169.5	169.9	0	0	0	110.1	I137 V138 M139 G140 L259 I273 F290 K298 M299 F359	I137-I257 HydrophobicContact CG2-CG2 3.82Å; V138-I257 PolarHBondContact O-N 3.32Å; M139-I257 HydrophobicContact CB-CG2 4.14Å; M139-I257 HydrophobicContact CG-CG2 3.53Å; G140-I257 PolarHBondContact N-O 3.46Å; I257-L259 HydrophobicContact CD1-CD2 4.32Å; I257-L259 HydrophobicContact CG1-CD2 4.21Å; I257-I273 HydrophobicContact CD1-CD1 3.91Å; I257-F290 HydrophobicContact CD1-CD2 3.89Å; I257-F290 HydrophobicContact CD1-CE2 4.39Å; I257-K298 WeakPolarHBondContact CA-O 3.22Å; I257-M299 HydrophobicContact CB-CB 4.2Å; I257-M299 HydrophobicContact CB-CG 4.48Å; I257-M299 HydrophobicContact CD1-CB 4.34Å; I257-M299 HydrophobicContact CG1-CB 4.1Å; I257-F359 HydrophobicContact CD1-CE2 3.86Å; I257-F359 HydrophobicContact CD1-CZ 3.96Å
258	Q	97.7	Very high	92.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	126.4	174.5	-175.8	66.3	58.7	0	0	109.9	G140 Y256 F295 G297 K298	G140-Q258 PolarHBondContact O-NE2 3.46Å; Y256-Q258 HydrophobicContact CE1-CB 3.93Å; Y256-Q258 PolarHBondContact OH-OE1 2.69Å; Q258-F295 HydrophobicContact CB-CD1 4.38Å; Q258-F295 HydrophobicContact CB-CE1 4.35Å; Q258-F295 HydrophobicContact CG-CD1 3.47Å; Q258-F295 VanDerWaalsContact CG-CD1 3.47Å; Q258-F295 HydrophobicContact CG-CE1 3.7Å; Q258-F295 HydrophobicContact CG-CG 4.29Å; Q258-G297 WeakPolarHBondContact O-CA 3.38Å; Q258-G297 PolarHBondContact O-N 3.34Å; Q258-K298 PolarHBondContact N-O 3.25Å; Q258-K298 PolarHBondContact O-N 3.33Å
259	L	97.3	Very high	92	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.			trans	-122.7	177.8	175.5	-59.7	179	0	0	0	110.1	M139 G140 I141 P142 L159 I257 I263 F359	M139-L259 HydrophobicContact CB-CD1 4.03Å; M139-L259 HydrophobicContact CG-CD1 4.21Å; M139-L259 HydrophobicContact SD-CD1 4.35Å; G140-L259 WeakPolarHBondContact O-CA 3.44Å; G140-L259 WeakPolarHBondContact O-CB 3.3Å; G140-L259 PolarHBondContact O-N 2.95Å; I141-L259 HydrophobicContact CG1-CB 4.12Å; I141-L259 HydrophobicContact CG1-CD1 4.35Å; P142-L259 WeakPolarHBondContact CD-O 3.41Å; L159-L259 HydrophobicContact CD1-CD1 4.1Å; L159-L259 HydrophobicContact CD2-CD1 4Å; I257-L259 HydrophobicContact CD1-CD2 4.32Å; I257-L259 HydrophobicContact CG1-CD2 4.21Å; L259-I263 HydrophobicContact CB-CD1 3.89Å; L259-I263 HydrophobicContact CD1-CD1 4.23Å; L259-I263 HydrophobicContact CD2-CD1 3.9Å; L259-I263 HydrophobicContact CG-CD1 4.22Å; L259-F359 HydrophobicContact CD1-CE1 4.4Å; L259-F359 HydrophobicContact CD2-CD1 3.98Å; L259-F359 HydrophobicContact CD2-CD2 4.45Å; L259-F359 HydrophobicContact CD2-CE1 3.59Å; L259-F359 HydrophobicContact CD2-CE2 4.09Å; L259-F359 HydrophobicContact CD2-CG 4.39Å; L259-F359 HydrophobicContact CD2-CZ 3.65Å
260	E	94.2	Very high	91.9	Very high	36 Å²	36	28.2 Å²	28.2	17%	0.168	14%	0.137	C	C	.	.			trans	-122.2	163.2	172.2	-70.1	-179.6	-173.2	0	0	109.1	D262 I263 I296 H361	E260-D262 VanDerWaalsContact C-N 3.3Å; E260-D262 PolarHBondContact O-N 3.47Å; E260-I263 HydrophobicContact CB-CG2 4.14Å; E260-I296 HydrophobicContact CB-CG1 4.09Å; E260-I296 HydrophobicContact CG-CD1 4.44Å; E260-I296 HydrophobicContact CG-CG1 3.68Å; E260-I296 WeakPolarHBondContact OE2-CD1 3.5Å; E260-H361 IonicContact OE2-CD2 3.34Å
261	D	93.8	Very high	91.5	Very high	7 Å²	7	29.2 Å²	29.2	4%	0.037	14%	0.144	C	C	.	.	S	Bend	trans	-86.9	6.4	-175.4	69.6	-25.3	0	0	0	114.3	I141 T143 R146 Y151 L152 T155	I141-D261 HydrophobicContact CG2-CB 3.82Å; T143-D261 WeakPolarHBondContact CA-OD2 3.33Å; T143-D261 VanDerWaalsContact CB-OD2 3.25Å; T143-D261 WeakPolarHBondContact CB-OD2 3.44Å; T143-D261 PolarHBondContact OG1-OD2 2.85Å; R146-D261 IonicContact CZ-OD1 3.36Å; R146-D261 IonicContact CZ-OD2 3.7Å; R146-D261 IonicContact NH1-OD1 3.83Å; R146-D261 PolarHBondContact NH1-OD1 3.25Å; R146-D261 VanDerWaalsContact NH1-OD1 3.09Å; R146-D261 IonicContact NH1-OD2 2.69Å; R146-D261 PolarHBondContact NH1-OD2 2.77Å; R146-D261 IonicContact NH2-OD1 3.91Å; R146-D261 PolarHBondContact NH2-OD1 2.96Å; R146-D261 IonicContact NH2-OD2 3.81Å; Y151-D261 CarbonylContact C-O 3.55Å; Y151-D261 VanDerWaalsContact CB-O 3.25Å; Y151-D261 WeakPolarHBondContact CB-O 3.41Å; L152-D261 HydrophobicContact CB-CB 4.44Å; L152-D261 HydrophobicContact CD1-CB 4.04Å; L152-D261 PolarHBondContact N-O 3.36Å; T155-D261 WeakPolarHBondContact CB-O 3.32Å; T155-D261 PolarHBondContact OG1-O 3.46Å
262	D	90.9	Very high	91.4	Very high	7 Å²	7	26 Å²	26	4%	0.037	13%	0.132	C	C	.	.	S	Bend	trans	-129.4	49.7	-179.1	53.8	8.2	0	0	0	112.7	R146 Y151 T155 E260 H361 V362 G363	R146-D262 IonicContact CZ-OD2 3.3Å; R146-D262 IonicContact NH2-OD2 3.59Å; R146-D262 PolarHBondContact NH2-OD2 3.41Å; Y151-D262 HydrophobicContact CD2-CB 3.72Å; Y151-D262 HydrophobicContact CG-CB 3.74Å; T155-D262 WeakPolarHBondContact OG1-CA 3.35Å; T155-D262 PolarHBondContact OG1-N 2.85Å; E260-D262 VanDerWaalsContact C-N 3.3Å; E260-D262 PolarHBondContact O-N 3.47Å; D262-H361 CarbonylContact O-C 3.43Å; D262-H361 WeakPolarHBondContact O-CA 3.13Å; D262-H361 IonicContact OD1-CD2 3.82Å; D262-H361 PolarHBondContact OD1-CD2 3.27Å; D262-H361 VanDerWaalsContact OD1-CD2 3.3Å; D262-H361 IonicContact OD1-NE2 3.37Å; D262-H361 IonicContact OD2-CD2 3.62Å; D262-H361 IonicContact OD2-NE2 2.8Å; D262-H361 PolarHBondContact OD2-NE2 2.89Å; D262-V362 WeakPolarHBondContact O-CG2 3.37Å; D262-V362 PolarHBondContact O-N 3.09Å; D262-G363 PolarHBondContact O-N 2.9Å
263	I	92.7	Very high	91.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	156.4	-178.7	69.2	178.2	0	0	0	112.8	T155 L259 E260 I296 F359 Q360	T155-I263 WeakPolarHBondContact CA-O 3.46Å; T155-I263 HydrophobicContact CG2-CD1 4.46Å; T155-I263 HydrophobicContact CG2-CG1 3.61Å; T155-I263 PolarHBondContact OG1-N 3.02Å; T155-I263 PolarHBondContact OG1-O 2.9Å; L259-I263 HydrophobicContact CB-CD1 3.89Å; L259-I263 HydrophobicContact CD1-CD1 4.23Å; L259-I263 HydrophobicContact CD2-CD1 3.9Å; L259-I263 HydrophobicContact CG-CD1 4.22Å; E260-I263 HydrophobicContact CB-CG2 4.14Å; I263-I296 HydrophobicContact CD1-CG2 4.47Å; I263-I296 HydrophobicContact CG2-CD1 3.96Å; I263-I296 HydrophobicContact CG2-CG1 4.37Å; I263-I296 HydrophobicContact CG2-CG2 4Å; I263-F359 HydrophobicContact CD1-CD1 3.79Å; I263-F359 HydrophobicContact CD1-CE1 4.35Å; I263-Q360 CarbonylContact C-O 3.49Å; I263-Q360 VanDerWaalsContact CA-O 3.22Å; I263-Q360 WeakPolarHBondContact CA-O 3.35Å
264	I	90	Very high	91.1	Very high	58 Å²	58	27.6 Å²	27.6	30%	0.297	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	154.5	164.1	60.6	172.1	0	0	0	109.9	S158 F359 Q360 V362 Y380	S158-I264 WeakPolarHBondContact OG-CA 3.44Å; I264-F359 WeakPolarHBondContact O-CA 3.38Å; I264-Q360 HydrophobicContact CD1-CB 4.34Å; I264-Q360 HydrophobicContact CD1-CG 4.39Å; I264-Q360 HydrophobicContact CG1-CB 3.81Å; I264-Q360 HydrophobicContact CG1-CG 4.25Å; I264-Q360 PolarHBondContact N-O 2.67Å; I264-Q360 PolarHBondContact O-N 3.46Å; I264-V362 HydrophobicContact CB-CG1 4.41Å; I264-V362 HydrophobicContact CD1-CG1 3.82Å; I264-V362 HydrophobicContact CG1-CG1 3.73Å; I264-V362 HydrophobicContact CG2-CG1 3.92Å; I264-V362 HydrophobicContact CG2-CG2 4.09Å; I264-Y380 HydrophobicContact CD1-CE1 4.09Å; I264-Y380 VanDerWaalsContact CD1-OH 3.29Å; I264-Y380 WeakPolarHBondContact CD1-OH 3.31Å; I264-Y380 HydrophobicContact CG1-CE1 4.47Å; I264-Y380 WeakPolarHBondContact CG1-OH 3.47Å
265	V	90.5	Very high	90.4	Very high	10 Å²	10	29.5 Å²	29.5	6%	0.061	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	153.7	-176.4	-50.9	0	0	0	0	113	S158 L159 N162 Y269 L358 F359	S158-V265 WeakPolarHBondContact O-CG2 3.47Å; S158-V265 PolarHBondContact OG-N 2.78Å; L159-V265 HydrophobicContact CD2-CG1 3.41Å; L159-V265 VanDerWaalsContact CD2-CG1 3.41Å; L159-V265 HydrophobicContact CG-CG1 4.07Å; N162-V265 HydrophobicContact CB-CG2 3.92Å; V265-Y269 HydrophobicContact CB-CD1 3.98Å; V265-Y269 HydrophobicContact CB-CE1 4.42Å; V265-Y269 HydrophobicContact CB-CG 4.16Å; V265-Y269 HydrophobicContact CG2-CD1 3.6Å; V265-Y269 HydrophobicContact CG2-CE1 3.79Å; V265-Y269 HydrophobicContact CG2-CG 4.29Å; V265-L358 WeakPolarHBondContact CA-O 3.4Å; V265-F359 HydrophobicContact CB-CD1 4.45Å; V265-F359 HydrophobicContact CG1-CD1 3.6Å; V265-F359 HydrophobicContact CG1-CE1 3.64Å
266	K	85.4	Confident	89.7	Confident	67 Å²	67	29.9 Å²	29.9	29%	0.291	15%	0.148	S	C	.	.			trans	-74.8	150.1	167.9	-165.3	172.8	-179	175.8	0	110.7	Y269 L358	K266-Y269 WeakPolarHBondContact O-CB 3.35Å; K266-Y269 WeakPolarHBondContact O-CD1 3.5Å; K266-Y269 PolarHBondContact O-N 3.26Å; K266-L358 HydrophobicContact CB-CD2 4.43Å; K266-L358 HydrophobicContact CD-CD2 4.29Å; K266-L358 PolarHBondContact N-O 2.74Å
267	Q	78.3	Confident	89	Confident	138 Å²	138	29.8 Å²	29.8	65%	0.645	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	145.3	171	-166.1	175.1	18.6	0	0	111	N162 Y269	N162-Q267 WeakPolarHBondContact OD1-CA 3.48Å; Q267-Y269 PolarHBondContact O-N 3.23Å
268	N	81.1	Confident	88	Confident	50 Å²	50	33.8 Å²	33.8	27%	0.267	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	23.5	-179.8	-168	60.9	0	0	0	113.7	F270 N271 T272	N268-F270 VanDerWaalsContact C-N 3.29Å; N268-F270 PolarHBondContact O-N 3.2Å; N268-N271 VanDerWaalsContact OD1-CB 3.28Å; N268-N271 WeakPolarHBondContact OD1-CB 3.39Å; N268-T272 WeakPolarHBondContact O-CB 3.45Å; N268-T272 PolarHBondContact O-N 3.21Å; N268-T272 VanDerWaalsContact O-N 3.17Å; N268-T272 PolarHBondContact O-OG1 3.1Å
269	Y	92.3	Very high	86.9	Confident	1 Å²	1	37.9 Å²	37.9	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-58.4	-41.5	179	74.1	-79.8	0	0	0	111.8	M139 L159 N162 L163 V265 K266 Q267 T272 I273 F359	M139-Y269 HydrophobicContact SD-CE2 3.99Å; L159-Y269 HydrophobicContact CD2-CE2 3.96Å; L159-Y269 PolarHBondContact O-OH 3.33Å; N162-Y269 HydrophobicContact CB-CD1 4.1Å; N162-Y269 HydrophobicContact CB-CE1 3.94Å; L163-Y269 HydrophobicContact CD2-CE1 4.29Å; L163-Y269 WeakPolarHBondContact CD2-OH 3.31Å; L163-Y269 HydrophobicContact CG-CE1 4.41Å; L163-Y269 WeakPolarHBondContact CG-OH 3.41Å; V265-Y269 HydrophobicContact CB-CD1 3.98Å; V265-Y269 HydrophobicContact CB-CE1 4.42Å; V265-Y269 HydrophobicContact CB-CG 4.16Å; V265-Y269 HydrophobicContact CG2-CD1 3.6Å; V265-Y269 HydrophobicContact CG2-CE1 3.79Å; V265-Y269 HydrophobicContact CG2-CG 4.29Å; K266-Y269 WeakPolarHBondContact O-CB 3.35Å; K266-Y269 WeakPolarHBondContact O-CD1 3.5Å; K266-Y269 PolarHBondContact O-N 3.26Å; Q267-Y269 PolarHBondContact O-N 3.23Å; Y269-T272 WeakPolarHBondContact O-CB 3.45Å; Y269-T272 PolarHBondContact O-N 2.84Å; Y269-I273 HydrophobicContact CD2-CD1 3.82Å; Y269-I273 VanDerWaalsContact O-CG1 3.25Å; Y269-I273 WeakPolarHBondContact O-CG1 3.33Å; Y269-I273 PolarHBondContact O-N 2.67Å; Y269-F359 HydrophobicContact CD2-CE1 4.22Å; Y269-F359 HydrophobicContact CD2-CZ 4.14Å
270	F	93.4	Very high	85.9	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.018	19%	0.194	C	C	.	.	H	α-helix	trans	-63	-55.9	-174.1	-175.8	-88.7	0	0	0	112.2	I137 M139 L163 E167 C171 N268 T272 I273 K274	I137-F270 HydrophobicContact CB-CE2 3.85Å; I137-F270 HydrophobicContact CB-CZ 4.26Å; I137-F270 HydrophobicContact CD1-CD2 4.32Å; I137-F270 HydrophobicContact CD1-CE2 3.82Å; I137-F270 HydrophobicContact CD1-CZ 4Å; I137-F270 HydrophobicContact CG1-CE2 4.25Å; I137-F270 HydrophobicContact CG1-CZ 4.35Å; I137-F270 HydrophobicContact CG2-CE2 4.48Å; M139-F270 HydrophobicContact CE-CD2 4.31Å; M139-F270 HydrophobicContact CE-CE2 4.43Å; L163-F270 HydrophobicContact CD2-CB 3.55Å; L163-F270 HydrophobicContact CD2-CD2 3.77Å; L163-F270 HydrophobicContact CD2-CG 3.7Å; E167-F270 HydrophobicContact CB-CD1 3.63Å; E167-F270 HydrophobicContact CB-CE1 3.9Å; E167-F270 HydrophobicContact CB-CG 4.12Å; E167-F270 HydrophobicContact CG-CD1 3.5Å; E167-F270 VanDerWaalsContact CG-CD1 3.5Å; E167-F270 HydrophobicContact CG-CE1 3.98Å; E167-F270 HydrophobicContact CG-CG 4.27Å; E167-F270 WeakPolarHBondContact OE1-CD1 3.28Å; C171-F270 HydrophobicContact CB-CD2 4.36Å; C171-F270 HydrophobicContact CB-CE2 3.44Å; C171-F270 VanDerWaalsContact CB-CE2 3.44Å; C171-F270 HydrophobicContact CB-CZ 3.9Å; N268-F270 VanDerWaalsContact C-N 3.29Å; N268-F270 PolarHBondContact O-N 3.2Å; F270-T272 PolarHBondContact O-N 3.16Å; F270-I273 PolarHBondContact O-N 3.3Å; F270-K274 HydrophobicContact CE1-CD 4.18Å; F270-K274 WeakPolarHBondContact O-CB 3.37Å; F270-K274 PolarHBondContact O-N 3.2Å
271	N	83.6	Confident	84.8	Confident	58 Å²	58	39.9 Å²	39.9	31%	0.31	20%	0.203	S	C	.	.	H	α-helix	trans	-56.8	-39.1	174.8	-169.5	30.9	0	0	0	112.1	E167 N268 K274 N275	E167-N271 WeakPolarHBondContact OE1-CB 3.3Å; E167-N271 PolarHBondContact OE1-N 3.47Å; N268-N271 VanDerWaalsContact OD1-CB 3.28Å; N268-N271 WeakPolarHBondContact OD1-CB 3.39Å; N271-K274 PolarHBondContact O-N 3.24Å; N271-N275 VanDerWaalsContact O-CB 3.31Å; N271-N275 WeakPolarHBondContact O-CB 3.37Å; N271-N275 PolarHBondContact O-N 3Å; N271-N275 PolarHBondContact O-ND2 3.49Å; N271-N275 VanDerWaalsContact O-ND2 3.11Å; N271-N275 PolarHBondContact OD1-ND2 3.19Å
272	T	84.4	Confident	83.3	Confident	33 Å²	33	44 Å²	44	20%	0.202	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-48.1	177	-55	0	0	0	0	111.4	N268 Y269 F270 F276 F354 L358	N268-T272 WeakPolarHBondContact O-CB 3.45Å; N268-T272 PolarHBondContact O-N 3.21Å; N268-T272 VanDerWaalsContact O-N 3.17Å; N268-T272 PolarHBondContact O-OG1 3.1Å; Y269-T272 WeakPolarHBondContact O-CB 3.45Å; Y269-T272 PolarHBondContact O-N 2.84Å; F270-T272 PolarHBondContact O-N 3.16Å; T272-F276 VanDerWaalsContact O-CB 3.28Å; T272-F276 WeakPolarHBondContact O-CB 3.48Å; T272-F276 PolarHBondContact O-N 3.49Å; T272-F354 HydrophobicContact CG2-CE1 3.74Å; T272-F354 HydrophobicContact CG2-CE2 3.78Å; T272-F354 HydrophobicContact CG2-CZ 3.26Å; T272-L358 HydrophobicContact CG2-CD1 3.98Å; T272-L358 HydrophobicContact CG2-CD2 4.24Å
273	I	92.3	Very high	82.4	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-60.3	-49.1	176.5	-69.6	166.4	0	0	0	110.6	I137 I257 Y269 F270 F276 A277 F290 M299 L358 F359	I137-I273 HydrophobicContact CD1-CB 4.45Å; I137-I273 HydrophobicContact CD1-CG2 3.77Å; I257-I273 HydrophobicContact CD1-CD1 3.91Å; Y269-I273 HydrophobicContact CD2-CD1 3.82Å; Y269-I273 VanDerWaalsContact O-CG1 3.25Å; Y269-I273 WeakPolarHBondContact O-CG1 3.33Å; Y269-I273 PolarHBondContact O-N 2.67Å; F270-I273 PolarHBondContact O-N 3.3Å; I273-F276 PolarHBondContact O-N 3.01Å; I273-A277 PolarHBondContact O-N 2.99Å; I273-F290 HydrophobicContact CB-CE1 4.14Å; I273-F290 HydrophobicContact CB-CE2 4.41Å; I273-F290 HydrophobicContact CB-CZ 3.98Å; I273-F290 HydrophobicContact CG1-CD1 3.77Å; I273-F290 HydrophobicContact CG1-CD2 4.15Å; I273-F290 HydrophobicContact CG1-CE1 3.69Å; I273-F290 HydrophobicContact CG1-CE2 4.08Å; I273-F290 HydrophobicContact CG1-CG 4Å; I273-F290 HydrophobicContact CG1-CZ 3.85Å; I273-F290 HydrophobicContact CG2-CE1 4.37Å; I273-F290 HydrophobicContact CG2-CE2 3.82Å; I273-F290 HydrophobicContact CG2-CZ 3.7Å; I273-M299 HydrophobicContact CG2-CE 4.13Å; I273-M299 HydrophobicContact CG2-SD 3.57Å; I273-M299 VanDerWaalsContact CG2-SD 3.57Å; I273-L358 HydrophobicContact CD1-CD1 4.16Å; I273-L358 HydrophobicContact CG1-CD1 3.58Å; I273-F359 HydrophobicContact CD1-CE2 3.96Å; I273-F359 HydrophobicContact CD1-CZ 3.69Å
274	K	87.1	Confident	81.8	Confident	55 Å²	55	57.1 Å²	57.1	24%	0.239	29%	0.294	C	S	.	.	H	α-helix	trans	-62	-48.2	-177.3	-172.9	176.7	178.5	178.8	0	111.4	S136 I137 D170 F270 N271 F276 A277 L278	S136-K274 PolarHBondContact OG-NZ 2.8Å; I137-K274 HydrophobicContact CD1-CB 4.05Å; D170-K274 IonicContact OD2-NZ 3.61Å; D170-K274 PolarHBondContact OD2-NZ 3.2Å; F270-K274 HydrophobicContact CE1-CD 4.18Å; F270-K274 WeakPolarHBondContact O-CB 3.37Å; F270-K274 PolarHBondContact O-N 3.2Å; N271-K274 PolarHBondContact O-N 3.24Å; K274-F276 PolarHBondContact O-N 3.14Å; K274-A277 PolarHBondContact O-N 2.78Å; K274-L278 HydrophobicContact CG-CD1 4.09Å; K274-L278 WeakPolarHBondContact O-CB 3.4Å; K274-L278 VanDerWaalsContact O-CG 3.25Å; K274-L278 WeakPolarHBondContact O-CG 3.35Å; K274-L278 PolarHBondContact O-N 3Å
275	N	79.6	Confident	81.7	Confident	70 Å²	70	54.9 Å²	54.9	37%	0.374	28%	0.281	S	S	.	.	H	α-helix	trans	-64.8	-40.5	179.2	-69.2	-28.5	0	0	0	111.8	N271 A277 L278 Q279	N271-N275 VanDerWaalsContact O-CB 3.31Å; N271-N275 WeakPolarHBondContact O-CB 3.37Å; N271-N275 PolarHBondContact O-N 3Å; N271-N275 PolarHBondContact O-ND2 3.49Å; N271-N275 VanDerWaalsContact O-ND2 3.11Å; N271-N275 PolarHBondContact OD1-ND2 3.19Å; N275-A277 PolarHBondContact O-N 3.49Å; N275-L278 PolarHBondContact O-N 2.92Å; N275-Q279 WeakPolarHBondContact O-CB 3.24Å; N275-Q279 VanDerWaalsContact O-CG 3.3Å; N275-Q279 WeakPolarHBondContact O-CG 3.44Å; N275-Q279 PolarHBondContact O-N 2.87Å
276	F	83.1	Confident	81.7	Confident	28 Å²	28	55 Å²	55	12%	0.123	28%	0.281	C	S	.	.	H	α-helix	trans	-61.8	-44.8	176.7	-173.4	-114.6	0	0	0	112.1	T272 I273 K274 L278 Q279 L280 L288 F290 I352 F354	T272-F276 VanDerWaalsContact O-CB 3.28Å; T272-F276 WeakPolarHBondContact O-CB 3.48Å; T272-F276 PolarHBondContact O-N 3.49Å; I273-F276 PolarHBondContact O-N 3.01Å; K274-F276 PolarHBondContact O-N 3.14Å; F276-L278 VanDerWaalsContact C-N 3.33Å; F276-L278 PolarHBondContact O-N 3.33Å; F276-Q279 PolarHBondContact O-N 3.22Å; F276-L280 HydrophobicContact CD1-CD1 4.12Å; F276-L280 HydrophobicContact CD2-CD1 4.46Å; F276-L280 HydrophobicContact CE1-CD1 3.64Å; F276-L280 HydrophobicContact CE2-CD1 4.02Å; F276-L280 HydrophobicContact CZ-CD1 3.6Å; F276-L280 WeakPolarHBondContact O-CG 3.21Å; F276-L280 PolarHBondContact O-N 2.99Å; F276-L288 HydrophobicContact CD1-CD1 4.14Å; F276-L288 HydrophobicContact CE1-CB 4.46Å; F276-L288 HydrophobicContact CE1-CD1 4.4Å; F276-L288 HydrophobicContact CE1-CD2 4.13Å; F276-F290 HydrophobicContact CB-CE1 4.31Å; F276-F290 AromaticContact CD1-CE1 3.72Å; F276-F290 HydrophobicContact CD1-CE1 3.72Å; F276-F290 AromaticContact CD1-CZ 3.76Å; F276-F290 HydrophobicContact CD1-CZ 3.76Å; F276-F290 HydrophobicContact CE1-CE1 4.47Å; F276-F290 HydrophobicContact CG-CE1 4.33Å; F276-I352 HydrophobicContact CE1-CG2 4.41Å; F276-I352 HydrophobicContact CZ-CG2 3.87Å; F276-F354 HydrophobicContact CB-CD2 4.25Å; F276-F354 HydrophobicContact CD1-CB 4.15Å; F276-F354 HydrophobicContact CD1-CD2 4.15Å; F276-F354 AromaticContact CD2-CD2 3.64Å; F276-F354 HydrophobicContact CD2-CD2 3.64Å; F276-F354 HydrophobicContact CD2-CE2 4.26Å; F276-F354 HydrophobicContact CE1-CB 3.91Å; F276-F354 HydrophobicContact CE1-CD2 4.39Å; F276-F354 AromaticContact CE2-CD2 3.91Å; F276-F354 HydrophobicContact CE2-CD2 3.91Å; F276-F354 AromaticContact CG-CD2 3.75Å; F276-F354 HydrophobicContact CG-CD2 3.75Å; F276-F354 HydrophobicContact CG-CE2 4.49Å; F276-F354 HydrophobicContact CZ-CB 4.16Å; F276-F354 HydrophobicContact CZ-CD2 4.26Å
277	A	83.4	Confident	82.2	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.8	-36.7	175.7	0	0	0	0	0	112.7	Y255 I273 K274 N275 L280 S281 L288 M299	Y255-A277 HydrophobicContact CE1-CB 4.48Å; Y255-A277 HydrophobicContact CE2-CB 4.15Å; I273-A277 PolarHBondContact O-N 2.99Å; K274-A277 PolarHBondContact O-N 2.78Å; N275-A277 PolarHBondContact O-N 3.49Å; A277-L280 PolarHBondContact O-N 3.45Å; A277-S281 PolarHBondContact O-N 3.45Å; A277-L288 HydrophobicContact CB-CD1 3.87Å; A277-M299 HydrophobicContact CB-CE 3.49Å; A277-M299 VanDerWaalsContact CB-CE 3.49Å; A277-M299 HydrophobicContact CB-SD 4.19Å
278	L	77.9	Confident	82.9	Confident	84 Å²	84	45.2 Å²	45.2	44%	0.44	24%	0.236	S	C	.	.	H	α-helix	trans	-68.4	-40	176.3	-73	171.8	0	0	0	112.5	K274 N275 F276 L280 S281	K274-L278 HydrophobicContact CG-CD1 4.09Å; K274-L278 WeakPolarHBondContact O-CB 3.4Å; K274-L278 VanDerWaalsContact O-CG 3.25Å; K274-L278 WeakPolarHBondContact O-CG 3.35Å; K274-L278 PolarHBondContact O-N 3Å; N275-L278 PolarHBondContact O-N 2.92Å; F276-L278 VanDerWaalsContact C-N 3.33Å; F276-L278 PolarHBondContact O-N 3.33Å; L278-L280 VanDerWaalsContact C-N 3.28Å; L278-L280 PolarHBondContact O-N 3.41Å; L278-S281 WeakPolarHBondContact O-CB 3.47Å; L278-S281 PolarHBondContact O-N 2.97Å; L278-S281 VanDerWaalsContact O-N 3.15Å; L278-S281 PolarHBondContact O-OG 3.06Å
279	Q	73.8	Confident	83.5	Confident	87 Å²	87	43 Å²	43	41%	0.407	23%	0.225	S	C	.	.	H	α-helix	trans	-58.5	-42.1	174.6	-77.3	170.8	-27.1	0	0	111	N275 F276 S281	N275-Q279 WeakPolarHBondContact O-CB 3.24Å; N275-Q279 VanDerWaalsContact O-CG 3.3Å; N275-Q279 WeakPolarHBondContact O-CG 3.44Å; N275-Q279 PolarHBondContact O-N 2.87Å; F276-Q279 PolarHBondContact O-N 3.22Å; Q279-S281 PolarHBondContact O-N 2.93Å
280	L	76.2	Confident	83.6	Confident	27 Å²	27	43 Å²	43	14%	0.141	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-83.8	11.3	179.4	-62	173.5	0	0	0	113.9	F276 A277 L278 S282 E283 W285 L288 I352	F276-L280 HydrophobicContact CD1-CD1 4.12Å; F276-L280 HydrophobicContact CD2-CD1 4.46Å; F276-L280 HydrophobicContact CE1-CD1 3.64Å; F276-L280 HydrophobicContact CE2-CD1 4.02Å; F276-L280 HydrophobicContact CZ-CD1 3.6Å; F276-L280 WeakPolarHBondContact O-CG 3.21Å; F276-L280 PolarHBondContact O-N 2.99Å; A277-L280 PolarHBondContact O-N 3.45Å; L278-L280 VanDerWaalsContact C-N 3.28Å; L278-L280 PolarHBondContact O-N 3.41Å; L280-S282 PolarHBondContact O-N 3Å; L280-E283 HydrophobicContact CD2-CG 4.18Å; L280-E283 PolarHBondContact O-N 2.86Å; L280-E283 VanDerWaalsContact O-N 3.08Å; L280-W285 PolarHBondContact O-NE1 3.47Å; L280-L288 HydrophobicContact CD1-CD1 4.34Å; L280-L288 HydrophobicContact CD1-CD2 3.55Å; L280-I352 HydrophobicContact CD1-CB 4.34Å; L280-I352 HydrophobicContact CD1-CD1 3.97Å; L280-I352 HydrophobicContact CD1-CG2 3.99Å; L280-I352 HydrophobicContact CD2-CD1 4.19Å
281	S	70.8	Confident	83.4	Confident	50 Å²	50	42.8 Å²	42.8	35%	0.35	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-70.5	-12.8	-175.6	69.1	0	0	0	0	114.7	K45 A277 L278 Q279	K45-S281 PolarHBondContact NZ-O 3.15Å; A277-S281 PolarHBondContact O-N 3.45Å; L278-S281 WeakPolarHBondContact O-CB 3.47Å; L278-S281 PolarHBondContact O-N 2.97Å; L278-S281 VanDerWaalsContact O-N 3.15Å; L278-S281 PolarHBondContact O-OG 3.06Å; Q279-S281 PolarHBondContact O-N 2.93Å
282	S	63.2	Low	83.3	Confident	94 Å²	94	44.6 Å²	44.6	66%	0.657	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-92	-17.9	170.9	53.1	0	0	0	0	113.5	L280	L280-S282 PolarHBondContact O-N 3Å
283	E	72.4	Confident	83.1	Confident	116 Å²	116	44.3 Å²	44.3	54%	0.542	23%	0.227	S	C	.	.	S	Bend	trans	-90.8	151	-177	-59.1	-56.5	135.6	0	0	110.8	L280 W285	L280-E283 HydrophobicContact CD2-CG 4.18Å; L280-E283 PolarHBondContact O-N 2.86Å; L280-E283 VanDerWaalsContact O-N 3.08Å; E283-W285 PolarHBondContact O-N 3.19Å
284	E	78.1	Confident	82.4	Confident	167 Å²	167	46 Å²	46	78%	0.78	25%	0.246	S	C	*	.			trans	-83.2	113.4	170	-170.9	-179.3	179.4	0	0	109.3	L350	E284-L350 HydrophobicContact CG-CD2 4.12Å
285	W	89	Confident	82.2	Confident	11 Å²	11	43.5 Å²	43.5	4%	0.042	24%	0.235	C	C	.	.			trans	-138.1	152.6	175	60.1	-95.3	0	0	0	110.8	Y255 L280 E283 L288 Q301 I352	Y255-W285 AromaticContact CD1-CH2 3.97Å; Y255-W285 HydrophobicContact CD1-CH2 3.97Å; Y255-W285 HydrophobicContact CD1-CZ2 4.36Å; Y255-W285 AromaticContact CE1-CH2 3.91Å; Y255-W285 HydrophobicContact CE1-CH2 3.91Å; Y255-W285 AromaticContact CE1-CZ2 3.82Å; Y255-W285 HydrophobicContact CE1-CZ2 3.82Å; L280-W285 PolarHBondContact O-NE1 3.47Å; E283-W285 PolarHBondContact O-N 3.19Å; W285-L288 HydrophobicContact CB-CD2 4.29Å; W285-L288 HydrophobicContact CD2-CD1 4.26Å; W285-L288 HydrophobicContact CD2-CD2 3.78Å; W285-L288 HydrophobicContact CD2-CG 3.88Å; W285-L288 HydrophobicContact CE3-CD1 4.34Å; W285-L288 HydrophobicContact CE3-CD2 3.94Å; W285-L288 HydrophobicContact CE3-CG 3.68Å; W285-L288 HydrophobicContact CG-CD2 3.94Å; W285-L288 HydrophobicContact CH2-CD1 4Å; W285-L288 HydrophobicContact CH2-CG 4.12Å; W285-L288 HydrophobicContact CZ2-CD1 3.91Å; W285-L288 HydrophobicContact CZ2-CG 4.3Å; W285-L288 HydrophobicContact CZ3-CD1 4.23Å; W285-L288 HydrophobicContact CZ3-CG 3.81Å; W285-Q301 HydrophobicContact CH2-CG 3.44Å; W285-Q301 VanDerWaalsContact CH2-CG 3.44Å; W285-Q301 HydrophobicContact CZ2-CG 3.91Å; W285-Q301 HydrophobicContact CZ3-CG 3.8Å; W285-I352 HydrophobicContact CB-CD1 3.83Å; W285-I352 HydrophobicContact CB-CG1 4.37Å
286	M	90.8	Very high	82.8	Confident	11 Å²	11	40.2 Å²	40.2	5%	0.054	22%	0.217	C	C	.	.	S	Bend	trans	-110.2	-36.8	178.1	-178.1	170.2	-127.3	0	0	112.3	L307 I328 L329 K332 L350	M286-L307 HydrophobicContact CE-CD2 3.6Å; M286-I328 HydrophobicContact CE-CG2 3.71Å; M286-I328 HydrophobicContact SD-CG2 3.69Å; M286-L329 HydrophobicContact CB-CD2 4.33Å; M286-L329 HydrophobicContact CG-CD2 4.46Å; M286-L329 HydrophobicContact SD-CD2 3.86Å; M286-K332 HydrophobicContact CE-CD 3.59Å; M286-K332 VanDerWaalsContact CE-NZ 3.26Å; M286-K332 HydrophobicContact SD-CD 3.82Å; M286-L350 HydrophobicContact CB-CB 4.19Å; M286-L350 PolarHBondContact N-O 3.1Å
287	I	94.7	Very high	83.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	123.8	-175.1	-43.6	-175.2	0	0	0	109.1	E289 K298 M299 F300 L325 L329 L350 R351 I352	I287-E289 HydrophobicContact CG2-CG 4.19Å; I287-K298 HydrophobicContact CG2-CB 4.33Å; I287-K298 HydrophobicContact CG2-CD 4.21Å; I287-M299 WeakPolarHBondContact CA-O 3.23Å; I287-F300 HydrophobicContact CB-CE1 4.31Å; I287-F300 HydrophobicContact CD1-CE1 4.01Å; I287-F300 HydrophobicContact CG1-CD1 4.23Å; I287-F300 HydrophobicContact CG1-CE1 3.77Å; I287-F300 HydrophobicContact CG2-CE1 3.93Å; I287-F300 HydrophobicContact CG2-CZ 4.33Å; I287-L325 HydrophobicContact CD1-CD1 3.61Å; I287-L325 HydrophobicContact CD1-CD2 3.52Å; I287-L325 HydrophobicContact CD1-CG 3.46Å; I287-L325 VanDerWaalsContact CD1-CG 3.46Å; I287-L329 HydrophobicContact CD1-CD1 4.11Å; I287-L329 HydrophobicContact CD1-CD2 4.3Å; I287-L329 HydrophobicContact CD1-CG 4.28Å; I287-L350 PolarHBondContact N-O 3.09Å; I287-R351 HydrophobicContact CB-CG 4.34Å; I287-R351 CarbonylContact O-C 3.59Å; I287-R351 WeakPolarHBondContact O-CA 3.47Å; I287-I352 PolarHBondContact O-N 3.17Å
288	L	94.5	Very high	83.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	129.6	164.7	-53.9	-178.7	0	0	0	109.3	F276 A277 L280 W285 F290 M299 I352	F276-L288 HydrophobicContact CD1-CD1 4.14Å; F276-L288 HydrophobicContact CE1-CB 4.46Å; F276-L288 HydrophobicContact CE1-CD1 4.4Å; F276-L288 HydrophobicContact CE1-CD2 4.13Å; A277-L288 HydrophobicContact CB-CD1 3.87Å; L280-L288 HydrophobicContact CD1-CD1 4.34Å; L280-L288 HydrophobicContact CD1-CD2 3.55Å; W285-L288 HydrophobicContact CB-CD2 4.29Å; W285-L288 HydrophobicContact CD2-CD1 4.26Å; W285-L288 HydrophobicContact CD2-CD2 3.78Å; W285-L288 HydrophobicContact CD2-CG 3.88Å; W285-L288 HydrophobicContact CE3-CD1 4.34Å; W285-L288 HydrophobicContact CE3-CD2 3.94Å; W285-L288 HydrophobicContact CE3-CG 3.68Å; W285-L288 HydrophobicContact CG-CD2 3.94Å; W285-L288 HydrophobicContact CH2-CD1 4Å; W285-L288 HydrophobicContact CH2-CG 4.12Å; W285-L288 HydrophobicContact CZ2-CD1 3.91Å; W285-L288 HydrophobicContact CZ2-CG 4.3Å; W285-L288 HydrophobicContact CZ3-CD1 4.23Å; W285-L288 HydrophobicContact CZ3-CG 3.81Å; L288-F290 HydrophobicContact CB-CE2 3.91Å; L288-F290 HydrophobicContact CB-CZ 4.19Å; L288-M299 HydrophobicContact CB-CB 4.18Å; L288-M299 HydrophobicContact CD1-SD 4.18Å; L288-M299 PolarHBondContact N-O 3.03Å; L288-M299 PolarHBondContact O-N 2.87Å; L288-I352 CarbonylContact C-O 3.55Å; L288-I352 WeakPolarHBondContact CA-O 3.28Å; L288-I352 HydrophobicContact CD2-CB 3.87Å
289	E	92.9	Very high	84.9	Confident	4 Å²	4	35.1 Å²	35.1	2%	0.019	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.3	-178.1	-53.9	-167	131.9	0	0	111.8	I287 K298 R351 I352 R353 F354	I287-E289 HydrophobicContact CG2-CG 4.19Å; E289-K298 HydrophobicContact CB-CD 4.29Å; E289-K298 HydrophobicContact CG-CD 3.73Å; E289-K298 WeakPolarHBondContact OE1-CE 3.47Å; E289-R351 VanDerWaalsContact CD-NH2 3.33Å; E289-R351 HydrophobicContact CG-CG 3.99Å; E289-R351 IonicContact OE1-CZ 3.8Å; E289-R351 IonicContact OE1-NE 3.89Å; E289-R351 PolarHBondContact OE1-NE 3.06Å; E289-R351 IonicContact OE1-NH1 2.7Å; E289-R351 IonicContact OE1-NH2 2.63Å; E289-R351 PolarHBondContact OE1-NH2 2.69Å; E289-R351 IonicContact OE2-CZ 3.72Å; E289-R351 VanDerWaalsContact OE2-CZ 3.28Å; E289-R351 IonicContact OE2-NE 3.63Å; E289-R351 PolarHBondContact OE2-NE 3.45Å; E289-R351 IonicContact OE2-NH2 3.29Å; E289-R351 PolarHBondContact OE2-NH2 3.22Å; E289-I352 PolarHBondContact N-O 2.85Å; E289-R353 HydrophobicContact CB-CB 4.17Å; E289-R353 HydrophobicContact CB-CG 4.1Å; E289-F354 PolarHBondContact O-N 3.06Å
290	F	93.9	Very high	86	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-112.8	4.2	176.4	-59.5	-80.8	0	0	0	113.1	I257 I273 F276 L288 G297 M299 F354 S357 L358 F359	I257-F290 HydrophobicContact CD1-CD2 3.89Å; I257-F290 HydrophobicContact CD1-CE2 4.39Å; I273-F290 HydrophobicContact CB-CE1 4.14Å; I273-F290 HydrophobicContact CB-CE2 4.41Å; I273-F290 HydrophobicContact CB-CZ 3.98Å; I273-F290 HydrophobicContact CG1-CD1 3.77Å; I273-F290 HydrophobicContact CG1-CD2 4.15Å; I273-F290 HydrophobicContact CG1-CE1 3.69Å; I273-F290 HydrophobicContact CG1-CE2 4.08Å; I273-F290 HydrophobicContact CG1-CG 4Å; I273-F290 HydrophobicContact CG1-CZ 3.85Å; I273-F290 HydrophobicContact CG2-CE1 4.37Å; I273-F290 HydrophobicContact CG2-CE2 3.82Å; I273-F290 HydrophobicContact CG2-CZ 3.7Å; F276-F290 HydrophobicContact CB-CE1 4.31Å; F276-F290 AromaticContact CD1-CE1 3.72Å; F276-F290 HydrophobicContact CD1-CE1 3.72Å; F276-F290 AromaticContact CD1-CZ 3.76Å; F276-F290 HydrophobicContact CD1-CZ 3.76Å; F276-F290 HydrophobicContact CE1-CE1 4.47Å; F276-F290 HydrophobicContact CG-CE1 4.33Å; L288-F290 HydrophobicContact CB-CE2 3.91Å; L288-F290 HydrophobicContact CB-CZ 4.19Å; F290-G297 PolarHBondContact N-O 2.81Å; F290-M299 HydrophobicContact CD2-CB 4.35Å; F290-M299 HydrophobicContact CE2-CB 3.82Å; F290-M299 HydrophobicContact CE2-CG 4.43Å; F290-M299 HydrophobicContact CE2-SD 3.64Å; F290-M299 HydrophobicContact CZ-SD 4.06Å; F290-F354 HydrophobicContact CD1-CB 3.52Å; F290-F354 HydrophobicContact CD1-CD1 4.04Å; F290-F354 AromaticContact CD1-CG 3.86Å; F290-F354 HydrophobicContact CD1-CG 3.86Å; F290-F354 HydrophobicContact CE1-CB 3.7Å; F290-F354 HydrophobicContact CE1-CD2 4.46Å; F290-F354 AromaticContact CE1-CG 3.98Å; F290-F354 HydrophobicContact CE1-CG 3.98Å; F290-F354 HydrophobicContact CG-CB 4.47Å; F290-S357 CarbonylContact O-C 3.56Å; F290-S357 WeakPolarHBondContact O-CA 3.38Å; F290-L358 HydrophobicContact CB-CB 4.39Å; F290-L358 HydrophobicContact CB-CD1 4.38Å; F290-L358 HydrophobicContact CD1-CD1 3.63Å; F290-L358 HydrophobicContact CD1-CG 4.34Å; F290-L358 HydrophobicContact CE1-CD1 4.33Å; F290-L358 HydrophobicContact CG-CD1 4.29Å; F290-L358 PolarHBondContact O-N 3.14Å; F290-F359 HydrophobicContact CB-CD2 3.73Å; F290-F359 HydrophobicContact CB-CE2 3.57Å; F290-F359 HydrophobicContact CG-CE2 4.37Å
291	S	89.6	Confident	86.8	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.178	C	C	.	.			trans	-149.6	147.4	166.6	174.5	0	0	0	0	110	L293 K298 D377	S291-L293 VanDerWaalsContact C-N 3.31Å; S291-L293 PolarHBondContact OG-N 2.88Å; S291-L293 VanDerWaalsContact OG-N 3.09Å; S291-K298 PolarHBondContact O-NZ 2.72Å; S291-D377 PolarHBondContact OG-OD2 3.37Å
292	Q	81.3	Confident	87.7	Confident	96 Å²	96	30 Å²	30	45%	0.449	16%	0.161	S	C	.	.	S	Bend	trans	-76.3	-22.1	172.5	-162.7	169.2	6.2	0	0	112.5	G294 D377	Q292-G294 PolarHBondContact O-N 3.3Å; Q292-D377 PolarHBondContact N-OD2 3.25Å
293	L	79.7	Confident	88.9	Confident	27 Å²	27	27.8 Å²	27.8	14%	0.141	15%	0.145	C	C	.	.	S	Bend	trans	-81.5	119.2	-170.6	-61.6	-179.1	0	0	0	110.7	S291 F295 I296 H361 L375 D377	S291-L293 VanDerWaalsContact C-N 3.31Å; S291-L293 PolarHBondContact OG-N 2.88Å; S291-L293 VanDerWaalsContact OG-N 3.09Å; L293-F295 PolarHBondContact O-N 3.37Å; L293-I296 HydrophobicContact CB-CD1 4.26Å; L293-I296 WeakPolarHBondContact O-CB 3.31Å; L293-I296 PolarHBondContact O-N 2.85Å; L293-H361 HydrophobicContact CD1-CB 3.92Å; L293-L375 HydrophobicContact CD1-CB 4Å; L293-L375 HydrophobicContact CD2-CB 4.27Å; L293-D377 HydrophobicContact CD1-CB 3.78Å; L293-D377 HydrophobicContact CG-CB 3.93Å
294	G	77.8	Confident	89.7	Confident	39 Å²	39	24.7 Å²	24.7	40%	0.402	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	-132.5	169.7	0	0	0	0	0	113.4	Q292 K298 D322	Q292-G294 PolarHBondContact O-N 3.3Å; G294-K298 WeakPolarHBondContact O-CE 3.43Å; G294-K298 PolarHBondContact O-NZ 3.17Å; G294-D322 WeakPolarHBondContact CA-OD1 3.41Å
295	F	84.4	Confident	90.4	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.009	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	7.9	-176.9	-147.5	-135.1	0	0	0	113.3	Y242 M246 Q258 L293 K298 F300 I321 D322 L325	Y242-F295 AromaticContact CD2-CD1 3.5Å; Y242-F295 HydrophobicContact CD2-CD1 3.5Å; Y242-F295 VanDerWaalsContact CD2-CD1 3.5Å; Y242-F295 AromaticContact CD2-CE1 3.56Å; Y242-F295 HydrophobicContact CD2-CE1 3.56Å; Y242-F295 HydrophobicContact CE2-CB 4.42Å; Y242-F295 AromaticContact CE2-CD1 3.31Å; Y242-F295 HydrophobicContact CE2-CD1 3.31Å; Y242-F295 AromaticContact CE2-CE1 3.91Å; Y242-F295 HydrophobicContact CE2-CE1 3.91Å; Y242-F295 HydrophobicContact CE2-CG 4.23Å; Y242-F295 HydrophobicContact CG-CD1 4.47Å; Y242-F295 HydrophobicContact CG-CE1 4.33Å; M246-F295 HydrophobicContact CE-CE1 3.65Å; M246-F295 HydrophobicContact CE-CZ 3.76Å; Q258-F295 HydrophobicContact CB-CD1 4.38Å; Q258-F295 HydrophobicContact CB-CE1 4.35Å; Q258-F295 HydrophobicContact CG-CD1 3.47Å; Q258-F295 VanDerWaalsContact CG-CD1 3.47Å; Q258-F295 HydrophobicContact CG-CE1 3.7Å; Q258-F295 HydrophobicContact CG-CG 4.29Å; L293-F295 PolarHBondContact O-N 3.37Å; F295-K298 HydrophobicContact CD2-CG 4.01Å; F295-K298 HydrophobicContact CE2-CG 4.44Å; F295-K298 WeakPolarHBondContact O-CG 3.49Å; F295-F300 HydrophobicContact CE2-CZ 4.23Å; F295-F300 HydrophobicContact CZ-CE2 4.43Å; F295-F300 HydrophobicContact CZ-CZ 4.21Å; F295-I321 HydrophobicContact CB-CG2 4.33Å; F295-I321 HydrophobicContact CD1-CG1 3.82Å; F295-I321 HydrophobicContact CD1-CG2 4.24Å; F295-I321 HydrophobicContact CD2-CG1 4.12Å; F295-I321 HydrophobicContact CE1-CD1 4.14Å; F295-I321 HydrophobicContact CE1-CG1 3.52Å; F295-I321 HydrophobicContact CE2-CG1 3.83Å; F295-I321 HydrophobicContact CG-CG1 4.14Å; F295-I321 HydrophobicContact CG-CG2 4.16Å; F295-I321 HydrophobicContact CZ-CD1 4.04Å; F295-I321 HydrophobicContact CZ-CG1 3.53Å; F295-D322 PolarHBondContact N-OD1 3.25Å; F295-D322 VanDerWaalsContact N-OD1 3.1Å; F295-L325 HydrophobicContact CD2-CD2 4.06Å; F295-L325 HydrophobicContact CE2-CB 4.25Å; F295-L325 HydrophobicContact CE2-CD1 4.08Å; F295-L325 HydrophobicContact CE2-CD2 3.55Å; F295-L325 HydrophobicContact CE2-CG 4.15Å
296	I	90.8	Very high	90.4	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	136.7	178.8	-55.8	169.1	0	0	0	110.1	E260 I263 L293 K298 F359 H361	E260-I296 HydrophobicContact CB-CG1 4.09Å; E260-I296 HydrophobicContact CG-CD1 4.44Å; E260-I296 HydrophobicContact CG-CG1 3.68Å; E260-I296 WeakPolarHBondContact OE2-CD1 3.5Å; I263-I296 HydrophobicContact CD1-CG2 4.47Å; I263-I296 HydrophobicContact CG2-CD1 3.96Å; I263-I296 HydrophobicContact CG2-CG1 4.37Å; I263-I296 HydrophobicContact CG2-CG2 4Å; L293-I296 HydrophobicContact CB-CD1 4.26Å; L293-I296 WeakPolarHBondContact O-CB 3.31Å; L293-I296 PolarHBondContact O-N 2.85Å; I296-K298 VanDerWaalsContact C-N 3.25Å; I296-K298 PolarHBondContact O-N 2.88Å; I296-K298 PolarHBondContact O-NZ 3.26Å; I296-F359 HydrophobicContact CG2-CB 3.75Å; I296-F359 HydrophobicContact CG2-CG 4.24Å; I296-H361 HydrophobicContact CD1-CB 3.89Å
297	G	94.4	Very high	90.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	32.2	171.6	0	0	0	0	0	112.7	Q258 F290	Q258-G297 WeakPolarHBondContact O-CA 3.38Å; Q258-G297 PolarHBondContact O-N 3.34Å; F290-G297 PolarHBondContact N-O 2.81Å
298	K	96.3	Very high	90.3	Very high	5 Å²	5	21.4 Å²	21.4	2%	0.022	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	114.3	174.7	-56.8	-61	179.7	-77.4	0	108.6	I257 Q258 I287 E289 S291 G294 F295 I296 F300	I257-K298 WeakPolarHBondContact CA-O 3.22Å; Q258-K298 PolarHBondContact N-O 3.25Å; Q258-K298 PolarHBondContact O-N 3.33Å; I287-K298 HydrophobicContact CG2-CB 4.33Å; I287-K298 HydrophobicContact CG2-CD 4.21Å; E289-K298 HydrophobicContact CB-CD 4.29Å; E289-K298 HydrophobicContact CG-CD 3.73Å; E289-K298 WeakPolarHBondContact OE1-CE 3.47Å; S291-K298 PolarHBondContact O-NZ 2.72Å; G294-K298 WeakPolarHBondContact O-CE 3.43Å; G294-K298 PolarHBondContact O-NZ 3.17Å; F295-K298 HydrophobicContact CD2-CG 4.01Å; F295-K298 HydrophobicContact CE2-CG 4.44Å; F295-K298 WeakPolarHBondContact O-CG 3.49Å; I296-K298 VanDerWaalsContact C-N 3.25Å; I296-K298 PolarHBondContact O-N 2.88Å; I296-K298 PolarHBondContact O-NZ 3.26Å; K298-F300 HydrophobicContact CB-CE2 3.82Å; K298-F300 HydrophobicContact CB-CZ 3.84Å; K298-F300 WeakPolarHBondContact O-CE2 3.41Å
299	M	97.4	Very high	90.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	139	-177.3	178.1	-175.9	-176.8	0	0	110.7	I137 Y255 Y256 I257 I273 A277 I287 L288 F290	I137-M299 HydrophobicContact CG1-CE 4.49Å; Y255-M299 HydrophobicContact CD1-CE 3.63Å; Y255-M299 HydrophobicContact CD2-CE 3.42Å; Y255-M299 VanDerWaalsContact CD2-CE 3.42Å; Y255-M299 HydrophobicContact CE1-CE 4.3Å; Y255-M299 HydrophobicContact CE2-CE 4.12Å; Y255-M299 HydrophobicContact CG-CE 3.13Å; Y256-M299 CarbonylContact O-C 3.59Å; Y256-M299 VanDerWaalsContact O-CA 3.26Å; Y256-M299 WeakPolarHBondContact O-CA 3.35Å; I257-M299 HydrophobicContact CB-CB 4.2Å; I257-M299 HydrophobicContact CB-CG 4.48Å; I257-M299 HydrophobicContact CD1-CB 4.34Å; I257-M299 HydrophobicContact CG1-CB 4.1Å; I273-M299 HydrophobicContact CG2-CE 4.13Å; I273-M299 HydrophobicContact CG2-SD 3.57Å; I273-M299 VanDerWaalsContact CG2-SD 3.57Å; A277-M299 HydrophobicContact CB-CE 3.49Å; A277-M299 VanDerWaalsContact CB-CE 3.49Å; A277-M299 HydrophobicContact CB-SD 4.19Å; I287-M299 WeakPolarHBondContact CA-O 3.23Å; L288-M299 HydrophobicContact CB-CB 4.18Å; L288-M299 HydrophobicContact CD1-SD 4.18Å; L288-M299 PolarHBondContact N-O 3.03Å; L288-M299 PolarHBondContact O-N 2.87Å; F290-M299 HydrophobicContact CD2-CB 4.35Å; F290-M299 HydrophobicContact CE2-CB 3.82Å; F290-M299 HydrophobicContact CE2-CG 4.43Å; F290-M299 HydrophobicContact CE2-SD 3.64Å; F290-M299 HydrophobicContact CZ-SD 4.06Å
300	F	96.8	Very high	90.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	155.4	-176.5	-52.7	-80.8	0	0	0	109.6	M246 Y255 Y256 I287 F295 K298 L305 I308 L325	M246-F300 HydrophobicContact CE-CE2 4.33Å; Y255-F300 WeakPolarHBondContact CA-O 3.34Å; Y256-F300 HydrophobicContact CD1-CD2 4.04Å; Y256-F300 PolarHBondContact N-O 2.86Å; Y256-F300 PolarHBondContact O-N 3.17Å; I287-F300 HydrophobicContact CB-CE1 4.31Å; I287-F300 HydrophobicContact CD1-CE1 4.01Å; I287-F300 HydrophobicContact CG1-CD1 4.23Å; I287-F300 HydrophobicContact CG1-CE1 3.77Å; I287-F300 HydrophobicContact CG2-CE1 3.93Å; I287-F300 HydrophobicContact CG2-CZ 4.33Å; F295-F300 HydrophobicContact CE2-CZ 4.23Å; F295-F300 HydrophobicContact CZ-CE2 4.43Å; F295-F300 HydrophobicContact CZ-CZ 4.21Å; K298-F300 HydrophobicContact CB-CE2 3.82Å; K298-F300 HydrophobicContact CB-CZ 3.84Å; K298-F300 WeakPolarHBondContact O-CE2 3.41Å; F300-L305 HydrophobicContact CB-CD2 3.91Å; F300-L305 HydrophobicContact CD2-CD2 4.29Å; F300-L305 HydrophobicContact CG-CD2 4.28Å; F300-I308 HydrophobicContact CB-CD1 4.08Å; F300-I308 HydrophobicContact CD1-CD1 3.24Å; F300-I308 HydrophobicContact CE1-CD1 3.69Å; F300-I308 HydrophobicContact CG-CD1 3.7Å; F300-I308 HydrophobicContact CZ-CD1 4.48Å; F300-L325 HydrophobicContact CE1-CD1 3.83Å; F300-L325 HydrophobicContact CZ-CD1 3.91Å; F300-L325 HydrophobicContact CZ-CD2 4.41Å
301	Q	93.2	Very high	90.2	Very high	54 Å²	54	27.6 Å²	27.6	25%	0.252	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	135.6	164.1	-50.2	-170.3	18.4	0	0	108.7	Y255 W285 P303 D304 L305	Y255-Q301 HydrophobicContact CE1-CG 4.48Å; W285-Q301 HydrophobicContact CH2-CG 3.44Å; W285-Q301 VanDerWaalsContact CH2-CG 3.44Å; W285-Q301 HydrophobicContact CZ2-CG 3.91Å; W285-Q301 HydrophobicContact CZ3-CG 3.8Å; Q301-P303 VanDerWaalsContact C-CD 3.44Å; Q301-P303 VanDerWaalsContact C-N 3.32Å; Q301-D304 HydrophobicContact CB-CB 4.38Å; Q301-D304 WeakPolarHBondContact CB-OD2 3.48Å; Q301-D304 WeakPolarHBondContact O-CB 3.39Å; Q301-D304 PolarHBondContact O-N 2.85Å; Q301-L305 PolarHBondContact O-N 3.45Å
302	A	91.3	Very high	90.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.008	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-56.7	-37.6	-179	0	0	0	0	0	114.1	Q250 G253 I254 D304 L305	Q250-A302 PolarHBondContact NE2-O 3.39Å; G253-A302 WeakPolarHBondContact O-CB 3.19Å; I254-A302 WeakPolarHBondContact O-CB 3.37Å; I254-A302 PolarHBondContact O-N 3.24Å; I254-A302 VanDerWaalsContact O-N 3.11Å; A302-D304 VanDerWaalsContact C-N 3.31Å; A302-D304 PolarHBondContact O-N 2.89Å; A302-L305 WeakPolarHBondContact O-CB 3.34Å; A302-L305 WeakPolarHBondContact O-CG 3.24Å; A302-L305 PolarHBondContact O-N 2.82Å
303	P	86.8	Confident	91.1	Very high	49 Å²	49	23.4 Å²	23.4	32%	0.318	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-62.7	-33.5	173.7	-24.1	35.9	0	0	0	114	Q301 L305	Q301-P303 VanDerWaalsContact C-CD 3.44Å; Q301-P303 VanDerWaalsContact C-N 3.32Å; P303-L305 PolarHBondContact O-N 2.86Å
304	D	90.3	Very high	91.7	Very high	51 Å²	51	26.6 Å²	26.6	27%	0.273	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-73.4	-14.2	-178.7	-66.9	-27.6	0	0	0	112.9	Q301 A302 T306 L307 I308	Q301-D304 HydrophobicContact CB-CB 4.38Å; Q301-D304 WeakPolarHBondContact CB-OD2 3.48Å; Q301-D304 WeakPolarHBondContact O-CB 3.39Å; Q301-D304 PolarHBondContact O-N 2.85Å; A302-D304 VanDerWaalsContact C-N 3.31Å; A302-D304 PolarHBondContact O-N 2.89Å; D304-T306 PolarHBondContact O-N 3.3Å; D304-L307 PolarHBondContact O-N 3.25Å; D304-L307 VanDerWaalsContact O-N 3.16Å; D304-I308 WeakPolarHBondContact O-CG1 3.4Å; D304-I308 PolarHBondContact O-N 2.99Å
305	L	92.8	Very high	92.5	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-57.4	-33.5	176.7	-65.7	-179.2	0	0	0	112.4	M246 Q250 Y256 F300 Q301 A302 P303 L307 I308 V309	M246-L305 HydrophobicContact CB-CD1 4.41Å; M246-L305 HydrophobicContact CB-CD2 4.38Å; M246-L305 HydrophobicContact CG-CD2 4.16Å; M246-L305 HydrophobicContact SD-CD2 4.26Å; Q250-L305 HydrophobicContact CB-CD1 4.13Å; Y256-L305 HydrophobicContact CD1-CD1 4.3Å; Y256-L305 HydrophobicContact CD1-CD2 3.73Å; Y256-L305 HydrophobicContact CG-CD1 3.94Å; Y256-L305 HydrophobicContact CG-CD2 4.16Å; F300-L305 HydrophobicContact CB-CD2 3.91Å; F300-L305 HydrophobicContact CD2-CD2 4.29Å; F300-L305 HydrophobicContact CG-CD2 4.28Å; Q301-L305 PolarHBondContact O-N 3.45Å; A302-L305 WeakPolarHBondContact O-CB 3.34Å; A302-L305 WeakPolarHBondContact O-CG 3.24Å; A302-L305 PolarHBondContact O-N 2.82Å; P303-L305 PolarHBondContact O-N 2.86Å; L305-L307 PolarHBondContact O-N 3.45Å; L305-I308 HydrophobicContact CD2-CD1 4.41Å; L305-I308 PolarHBondContact O-N 3.2Å; L305-V309 VanDerWaalsContact O-CB 3.28Å; L305-V309 WeakPolarHBondContact O-CB 3.45Å; L305-V309 WeakPolarHBondContact O-CG2 3.46Å; L305-V309 PolarHBondContact O-N 3.4Å
306	T	88.7	Confident	93	Very high	47 Å²	47	29.2 Å²	29.2	29%	0.288	15%	0.148	S	C	.	.	H	α-helix	trans	-58.7	-49.2	177.1	-60.5	0	0	0	0	111.1	Q250 D304 I308 V309 E310	Q250-T306 PolarHBondContact NE2-OG1 3.45Å; Q250-T306 PolarHBondContact OE1-OG1 3.28Å; D304-T306 PolarHBondContact O-N 3.3Å; T306-I308 VanDerWaalsContact C-N 3.31Å; T306-I308 PolarHBondContact O-N 3.21Å; T306-V309 PolarHBondContact O-N 2.99Å; T306-E310 HydrophobicContact CG2-CG 4.41Å; T306-E310 WeakPolarHBondContact O-CB 3.45Å; T306-E310 VanDerWaalsContact O-CG 3.3Å; T306-E310 WeakPolarHBondContact O-CG 3.49Å; T306-E310 PolarHBondContact O-N 3.28Å
307	L	90.1	Very high	93.1	Very high	69 Å²	69	33.2 Å²	33.2	36%	0.361	17%	0.165	S	C	.	.	H	α-helix	trans	-62.1	-41.8	179.2	177	151.5	0	0	0	111.2	M286 D304 L305 F311 I328	M286-L307 HydrophobicContact CE-CD2 3.6Å; D304-L307 PolarHBondContact O-N 3.25Å; D304-L307 VanDerWaalsContact O-N 3.16Å; L305-L307 PolarHBondContact O-N 3.45Å; L307-F311 WeakPolarHBondContact O-CB 3.34Å; L307-F311 PolarHBondContact O-N 2.93Å; L307-I328 HydrophobicContact CD2-CG2 4.2Å
308	I	94.1	Very high	93	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-64.9	-49.2	-179.6	-64.7	163	0	0	0	110.1	M246 F300 D304 L305 T306 F311 I312 I328	M246-I308 HydrophobicContact SD-CG2 4.14Å; F300-I308 HydrophobicContact CB-CD1 4.08Å; F300-I308 HydrophobicContact CD1-CD1 3.24Å; F300-I308 HydrophobicContact CE1-CD1 3.69Å; F300-I308 HydrophobicContact CG-CD1 3.7Å; F300-I308 HydrophobicContact CZ-CD1 4.48Å; D304-I308 WeakPolarHBondContact O-CG1 3.4Å; D304-I308 PolarHBondContact O-N 2.99Å; L305-I308 HydrophobicContact CD2-CD1 4.41Å; L305-I308 PolarHBondContact O-N 3.2Å; T306-I308 VanDerWaalsContact C-N 3.31Å; T306-I308 PolarHBondContact O-N 3.21Å; I308-F311 PolarHBondContact O-N 2.87Å; I308-I312 HydrophobicContact CG2-CD1 3.7Å; I308-I312 HydrophobicContact CG2-CG1 4.49Å; I308-I312 WeakPolarHBondContact O-CD1 3.48Å; I308-I312 VanDerWaalsContact O-CG1 3.22Å; I308-I312 WeakPolarHBondContact O-CG1 3.44Å; I308-I312 PolarHBondContact O-N 3.36Å; I308-I328 HydrophobicContact CG2-CD1 4.43Å
309	V	93.9	Very high	92.8	Very high	8 Å²	8	39.8 Å²	39.8	5%	0.048	20%	0.195	C	C	.	.	H	α-helix	trans	-61.1	-45.7	178.9	167.6	0	0	0	0	111.2	C243 M246 M247 L305 T306 F311 I312 F313	C243-V309 HydrophobicContact CB-CG1 4.13Å; M246-V309 HydrophobicContact CB-CG2 3.69Å; M246-V309 HydrophobicContact SD-CG2 4.14Å; M247-V309 HydrophobicContact CG-CG1 3.84Å; M247-V309 HydrophobicContact CG-CG2 4.25Å; M247-V309 HydrophobicContact SD-CG1 4.01Å; L305-V309 VanDerWaalsContact O-CB 3.28Å; L305-V309 WeakPolarHBondContact O-CB 3.45Å; L305-V309 WeakPolarHBondContact O-CG2 3.46Å; L305-V309 PolarHBondContact O-N 3.4Å; T306-V309 PolarHBondContact O-N 2.99Å; V309-F311 VanDerWaalsContact C-N 3.34Å; V309-F311 PolarHBondContact O-N 2.89Å; V309-I312 PolarHBondContact O-N 3.35Å; V309-F313 HydrophobicContact CG1-CD2 3.62Å; V309-F313 HydrophobicContact CG1-CE2 3.24Å; V309-F313 HydrophobicContact CG1-CZ 3.95Å; V309-F313 WeakPolarHBondContact O-CD2 3.22Å; V309-F313 PolarHBondContact O-N 3.15Å
310	E	91.3	Very high	92.6	Very high	99 Å²	99	40.7 Å²	40.7	46%	0.463	20%	0.201	S	C	.	.	H	α-helix	trans	-60.5	-44	176.5	-75.8	-179.7	169.9	0	0	111.7	T306 I312 F313 M314	T306-E310 HydrophobicContact CG2-CG 4.41Å; T306-E310 WeakPolarHBondContact O-CB 3.45Å; T306-E310 VanDerWaalsContact O-CG 3.3Å; T306-E310 WeakPolarHBondContact O-CG 3.49Å; T306-E310 PolarHBondContact O-N 3.28Å; E310-I312 VanDerWaalsContact C-N 3.33Å; E310-I312 PolarHBondContact O-N 2.84Å; E310-F313 PolarHBondContact O-N 2.98Å; E310-M314 WeakPolarHBondContact O-CG 3.46Å; E310-M314 PolarHBondContact O-N 2.68Å
311	F	93.8	Very high	92.4	Very high	27 Å²	27	40.8 Å²	40.8	12%	0.118	20%	0.201	C	C	.	.	H	α-helix	trans	-62.4	-41.6	176.3	-170	-84.3	0	0	0	112.4	L307 I308 V309 M314 F315 L324 H327 I328	L307-F311 WeakPolarHBondContact O-CB 3.34Å; L307-F311 PolarHBondContact O-N 2.93Å; I308-F311 PolarHBondContact O-N 2.87Å; V309-F311 VanDerWaalsContact C-N 3.34Å; V309-F311 PolarHBondContact O-N 2.89Å; F311-M314 HydrophobicContact CB-CE 4.18Å; F311-M314 HydrophobicContact CD2-CE 3.81Å; F311-M314 HydrophobicContact CG-CE 4.25Å; F311-M314 WeakPolarHBondContact O-CB 3.43Å; F311-M314 PolarHBondContact O-N 2.91Å; F311-F315 HydrophobicContact CD1-CD2 4.17Å; F311-F315 HydrophobicContact CD2-CE2 4.33Å; F311-F315 AromaticContact CE1-CD2 3.85Å; F311-F315 HydrophobicContact CE1-CD2 3.85Å; F311-F315 HydrophobicContact CE1-CE2 4.3Å; F311-F315 HydrophobicContact CE2-CD2 4.25Å; F311-F315 AromaticContact CE2-CE2 3.89Å; F311-F315 HydrophobicContact CE2-CE2 3.89Å; F311-F315 AromaticContact CZ-CD2 3.9Å; F311-F315 HydrophobicContact CZ-CD2 3.9Å; F311-F315 AromaticContact CZ-CE2 3.88Å; F311-F315 HydrophobicContact CZ-CE2 3.88Å; F311-F315 WeakPolarHBondContact O-CD2 3.48Å; F311-F315 PolarHBondContact O-N 2.85Å; F311-L324 HydrophobicContact CE1-CB 4.38Å; F311-L324 HydrophobicContact CE1-CD2 4.29Å; F311-L324 WeakPolarHBondContact CE1-O 3.28Å; F311-H327 HydrophobicContact CE1-CB 4.28Å; F311-H327 HydrophobicContact CZ-CB 4.08Å; F311-I328 HydrophobicContact CB-CD1 3.87Å; F311-I328 HydrophobicContact CB-CG1 3.99Å; F311-I328 HydrophobicContact CD1-CD1 3.68Å; F311-I328 HydrophobicContact CD1-CG1 3.25Å; F311-I328 HydrophobicContact CD2-CG1 3.87Å; F311-I328 HydrophobicContact CE1-CD1 4.39Å; F311-I328 HydrophobicContact CE1-CG1 3.55Å; F311-I328 HydrophobicContact CE2-CG1 4.12Å; F311-I328 HydrophobicContact CG-CD1 3.83Å; F311-I328 HydrophobicContact CG-CG1 3.42Å; F311-I328 VanDerWaalsContact CG-CG1 3.42Å; F311-I328 HydrophobicContact CZ-CG1 3.98Å
312	I	95.8	Very high	92.3	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-64.4	-44	176	-62.9	158.6	0	0	0	109.9	N239 C243 I308 V309 E310 M314 F315 Y316 I321 L324	N239-I312 HydrophobicContact CB-CG2 3.8Å; C243-I312 WeakPolarHBondContact SG-CG2 3.42Å; I308-I312 HydrophobicContact CG2-CD1 3.7Å; I308-I312 HydrophobicContact CG2-CG1 4.49Å; I308-I312 WeakPolarHBondContact O-CD1 3.48Å; I308-I312 VanDerWaalsContact O-CG1 3.22Å; I308-I312 WeakPolarHBondContact O-CG1 3.44Å; I308-I312 PolarHBondContact O-N 3.36Å; V309-I312 PolarHBondContact O-N 3.35Å; E310-I312 VanDerWaalsContact C-N 3.33Å; E310-I312 PolarHBondContact O-N 2.84Å; I312-M314 VanDerWaalsContact C-N 3.26Å; I312-M314 PolarHBondContact O-N 3.45Å; I312-F315 CarbonylContact O-C 3.27Å; I312-F315 PolarHBondContact O-N 2.98Å; I312-Y316 VanDerWaalsContact O-CA 3.31Å; I312-Y316 WeakPolarHBondContact O-CA 3.38Å; I312-Y316 VanDerWaalsContact O-CB 3.32Å; I312-Y316 WeakPolarHBondContact O-CB 3.26Å; I312-Y316 PolarHBondContact O-N 3.44Å; I312-I321 HydrophobicContact CD1-CD1 3.4Å; I312-I321 HydrophobicContact CG1-CD1 3.7Å; I312-I321 HydrophobicContact CG2-CD1 4.25Å; I312-L324 HydrophobicContact CG2-CD1 4.18Å
313	F	93.8	Very high	92.4	Very high	7 Å²	7	47.4 Å²	47.4	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-30.2	176.6	-75.4	-39.2	0	0	0	113.9	I108 H111 L112 L240 C243 M247 V309 E310 F315 Y316	I108-F313 HydrophobicContact CB-CE2 4.47Å; I108-F313 HydrophobicContact CD1-CD2 4.37Å; I108-F313 HydrophobicContact CD1-CE1 4.44Å; I108-F313 HydrophobicContact CD1-CE2 3.42Å; I108-F313 VanDerWaalsContact CD1-CE2 3.42Å; I108-F313 HydrophobicContact CD1-CZ 3.47Å; I108-F313 VanDerWaalsContact CD1-CZ 3.47Å; I108-F313 HydrophobicContact CG1-CD2 4.11Å; I108-F313 HydrophobicContact CG1-CE2 3.64Å; I108-F313 HydrophobicContact CG1-CZ 3.96Å; H111-F313 HydrophobicContact CB-CB 4.02Å; L112-F313 HydrophobicContact CD1-CD1 3.96Å; L112-F313 HydrophobicContact CD1-CE1 3.63Å; L112-F313 HydrophobicContact CD1-CZ 4.21Å; L240-F313 HydrophobicContact CD2-CD1 4.06Å; L240-F313 HydrophobicContact CD2-CE1 3.85Å; C243-F313 HydrophobicContact CB-CD1 4.4Å; C243-F313 HydrophobicContact CB-CE1 3.6Å; C243-F313 HydrophobicContact CB-CE2 4.36Å; C243-F313 HydrophobicContact CB-CZ 3.58Å; M247-F313 HydrophobicContact CE-CE2 4.29Å; M247-F313 HydrophobicContact CE-CZ 3.79Å; M247-F313 HydrophobicContact SD-CE2 3.93Å; M247-F313 HydrophobicContact SD-CZ 4.06Å; V309-F313 HydrophobicContact CG1-CD2 3.62Å; V309-F313 HydrophobicContact CG1-CE2 3.24Å; V309-F313 HydrophobicContact CG1-CZ 3.95Å; V309-F313 WeakPolarHBondContact O-CD2 3.22Å; V309-F313 PolarHBondContact O-N 3.15Å; E310-F313 PolarHBondContact O-N 2.98Å; F313-F315 VanDerWaalsContact C-N 3.27Å; F313-F315 PolarHBondContact O-N 3.38Å; F313-Y316 VanDerWaalsContact O-CD1 3.31Å; F313-Y316 WeakPolarHBondContact O-CD1 3.43Å
314	M	91.7	Very high	92.7	Very high	94 Å²	94	45.2 Å²	45.2	46%	0.463	21%	0.214	S	C	.	.	H	α-helix	trans	-63.4	-33.9	172.7	-73.4	-170.4	-74.2	0	0	112.5	H111 E310 F311 I312	H111-M314 VanDerWaalsContact CE1-CG 3.48Å; H111-M314 WeakPolarHBondContact CE1-CG 3.29Å; E310-M314 WeakPolarHBondContact O-CG 3.46Å; E310-M314 PolarHBondContact O-N 2.68Å; F311-M314 HydrophobicContact CB-CE 4.18Å; F311-M314 HydrophobicContact CD2-CE 3.81Å; F311-M314 HydrophobicContact CG-CE 4.25Å; F311-M314 WeakPolarHBondContact O-CB 3.43Å; F311-M314 PolarHBondContact O-N 2.91Å; I312-M314 VanDerWaalsContact C-N 3.26Å; I312-M314 PolarHBondContact O-N 3.45Å
315	F	94.4	Very high	92.9	Very high	84 Å²	84	43.4 Å²	43.4	37%	0.368	20%	0.204	S	C	.	.	H	α-helix	trans	-130.1	16.4	-167.1	-58.6	-67.5	0	0	0	114.9	F311 I312 F313 K317 E318 K319 L324	F311-F315 HydrophobicContact CD1-CD2 4.17Å; F311-F315 HydrophobicContact CD2-CE2 4.33Å; F311-F315 AromaticContact CE1-CD2 3.85Å; F311-F315 HydrophobicContact CE1-CD2 3.85Å; F311-F315 HydrophobicContact CE1-CE2 4.3Å; F311-F315 HydrophobicContact CE2-CD2 4.25Å; F311-F315 AromaticContact CE2-CE2 3.89Å; F311-F315 HydrophobicContact CE2-CE2 3.89Å; F311-F315 AromaticContact CZ-CD2 3.9Å; F311-F315 HydrophobicContact CZ-CD2 3.9Å; F311-F315 AromaticContact CZ-CE2 3.88Å; F311-F315 HydrophobicContact CZ-CE2 3.88Å; F311-F315 WeakPolarHBondContact O-CD2 3.48Å; F311-F315 PolarHBondContact O-N 2.85Å; I312-F315 CarbonylContact O-C 3.27Å; I312-F315 PolarHBondContact O-N 2.98Å; F313-F315 VanDerWaalsContact C-N 3.27Å; F313-F315 PolarHBondContact O-N 3.38Å; F315-K317 PolarHBondContact O-N 3.2Å; F315-E318 HydrophobicContact CB-CB 4.4Å; F315-E318 HydrophobicContact CD1-CG 4.34Å; F315-E318 PolarHBondContact O-N 3.46Å; F315-K319 PolarHBondContact O-N 2.94Å; F315-L324 HydrophobicContact CB-CD1 4.43Å; F315-L324 HydrophobicContact CB-CD2 3.44Å; F315-L324 VanDerWaalsContact CB-CD2 3.44Å; F315-L324 HydrophobicContact CG-CD2 4.33Å
316	Y	94.8	Very high	92.9	Very high	12 Å²	12	45.9 Å²	45.9	5%	0.047	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.1	-172.1	75.7	-78	0	0	0	113.9	L112 P216 T236 N239 L240 I312 F313	L112-Y316 HydrophobicContact CD2-CE1 4.13Å; L112-Y316 HydrophobicContact CD2-CE2 4.47Å; P216-Y316 HydrophobicContact CG-CE2 4.09Å; T236-Y316 HydrophobicContact CG2-CD2 3.49Å; T236-Y316 VanDerWaalsContact CG2-CD2 3.49Å; T236-Y316 HydrophobicContact CG2-CE2 3.72Å; N239-Y316 PolarHBondContact ND2-O 3.27Å; L240-Y316 HydrophobicContact CD1-CD2 3.96Å; L240-Y316 HydrophobicContact CD1-CE2 3.89Å; L240-Y316 HydrophobicContact CD2-CD2 3.67Å; L240-Y316 HydrophobicContact CD2-CE2 4.03Å; L240-Y316 HydrophobicContact CD2-CG 4.02Å; L240-Y316 HydrophobicContact CG-CD2 3.74Å; L240-Y316 HydrophobicContact CG-CE2 4.15Å; L240-Y316 HydrophobicContact CG-CG 4.46Å; I312-Y316 VanDerWaalsContact O-CA 3.31Å; I312-Y316 WeakPolarHBondContact O-CA 3.38Å; I312-Y316 VanDerWaalsContact O-CB 3.32Å; I312-Y316 WeakPolarHBondContact O-CB 3.26Å; I312-Y316 PolarHBondContact O-N 3.44Å; F313-Y316 VanDerWaalsContact O-CD1 3.31Å; F313-Y316 WeakPolarHBondContact O-CD1 3.43Å
317	K	93.9	Very high	93.2	Very high	85 Å²	85	46.7 Å²	46.7	37%	0.37	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-27	174.8	-68.5	171.4	166.5	151.3	0	112.8	L221 R235 T236 F315	L221-K317 HydrophobicContact CD2-CD 4.25Å; L221-K317 HydrophobicContact CD2-CG 3.98Å; R235-K317 PolarHBondContact NH1-O 3.25Å; R235-K317 PolarHBondContact NH2-O 2.95Å; R235-K317 VanDerWaalsContact NH2-O 3.13Å; T236-K317 HydrophobicContact CG2-CG 4.02Å; F315-K317 PolarHBondContact O-N 3.2Å
318	E	92.1	Very high	93.4	Very high	95 Å²	95	43.7 Å²	43.7	44%	0.444	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-42.2	-164.2	-58.7	-52.4	140	0	0	112.8	F225 F315	F225-E318 WeakPolarHBondContact CE2-O 3.25Å; F315-E318 HydrophobicContact CB-CB 4.4Å; F315-E318 HydrophobicContact CD1-CG 4.34Å; F315-E318 PolarHBondContact O-N 3.46Å
319	K	93	Very high	93.4	Very high	48 Å²	48	43.7 Å²	43.7	21%	0.209	20%	0.202	C	C	.	.	S	Bend	trans	-141.2	154.8	-174.6	-71.5	-179.5	-174.6	-68.8	0	112.3	F225 N239 F315 W323 L324 H327	F225-K319 HydrophobicContact CE2-CG 4.08Å; F225-K319 HydrophobicContact CZ-CG 3.81Å; N239-K319 PolarHBondContact ND2-O 3.43Å; F315-K319 PolarHBondContact O-N 2.94Å; K319-W323 HydrophobicContact CB-CB 4.27Å; K319-W323 HydrophobicContact CD-CB 4.33Å; K319-W323 HydrophobicContact CD-CE3 4.29Å; K319-W323 HydrophobicContact CG-CE3 4.45Å; K319-L324 HydrophobicContact CB-CD2 3.76Å; K319-L324 HydrophobicContact CB-CG 4Å; K319-H327 WeakPolarHBondContact CE-NE2 3.41Å
320	P	92.8	Very high	93.4	Very high	20 Å²	20	48.8 Å²	48.8	13%	0.13	22%	0.221	C	C	.	.			trans	-66.4	158.1	168.9	30.4	-35.2	0	0	0	111.2	R235 D322 W323 L324	R235-P320 HydrophobicContact CB-CB 4.31Å; P320-D322 PolarHBondContact O-N 2.67Å; P320-W323 HydrophobicContact CG-CB 4.28Å; P320-W323 HydrophobicContact CG-CD2 4.21Å; P320-W323 HydrophobicContact CG-CG 3.96Å; P320-W323 PolarHBondContact O-N 2.8Å; P320-W323 VanDerWaalsContact O-N 3.14Å; P320-L324 PolarHBondContact O-N 2.88Å; P320-L324 VanDerWaalsContact O-N 3.11Å
321	I	93	Very high	93.5	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-54.5	-45.1	-172.8	-170.5	72.2	0	0	0	114.6	N239 Y242 F295 I312 W323 L324 L325	N239-I321 VanDerWaalsContact OD1-CA 3.29Å; N239-I321 WeakPolarHBondContact OD1-CA 3.36Å; N239-I321 VanDerWaalsContact OD1-CB 3.27Å; N239-I321 WeakPolarHBondContact OD1-CB 3.45Å; N239-I321 PolarHBondContact OD1-N 2.91Å; N239-I321 VanDerWaalsContact OD1-N 3.12Å; Y242-I321 HydrophobicContact CD2-CB 4.19Å; Y242-I321 HydrophobicContact CD2-CD1 4.23Å; Y242-I321 HydrophobicContact CD2-CG1 3.82Å; Y242-I321 HydrophobicContact CD2-CG2 4.17Å; Y242-I321 HydrophobicContact CE2-CB 4.31Å; Y242-I321 HydrophobicContact CE2-CG1 4.26Å; Y242-I321 HydrophobicContact CE2-CG2 3.78Å; F295-I321 HydrophobicContact CB-CG2 4.33Å; F295-I321 HydrophobicContact CD1-CG1 3.82Å; F295-I321 HydrophobicContact CD1-CG2 4.24Å; F295-I321 HydrophobicContact CD2-CG1 4.12Å; F295-I321 HydrophobicContact CE1-CD1 4.14Å; F295-I321 HydrophobicContact CE1-CG1 3.52Å; F295-I321 HydrophobicContact CE2-CG1 3.83Å; F295-I321 HydrophobicContact CG-CG1 4.14Å; F295-I321 HydrophobicContact CG-CG2 4.16Å; F295-I321 HydrophobicContact CZ-CD1 4.04Å; F295-I321 HydrophobicContact CZ-CG1 3.53Å; I312-I321 HydrophobicContact CD1-CD1 3.4Å; I312-I321 HydrophobicContact CG1-CD1 3.7Å; I312-I321 HydrophobicContact CG2-CD1 4.25Å; I321-W323 PolarHBondContact O-N 3.43Å; I321-L324 WeakPolarHBondContact O-CB 3.27Å; I321-L324 PolarHBondContact O-N 3.07Å; I321-L325 PolarHBondContact O-N 2.76Å
322	D	90	Very high	93.4	Very high	64 Å²	64	52.5 Å²	52.5	34%	0.342	24%	0.243	S	C	.	.	H	α-helix	trans	-58	-37.5	-177.5	-59.2	-64.7	0	0	0	111.2	G294 F295 P320 D326	G294-D322 WeakPolarHBondContact CA-OD1 3.41Å; F295-D322 PolarHBondContact N-OD1 3.25Å; F295-D322 VanDerWaalsContact N-OD1 3.1Å; P320-D322 PolarHBondContact O-N 2.67Å; D322-D326 PolarHBondContact O-N 3.3Å
323	W	92.6	Very high	93.1	Very high	129 Å²	129	54.1 Å²	54.1	49%	0.489	25%	0.253	S	S	.	.	H	α-helix	trans	-75.8	-42.4	179.5	-69	23.2	0	0	0	110	F225 K319 P320 I321 L325 D326 H327	F225-W323 HydrophobicContact CD1-CZ3 4.25Å; F225-W323 HydrophobicContact CE1-CZ3 4.09Å; F225-W323 HydrophobicContact CZ-CZ3 4.34Å; K319-W323 HydrophobicContact CB-CB 4.27Å; K319-W323 HydrophobicContact CD-CB 4.33Å; K319-W323 HydrophobicContact CD-CE3 4.29Å; K319-W323 HydrophobicContact CG-CE3 4.45Å; P320-W323 HydrophobicContact CG-CB 4.28Å; P320-W323 HydrophobicContact CG-CD2 4.21Å; P320-W323 HydrophobicContact CG-CG 3.96Å; P320-W323 PolarHBondContact O-N 2.8Å; P320-W323 VanDerWaalsContact O-N 3.14Å; I321-W323 PolarHBondContact O-N 3.43Å; W323-L325 PolarHBondContact O-N 2.89Å; W323-D326 PolarHBondContact O-N 3.03Å; W323-H327 PolarHBondContact O-N 3.37Å; W323-H327 PolarHBondContact O-ND1 3.48Å
324	L	95.1	Very high	93	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-56.7	-42.4	175.2	-67.3	179.2	0	0	0	111.3	F311 I312 F315 K319 P320 I321 H327 I328	F311-L324 HydrophobicContact CE1-CB 4.38Å; F311-L324 HydrophobicContact CE1-CD2 4.29Å; F311-L324 WeakPolarHBondContact CE1-O 3.28Å; I312-L324 HydrophobicContact CG2-CD1 4.18Å; F315-L324 HydrophobicContact CB-CD1 4.43Å; F315-L324 HydrophobicContact CB-CD2 3.44Å; F315-L324 VanDerWaalsContact CB-CD2 3.44Å; F315-L324 HydrophobicContact CG-CD2 4.33Å; K319-L324 HydrophobicContact CB-CD2 3.76Å; K319-L324 HydrophobicContact CB-CG 4Å; P320-L324 PolarHBondContact O-N 2.88Å; P320-L324 VanDerWaalsContact O-N 3.11Å; I321-L324 WeakPolarHBondContact O-CB 3.27Å; I321-L324 PolarHBondContact O-N 3.07Å; L324-H327 PolarHBondContact O-N 2.6Å; L324-H327 VanDerWaalsContact O-N 3.15Å; L324-I328 WeakPolarHBondContact O-CG1 3.28Å; L324-I328 PolarHBondContact O-N 3.32Å
325	L	93.5	Very high	93	Very high	13 Å²	13	52.9 Å²	52.9	7%	0.068	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-45.1	176.9	-165.7	73	0	0	0	112.5	I287 F295 F300 I321 W323 H327 I328 L329	I287-L325 HydrophobicContact CD1-CD1 3.61Å; I287-L325 HydrophobicContact CD1-CD2 3.52Å; I287-L325 HydrophobicContact CD1-CG 3.46Å; I287-L325 VanDerWaalsContact CD1-CG 3.46Å; F295-L325 HydrophobicContact CD2-CD2 4.06Å; F295-L325 HydrophobicContact CE2-CB 4.25Å; F295-L325 HydrophobicContact CE2-CD1 4.08Å; F295-L325 HydrophobicContact CE2-CD2 3.55Å; F295-L325 HydrophobicContact CE2-CG 4.15Å; F300-L325 HydrophobicContact CE1-CD1 3.83Å; F300-L325 HydrophobicContact CZ-CD1 3.91Å; F300-L325 HydrophobicContact CZ-CD2 4.41Å; I321-L325 PolarHBondContact O-N 2.76Å; W323-L325 PolarHBondContact O-N 2.89Å; L325-H327 VanDerWaalsContact C-N 3.27Å; L325-H327 PolarHBondContact O-N 2.78Å; L325-I328 HydrophobicContact CD1-CD1 4.47Å; L325-I328 WeakPolarHBondContact O-CB 3.21Å; L325-I328 PolarHBondContact O-N 2.92Å; L325-L329 PolarHBondContact O-N 2.81Å
326	D	92.9	Very high	92.8	Very high	54 Å²	54	53.9 Å²	53.9	29%	0.289	27%	0.265	S	S	.	.	H	α-helix	trans	-63	-35	174.7	-177.1	72.1	0	0	0	112.3	D322 W323 L329 W330 K347	D322-D326 PolarHBondContact O-N 3.3Å; W323-D326 PolarHBondContact O-N 3.03Å; D326-L329 PolarHBondContact O-N 3Å; D326-W330 PolarHBondContact O-N 3.22Å; D326-K347 IonicContact OD1-NZ 3.42Å; D326-K347 PolarHBondContact OD1-NZ 3.42Å; D326-K347 IonicContact OD2-NZ 2.7Å; D326-K347 PolarHBondContact OD2-NZ 2.82Å
327	H	94.8	Very high	92.8	Very high	65 Å²	65	61.9 Å²	61.9	30%	0.301	30%	0.302	S	S	.	.	H	α-helix	trans	-69.6	-33.5	176.4	-74.5	68.1	0	0	0	112.1	F311 K319 W323 L324 L325 L329 W330 V331	F311-H327 HydrophobicContact CE1-CB 4.28Å; F311-H327 HydrophobicContact CZ-CB 4.08Å; K319-H327 WeakPolarHBondContact CE-NE2 3.41Å; W323-H327 PolarHBondContact O-N 3.37Å; W323-H327 PolarHBondContact O-ND1 3.48Å; L324-H327 PolarHBondContact O-N 2.6Å; L324-H327 VanDerWaalsContact O-N 3.15Å; L325-H327 VanDerWaalsContact C-N 3.27Å; L325-H327 PolarHBondContact O-N 2.78Å; H327-L329 VanDerWaalsContact C-N 3.32Å; H327-L329 PolarHBondContact O-N 3.22Å; H327-W330 PolarHBondContact O-N 2.81Å; H327-V331 WeakPolarHBondContact O-CB 3.24Å; H327-V331 VanDerWaalsContact O-CG2 3.31Å; H327-V331 WeakPolarHBondContact O-CG2 3.18Å; H327-V331 PolarHBondContact O-N 2.98Å
328	I	94.6	Very high	92.7	Very high	5 Å²	5	63.2 Å²	63.2	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-56.9	-50.4	171.4	-66.2	171.8	0	0	0	109.4	M286 L307 I308 F311 L324 L325 W330 V331 K332	M286-I328 HydrophobicContact CE-CG2 3.71Å; M286-I328 HydrophobicContact SD-CG2 3.69Å; L307-I328 HydrophobicContact CD2-CG2 4.2Å; I308-I328 HydrophobicContact CG2-CD1 4.43Å; F311-I328 HydrophobicContact CB-CD1 3.87Å; F311-I328 HydrophobicContact CB-CG1 3.99Å; F311-I328 HydrophobicContact CD1-CD1 3.68Å; F311-I328 HydrophobicContact CD1-CG1 3.25Å; F311-I328 HydrophobicContact CD2-CG1 3.87Å; F311-I328 HydrophobicContact CE1-CD1 4.39Å; F311-I328 HydrophobicContact CE1-CG1 3.55Å; F311-I328 HydrophobicContact CE2-CG1 4.12Å; F311-I328 HydrophobicContact CG-CD1 3.83Å; F311-I328 HydrophobicContact CG-CG1 3.42Å; F311-I328 VanDerWaalsContact CG-CG1 3.42Å; F311-I328 HydrophobicContact CZ-CG1 3.98Å; L324-I328 WeakPolarHBondContact O-CG1 3.28Å; L324-I328 PolarHBondContact O-N 3.32Å; L325-I328 HydrophobicContact CD1-CD1 4.47Å; L325-I328 WeakPolarHBondContact O-CB 3.21Å; L325-I328 PolarHBondContact O-N 2.92Å; I328-W330 VanDerWaalsContact C-N 3.34Å; I328-W330 PolarHBondContact O-N 3.28Å; I328-V331 PolarHBondContact O-N 2.82Å; I328-K332 HydrophobicContact CG2-CD 4.06Å; I328-K332 WeakPolarHBondContact O-CG 3.48Å; I328-K332 PolarHBondContact O-N 2.91Å
329	L	92.9	Very high	92.7	Very high	1 Å²	1	63 Å²	63	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-62.9	-42.9	178.5	-62.4	173	0	0	0	111.4	M286 I287 L325 D326 H327 V331 K332 V333 K347 L350 R351	M286-L329 HydrophobicContact CB-CD2 4.33Å; M286-L329 HydrophobicContact CG-CD2 4.46Å; M286-L329 HydrophobicContact SD-CD2 3.86Å; I287-L329 HydrophobicContact CD1-CD1 4.11Å; I287-L329 HydrophobicContact CD1-CD2 4.3Å; I287-L329 HydrophobicContact CD1-CG 4.28Å; L325-L329 PolarHBondContact O-N 2.81Å; D326-L329 PolarHBondContact O-N 3Å; H327-L329 VanDerWaalsContact C-N 3.32Å; H327-L329 PolarHBondContact O-N 3.22Å; L329-V331 VanDerWaalsContact C-N 3.34Å; L329-V331 PolarHBondContact O-N 3.41Å; L329-K332 PolarHBondContact O-N 3.42Å; L329-V333 VanDerWaalsContact O-CG2 3.28Å; L329-V333 WeakPolarHBondContact O-CG2 3.44Å; L329-V333 PolarHBondContact O-N 3.49Å; L329-K347 HydrophobicContact CB-CD 4.32Å; L329-K347 HydrophobicContact CB-CG 3.94Å; L329-L350 HydrophobicContact CD2-CB 3.99Å; L329-R351 HydrophobicContact CD1-CB 3.75Å; L329-R351 HydrophobicContact CD1-CG 4.19Å
330	W	94.8	Very high	92.5	Very high	115 Å²	115	64.1 Å²	64.1	44%	0.436	33%	0.328	S	S	.	.	H	α-helix	trans	-56.6	-48.8	177.7	-171.3	94.2	0	0	0	111.7	D326 H327 I328 K332 C334 P336 C343	D326-W330 PolarHBondContact O-N 3.22Å; H327-W330 PolarHBondContact O-N 2.81Å; I328-W330 VanDerWaalsContact C-N 3.34Å; I328-W330 PolarHBondContact O-N 3.28Å; W330-K332 VanDerWaalsContact C-N 3.3Å; W330-K332 PolarHBondContact O-N 2.87Å; W330-C334 HydrophobicContact CD2-CB 4.28Å; W330-C334 HydrophobicContact CG-CB 4.02Å; W330-C334 VanDerWaalsContact O-CB 3.25Å; W330-C334 WeakPolarHBondContact O-CB 3.4Å; W330-C334 PolarHBondContact O-N 3.07Å; W330-P336 HydrophobicContact CH2-CG 4.5Å; W330-C343 VanDerWaalsContact CD1-SG 3.55Å
331	V	93.8	Very high	92.2	Very high	95 Å²	95	70 Å²	70	58%	0.576	35%	0.352	S	S	*	.	H	α-helix	trans	-64.1	-35.1	179.6	171.2	0	0	0	0	111.7	H327 I328 L329	H327-V331 WeakPolarHBondContact O-CB 3.24Å; H327-V331 VanDerWaalsContact O-CG2 3.31Å; H327-V331 WeakPolarHBondContact O-CG2 3.18Å; H327-V331 PolarHBondContact O-N 2.98Å; I328-V331 PolarHBondContact O-N 2.82Å; L329-V331 VanDerWaalsContact C-N 3.34Å; L329-V331 PolarHBondContact O-N 3.41Å
332	K	90.4	Very high	91.9	Very high	110 Å²	110	71.5 Å²	71.5	48%	0.478	36%	0.359	S	S	.	.	H	α-helix	trans	-77	-37.4	-176.9	-70.3	-173.8	84	152.8	0	113.8	M286 I328 L329 W330	M286-K332 HydrophobicContact CE-CD 3.59Å; M286-K332 VanDerWaalsContact CE-NZ 3.26Å; M286-K332 HydrophobicContact SD-CD 3.82Å; I328-K332 HydrophobicContact CG2-CD 4.06Å; I328-K332 WeakPolarHBondContact O-CG 3.48Å; I328-K332 PolarHBondContact O-N 2.91Å; L329-K332 PolarHBondContact O-N 3.42Å; W330-K332 VanDerWaalsContact C-N 3.3Å; W330-K332 PolarHBondContact O-N 2.87Å
333	V	89.6	Confident	91.8	Very high	35 Å²	35	69 Å²	69	21%	0.212	35%	0.346	C	S	.	.	H	α-helix	trans	-131.8	-11.7	-167.4	-57.7	0	0	0	0	116.3	L329 Q346 K347 L350	L329-V333 VanDerWaalsContact O-CG2 3.28Å; L329-V333 WeakPolarHBondContact O-CG2 3.44Å; L329-V333 PolarHBondContact O-N 3.49Å; V333-Q346 HydrophobicContact CB-CB 3.88Å; V333-Q346 HydrophobicContact CG2-CB 3.67Å; V333-K347 HydrophobicContact CG2-CG 4.14Å; V333-L350 HydrophobicContact CG1-CD1 3.32Å; V333-L350 HydrophobicContact CG1-CG 4.08Å
334	C	92.3	Very high	91.2	Very high	14 Å²	14	67.5 Å²	67.5	10%	0.095	35%	0.348	C	S	.	.			trans	-85.4	123.2	-179	-63.8	0	0	0	0	111.5	W330 P336 C343	W330-C334 HydrophobicContact CD2-CB 4.28Å; W330-C334 HydrophobicContact CG-CB 4.02Å; W330-C334 VanDerWaalsContact O-CB 3.25Å; W330-C334 WeakPolarHBondContact O-CB 3.4Å; W330-C334 PolarHBondContact O-N 3.07Å; C334-P336 WeakPolarHBondContact O-CD 3.2Å; C334-C343 HydrophobicContact CB-CB 3.72Å; C334-C343 WeakPolarHBondContact CB-SG 3.45Å; C334-C343 WeakPolarHBondContact SG-CA 3.49Å; C334-C343 WeakPolarHBondContact SG-CB 3.42Å; C334-C343 CovalentContact SG-SG 2.03Å; C334-C343 PolarHBondContact SG-SG 3.4Å
335	N	91.1	Very high	90.5	Very high	61 Å²	61	74.9 Å²	74.9	33%	0.326	38%	0.375	S	S	.	.			trans	-80.3	120.4	172.4	-176.4	-30.3	0	0	0	109.4	E337 K338	N335-E337 PolarHBondContact O-N 3.29Å; N335-E337 WeakPolarHBondContact OD1-CB 3.22Å; N335-E337 PolarHBondContact OD1-N 3.46Å; N335-K338 HydrophobicContact CB-CB 4.25Å; N335-K338 HydrophobicContact CB-CD 4.16Å; N335-K338 HydrophobicContact CB-CG 4.09Å; N335-K338 PolarHBondContact O-N 2.96Å; N335-K338 VanDerWaalsContact O-N 3.12Å
336	P	92.1	Very high	90	Very high	106 Å²	106	77.5 Å²	77.5	69%	0.688	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.4	-179.7	-23.4	34.5	0	0	0	114.9	W330 C334 K338	W330-P336 HydrophobicContact CH2-CG 4.5Å; C334-P336 WeakPolarHBondContact O-CD 3.2Å; P336-K338 VanDerWaalsContact C-N 3.34Å
337	E	94.5	Very high	89.6	Confident	180 Å²	180	75.8 Å²	75.8	84%	0.841	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-4.3	-179.7	-56.8	-176.5	158.6	0	0	113	N335	N335-E337 PolarHBondContact O-N 3.29Å; N335-E337 WeakPolarHBondContact OD1-CB 3.22Å; N335-E337 PolarHBondContact OD1-N 3.46Å
338	K	91.7	Very high	88.9	Confident	113 Å²	113	75.3 Å²	75.3	49%	0.491	39%	0.385	S	S	.	.	S	Bend	trans	-109.1	165.6	-178.5	-66.8	-170.1	-177.9	-177.8	0	112.3	N335 P336 H342	N335-K338 HydrophobicContact CB-CB 4.25Å; N335-K338 HydrophobicContact CB-CD 4.16Å; N335-K338 HydrophobicContact CB-CG 4.09Å; N335-K338 PolarHBondContact O-N 2.96Å; N335-K338 VanDerWaalsContact O-N 3.12Å; P336-K338 VanDerWaalsContact C-N 3.34Å; K338-H342 HydrophobicContact CB-CB 3.96Å; K338-H342 HydrophobicContact CD-CB 4.26Å; K338-H342 WeakPolarHBondContact CD-CD2 3.48Å; K338-H342 VanDerWaalsContact CD-CE1 3.48Å; K338-H342 WeakPolarHBondContact CD-CE1 3.15Å; K338-H342 VanDerWaalsContact CD-CG 3.46Å; K338-H342 VanDerWaalsContact CD-NE2 3.32Å; K338-H342 WeakPolarHBondContact CD-NE2 3.14Å; K338-H342 PolarHBondContact NZ-NE2 3.18Å
339	D	90.6	Very high	88.1	Confident	90 Å²	90	80 Å²	80	48%	0.481	41%	0.41	S	S	.	.			trans	-73	164.1	-177.5	75.2	-22	0	0	0	113.3	K341 H342 C343	D339-K341 PolarHBondContact O-N 3.44Å; D339-H342 WeakPolarHBondContact O-CB 3.42Å; D339-H342 PolarHBondContact O-N 2.6Å; D339-H342 VanDerWaalsContact O-N 3.1Å; D339-H342 WeakPolarHBondContact OD1-CB 3.25Å; D339-H342 PolarHBondContact OD1-N 2.92Å; D339-C343 PolarHBondContact O-N 2.85Å
340	A	90.4	Very high	87.7	Confident	71 Å²	71	80.9 Å²	80.9	59%	0.587	41%	0.414	S	S	*	.	H	α-helix	trans	-57.5	-37.9	178.9	0	0	0	0	0	112.2	H342 C343 D344	A340-H342 VanDerWaalsContact C-N 3.29Å; A340-H342 PolarHBondContact O-N 3.33Å; A340-C343 WeakPolarHBondContact O-CB 3.34Å; A340-C343 PolarHBondContact O-N 3.13Å; A340-C343 VanDerWaalsContact O-N 3.1Å; A340-D344 VanDerWaalsContact O-CG 3.25Å; A340-D344 PolarHBondContact O-N 3.32Å
341	K	85.8	Confident	87.4	Confident	145 Å²	145	79.6 Å²	79.6	63%	0.63	41%	0.409	S	S	*	.	H	α-helix	trans	-64.8	-32.2	178.8	-66	-176.7	178.7	179.7	0	112.8	D339 R345	D339-K341 PolarHBondContact O-N 3.44Å; K341-R345 WeakPolarHBondContact O-CB 3.47Å; K341-R345 WeakPolarHBondContact O-CG 3.42Å; K341-R345 PolarHBondContact O-N 3.42Å; K341-R345 PolarHBondContact O-NE 3.3Å
342	H	85.6	Confident	87	Confident	33 Å²	33	77 Å²	77	15%	0.153	39%	0.391	C	S	.	.	H	α-helix	trans	-66.5	-49.4	171.1	173.6	-83.7	0	0	0	110.4	K338 D339 A340 D344 R345 Q346	K338-H342 HydrophobicContact CB-CB 3.96Å; K338-H342 HydrophobicContact CD-CB 4.26Å; K338-H342 WeakPolarHBondContact CD-CD2 3.48Å; K338-H342 VanDerWaalsContact CD-CE1 3.48Å; K338-H342 WeakPolarHBondContact CD-CE1 3.15Å; K338-H342 VanDerWaalsContact CD-CG 3.46Å; K338-H342 VanDerWaalsContact CD-NE2 3.32Å; K338-H342 WeakPolarHBondContact CD-NE2 3.14Å; K338-H342 PolarHBondContact NZ-NE2 3.18Å; D339-H342 WeakPolarHBondContact O-CB 3.42Å; D339-H342 PolarHBondContact O-N 2.6Å; D339-H342 VanDerWaalsContact O-N 3.1Å; D339-H342 WeakPolarHBondContact OD1-CB 3.25Å; D339-H342 PolarHBondContact OD1-N 2.92Å; A340-H342 VanDerWaalsContact C-N 3.29Å; A340-H342 PolarHBondContact O-N 3.33Å; H342-D344 PolarHBondContact O-N 3.23Å; H342-R345 PolarHBondContact O-N 2.83Å; H342-Q346 VanDerWaalsContact CE1-CG 3.43Å; H342-Q346 WeakPolarHBondContact CE1-CG 3.48Å; H342-Q346 WeakPolarHBondContact O-CG 3.49Å; H342-Q346 PolarHBondContact O-N 3.46Å
343	C	88	Confident	86.7	Confident	12 Å²	12	73.9 Å²	73.9	8%	0.081	38%	0.377	C	S	.	.	H	α-helix	trans	-56.4	-47.2	177.9	175.1	0	0	0	0	111.8	W330 C334 D339 A340 R345 Q346 K347	W330-C343 VanDerWaalsContact CD1-SG 3.55Å; C334-C343 HydrophobicContact CB-CB 3.72Å; C334-C343 WeakPolarHBondContact CB-SG 3.45Å; C334-C343 WeakPolarHBondContact SG-CA 3.49Å; C334-C343 WeakPolarHBondContact SG-CB 3.42Å; C334-C343 CovalentContact SG-SG 2.03Å; C334-C343 PolarHBondContact SG-SG 3.4Å; D339-C343 PolarHBondContact O-N 2.85Å; A340-C343 WeakPolarHBondContact O-CB 3.34Å; A340-C343 PolarHBondContact O-N 3.13Å; A340-C343 VanDerWaalsContact O-N 3.1Å; C343-R345 VanDerWaalsContact C-N 3.33Å; C343-R345 PolarHBondContact O-N 3.14Å; C343-Q346 PolarHBondContact O-N 3.1Å; C343-Q346 VanDerWaalsContact O-N 3.14Å; C343-K347 WeakPolarHBondContact O-CG 3.48Å; C343-K347 PolarHBondContact O-N 2.75Å
344	D	81.5	Confident	86.5	Confident	97 Å²	97	73.5 Å²	73.5	52%	0.519	37%	0.372	S	S	.	.	H	α-helix	trans	-60.2	-41.5	178.7	-65.7	-25.5	0	0	0	112.3	A340 H342 K347 A348	A340-D344 VanDerWaalsContact O-CG 3.25Å; A340-D344 PolarHBondContact O-N 3.32Å; H342-D344 PolarHBondContact O-N 3.23Å; D344-K347 PolarHBondContact O-N 3.01Å; D344-A348 WeakPolarHBondContact O-CB 3.4Å; D344-A348 PolarHBondContact O-N 2.77Å
345	R	80.8	Confident	85.8	Confident	158 Å²	158	81 Å²	81	60%	0.596	40%	0.399	S	S	*	.	H	α-helix	trans	-63.9	-42.4	175.2	-79.9	179.7	-86.7	175.5	-7.2	112.1	K341 H342 C343 A348 N349	K341-R345 WeakPolarHBondContact O-CB 3.47Å; K341-R345 WeakPolarHBondContact O-CG 3.42Å; K341-R345 PolarHBondContact O-N 3.42Å; K341-R345 PolarHBondContact O-NE 3.3Å; H342-R345 PolarHBondContact O-N 2.83Å; C343-R345 VanDerWaalsContact C-N 3.33Å; C343-R345 PolarHBondContact O-N 3.14Å; R345-A348 PolarHBondContact O-N 2.97Å; R345-N349 PolarHBondContact O-N 3.24Å
346	Q	81.7	Confident	85.3	Confident	68 Å²	68	78.5 Å²	78.5	32%	0.318	39%	0.386	S	S	.	.	H	α-helix	trans	-66.4	-43.4	177.4	-66.7	-56.6	-58	0	0	111.6	V333 H342 C343 A348 N349	V333-Q346 HydrophobicContact CB-CB 3.88Å; V333-Q346 HydrophobicContact CG2-CB 3.67Å; H342-Q346 VanDerWaalsContact CE1-CG 3.43Å; H342-Q346 WeakPolarHBondContact CE1-CG 3.48Å; H342-Q346 WeakPolarHBondContact O-CG 3.49Å; H342-Q346 PolarHBondContact O-N 3.46Å; C343-Q346 PolarHBondContact O-N 3.1Å; C343-Q346 VanDerWaalsContact O-N 3.14Å; Q346-A348 VanDerWaalsContact C-N 3.29Å; Q346-A348 PolarHBondContact O-N 2.86Å; Q346-N349 PolarHBondContact O-N 3.42Å
347	K	84.4	Confident	85	Confident	17 Å²	17	73.5 Å²	73.5	7%	0.074	35%	0.353	C	S	.	.	H	α-helix	trans	-59.1	-42	175.2	-71.3	-178.2	169.1	-178	0	111.3	D326 L329 V333 C343 D344 N349 L350 R351	D326-K347 IonicContact OD1-NZ 3.42Å; D326-K347 PolarHBondContact OD1-NZ 3.42Å; D326-K347 IonicContact OD2-NZ 2.7Å; D326-K347 PolarHBondContact OD2-NZ 2.82Å; L329-K347 HydrophobicContact CB-CD 4.32Å; L329-K347 HydrophobicContact CB-CG 3.94Å; V333-K347 HydrophobicContact CG2-CG 4.14Å; C343-K347 WeakPolarHBondContact O-CG 3.48Å; C343-K347 PolarHBondContact O-N 2.75Å; D344-K347 PolarHBondContact O-N 3.01Å; K347-N349 PolarHBondContact O-N 2.87Å; K347-L350 PolarHBondContact O-N 2.74Å; K347-L350 VanDerWaalsContact O-N 3.14Å; K347-R351 VanDerWaalsContact O-CB 3.28Å; K347-R351 WeakPolarHBondContact O-CB 3.27Å; K347-R351 PolarHBondContact O-N 3.1Å
348	A	81.6	Confident	84.7	Confident	56 Å²	56	65.1 Å²	65.1	46%	0.463	31%	0.314	S	S	.	.	H	α-helix	trans	-62.7	-24.6	-180	0	0	0	0	0	114	D344 R345 Q346 R351	D344-A348 WeakPolarHBondContact O-CB 3.4Å; D344-A348 PolarHBondContact O-N 2.77Å; R345-A348 PolarHBondContact O-N 2.97Å; Q346-A348 VanDerWaalsContact C-N 3.29Å; Q346-A348 PolarHBondContact O-N 2.86Å; A348-R351 CarbonylContact O-C 3.58Å
349	N	77.2	Confident	84.7	Confident	103 Å²	103	59.8 Å²	59.8	55%	0.551	29%	0.291	S	S	*	.	H	α-helix	trans	-71.8	-36.3	174.9	-66.4	-17.3	0	0	0	112.1	R345 Q346 K347 I352	R345-N349 PolarHBondContact O-N 3.24Å; Q346-N349 PolarHBondContact O-N 3.42Å; K347-N349 PolarHBondContact O-N 2.87Å; N349-I352 WeakPolarHBondContact O-CG1 3.47Å
350	L	84.5	Confident	84.5	Confident	19 Å²	19	56.2 Å²	56.2	10%	0.099	27%	0.272	C	S	.	.	H	α-helix	trans	-90.6	-21	177.8	-68.5	-171.3	0	0	0	113.6	E284 M286 I287 L329 V333 K347	E284-L350 HydrophobicContact CG-CD2 4.12Å; M286-L350 HydrophobicContact CB-CB 4.19Å; M286-L350 PolarHBondContact N-O 3.1Å; I287-L350 PolarHBondContact N-O 3.09Å; L329-L350 HydrophobicContact CD2-CB 3.99Å; V333-L350 HydrophobicContact CG1-CD1 3.32Å; V333-L350 HydrophobicContact CG1-CG 4.08Å; K347-L350 PolarHBondContact O-N 2.74Å; K347-L350 VanDerWaalsContact O-N 3.14Å
351	R	88.4	Confident	84.2	Confident	89 Å²	89	53.9 Å²	53.9	34%	0.336	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	84.9	179.3	-177.3	-173.1	140	164.6	13.8	108.7	I287 E289 L329 K347 A348	I287-R351 HydrophobicContact CB-CG 4.34Å; I287-R351 CarbonylContact O-C 3.59Å; I287-R351 WeakPolarHBondContact O-CA 3.47Å; E289-R351 VanDerWaalsContact CD-NH2 3.33Å; E289-R351 HydrophobicContact CG-CG 3.99Å; E289-R351 IonicContact OE1-CZ 3.8Å; E289-R351 IonicContact OE1-NE 3.89Å; E289-R351 PolarHBondContact OE1-NE 3.06Å; E289-R351 IonicContact OE1-NH1 2.7Å; E289-R351 IonicContact OE1-NH2 2.63Å; E289-R351 PolarHBondContact OE1-NH2 2.69Å; E289-R351 IonicContact OE2-CZ 3.72Å; E289-R351 VanDerWaalsContact OE2-CZ 3.28Å; E289-R351 IonicContact OE2-NE 3.63Å; E289-R351 PolarHBondContact OE2-NE 3.45Å; E289-R351 IonicContact OE2-NH2 3.29Å; E289-R351 PolarHBondContact OE2-NH2 3.22Å; L329-R351 HydrophobicContact CD1-CB 3.75Å; L329-R351 HydrophobicContact CD1-CG 4.19Å; K347-R351 VanDerWaalsContact O-CB 3.28Å; K347-R351 WeakPolarHBondContact O-CB 3.27Å; K347-R351 PolarHBondContact O-N 3.1Å; A348-R351 CarbonylContact O-C 3.58Å
352	I	85.4	Confident	84	Confident	39 Å²	39	49.7 Å²	49.7	20%	0.2	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.3	-174.2	-52.9	176.1	0	0	0	108.5	F276 L280 W285 I287 L288 E289 N349	F276-I352 HydrophobicContact CE1-CG2 4.41Å; F276-I352 HydrophobicContact CZ-CG2 3.87Å; L280-I352 HydrophobicContact CD1-CB 4.34Å; L280-I352 HydrophobicContact CD1-CD1 3.97Å; L280-I352 HydrophobicContact CD1-CG2 3.99Å; L280-I352 HydrophobicContact CD2-CD1 4.19Å; W285-I352 HydrophobicContact CB-CD1 3.83Å; W285-I352 HydrophobicContact CB-CG1 4.37Å; I287-I352 PolarHBondContact O-N 3.17Å; L288-I352 CarbonylContact C-O 3.55Å; L288-I352 WeakPolarHBondContact CA-O 3.28Å; L288-I352 HydrophobicContact CD2-CB 3.87Å; E289-I352 PolarHBondContact N-O 2.85Å; N349-I352 WeakPolarHBondContact O-CG1 3.47Å
353	R	84.6	Confident	83.4	Confident	46 Å²	46	48.1 Å²	48.1	17%	0.174	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.7	-177.6	-179.1	169.7	177.9	-143.9	-12.8	111.1	E289 R355 S357 D377 D379	E289-R353 HydrophobicContact CB-CB 4.17Å; E289-R353 HydrophobicContact CB-CG 4.1Å; R353-R355 HydrophobicContact CG-CG 4.47Å; R353-S357 PolarHBondContact NH2-OG 3.11Å; R353-D377 IonicContact NH2-OD1 2.98Å; R353-D379 IonicContact CZ-OD2 2.78Å; R353-D379 IonicContact NH1-OD2 2.74Å; R353-D379 PolarHBondContact NH1-OD2 3.06Å; R353-D379 IonicContact NH2-OD2 2.84Å; R353-D379 PolarHBondContact NH2-OD2 3.46Å
354	F	83.9	Confident	82.6	Confident	27 Å²	27	51 Å²	51	12%	0.118	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-76.5	139.3	167.1	-175.6	-94.7	0	0	0	110.4	T272 F276 E289 F290 P356 L358 L384	T272-F354 HydrophobicContact CG2-CE1 3.74Å; T272-F354 HydrophobicContact CG2-CE2 3.78Å; T272-F354 HydrophobicContact CG2-CZ 3.26Å; F276-F354 HydrophobicContact CB-CD2 4.25Å; F276-F354 HydrophobicContact CD1-CB 4.15Å; F276-F354 HydrophobicContact CD1-CD2 4.15Å; F276-F354 AromaticContact CD2-CD2 3.64Å; F276-F354 HydrophobicContact CD2-CD2 3.64Å; F276-F354 HydrophobicContact CD2-CE2 4.26Å; F276-F354 HydrophobicContact CE1-CB 3.91Å; F276-F354 HydrophobicContact CE1-CD2 4.39Å; F276-F354 AromaticContact CE2-CD2 3.91Å; F276-F354 HydrophobicContact CE2-CD2 3.91Å; F276-F354 AromaticContact CG-CD2 3.75Å; F276-F354 HydrophobicContact CG-CD2 3.75Å; F276-F354 HydrophobicContact CG-CE2 4.49Å; F276-F354 HydrophobicContact CZ-CB 4.16Å; F276-F354 HydrophobicContact CZ-CD2 4.26Å; E289-F354 PolarHBondContact O-N 3.06Å; F290-F354 HydrophobicContact CD1-CB 3.52Å; F290-F354 HydrophobicContact CD1-CD1 4.04Å; F290-F354 AromaticContact CD1-CG 3.86Å; F290-F354 HydrophobicContact CD1-CG 3.86Å; F290-F354 HydrophobicContact CE1-CB 3.7Å; F290-F354 HydrophobicContact CE1-CD2 4.46Å; F290-F354 AromaticContact CE1-CG 3.98Å; F290-F354 HydrophobicContact CE1-CG 3.98Å; F290-F354 HydrophobicContact CG-CB 4.47Å; F354-P356 WeakPolarHBondContact CD1-O 3.48Å; F354-P356 VanDerWaalsContact CE1-O 3.24Å; F354-P356 WeakPolarHBondContact CE1-O 3.39Å; F354-L358 HydrophobicContact CD1-CD1 4.22Å; F354-L358 HydrophobicContact CD1-CD2 4.33Å; F354-L358 HydrophobicContact CD1-CG 4Å; F354-L358 HydrophobicContact CE1-CD1 4.25Å; F354-L358 HydrophobicContact CE1-CD2 3.8Å; F354-L358 HydrophobicContact CE1-CG 3.97Å; F354-L384 HydrophobicContact CZ-CD2 4.42Å
355	R	77.8	Confident	82.2	Confident	171 Å²	171	49.3 Å²	49.3	65%	0.645	23%	0.231	S	C	*	.	S	Bend	trans	-132.1	137.2	174	-65	-175.8	-178.3	130.7	0.6	109.4	R353	R353-R355 HydrophobicContact CG-CG 4.47Å
356	P	80.6	Confident	81.9	Confident	9 Å²	9	43.2 Å²	43.2	6%	0.058	21%	0.213	C	C	.	.	S	Bend	cis	-75.7	162.7	0	31.5	-34.6	0	0	0	112.9	F354 L358 D379 K382 L384	F354-P356 WeakPolarHBondContact CD1-O 3.48Å; F354-P356 VanDerWaalsContact CE1-O 3.24Å; F354-P356 WeakPolarHBondContact CE1-O 3.39Å; P356-L358 PolarHBondContact O-N 3.31Å; P356-D379 WeakPolarHBondContact CB-O 3.45Å; P356-K382 HydrophobicContact CB-CB 4.32Å; P356-L384 VanDerWaalsContact CD-CD2 3.4Å; P356-L384 HydrophobicContact CG-CD2 4.26Å; P356-L384 HydrophobicContact CG-CG 4.15Å
357	S	86	Confident	81.5	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.007	21%	0.208	C	C	.	.			trans	-59.3	136.1	176.8	-60	0	0	0	0	110.7	F290 R353 D377 D379	F290-S357 CarbonylContact O-C 3.56Å; F290-S357 WeakPolarHBondContact O-CA 3.38Å; R353-S357 PolarHBondContact NH2-OG 3.11Å; S357-D377 WeakPolarHBondContact CB-OD1 3.39Å; S357-D377 PolarHBondContact OG-OD1 3.17Å; S357-D377 PolarHBondContact OG-OD2 3.1Å; S357-D377 VanDerWaalsContact OG-OD2 3.1Å; S357-D379 PolarHBondContact N-O 2.84Å
358	L	88.3	Confident	80.8	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.021	21%	0.213	C	C	.	.	S	Bend	trans	-92.6	-17.3	-178.7	-62.1	-179.9	0	0	0	113	V265 K266 T272 I273 F290 F354 P356	V265-L358 WeakPolarHBondContact CA-O 3.4Å; K266-L358 HydrophobicContact CB-CD2 4.43Å; K266-L358 HydrophobicContact CD-CD2 4.29Å; K266-L358 PolarHBondContact N-O 2.74Å; T272-L358 HydrophobicContact CG2-CD1 3.98Å; T272-L358 HydrophobicContact CG2-CD2 4.24Å; I273-L358 HydrophobicContact CD1-CD1 4.16Å; I273-L358 HydrophobicContact CG1-CD1 3.58Å; F290-L358 HydrophobicContact CB-CB 4.39Å; F290-L358 HydrophobicContact CB-CD1 4.38Å; F290-L358 HydrophobicContact CD1-CD1 3.63Å; F290-L358 HydrophobicContact CD1-CG 4.34Å; F290-L358 HydrophobicContact CE1-CD1 4.33Å; F290-L358 HydrophobicContact CG-CD1 4.29Å; F290-L358 PolarHBondContact O-N 3.14Å; F354-L358 HydrophobicContact CD1-CD1 4.22Å; F354-L358 HydrophobicContact CD1-CD2 4.33Å; F354-L358 HydrophobicContact CD1-CG 4Å; F354-L358 HydrophobicContact CE1-CD1 4.25Å; F354-L358 HydrophobicContact CE1-CD2 3.8Å; F354-L358 HydrophobicContact CE1-CG 3.97Å; P356-L358 PolarHBondContact O-N 3.31Å
359	F	91.9	Very high	80.2	Confident	1 Å²	1	43.5 Å²	43.5	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	143.5	-176.6	-55.7	-79.1	0	0	0	110.8	L159 I257 L259 I263 I264 V265 Y269 I273 F290 I296	L159-F359 HydrophobicContact CD2-CE1 4.39Å; I257-F359 HydrophobicContact CD1-CE2 3.86Å; I257-F359 HydrophobicContact CD1-CZ 3.96Å; L259-F359 HydrophobicContact CD1-CE1 4.4Å; L259-F359 HydrophobicContact CD2-CD1 3.98Å; L259-F359 HydrophobicContact CD2-CD2 4.45Å; L259-F359 HydrophobicContact CD2-CE1 3.59Å; L259-F359 HydrophobicContact CD2-CE2 4.09Å; L259-F359 HydrophobicContact CD2-CG 4.39Å; L259-F359 HydrophobicContact CD2-CZ 3.65Å; I263-F359 HydrophobicContact CD1-CD1 3.79Å; I263-F359 HydrophobicContact CD1-CE1 4.35Å; I264-F359 WeakPolarHBondContact O-CA 3.38Å; V265-F359 HydrophobicContact CB-CD1 4.45Å; V265-F359 HydrophobicContact CG1-CD1 3.6Å; V265-F359 HydrophobicContact CG1-CE1 3.64Å; Y269-F359 HydrophobicContact CD2-CE1 4.22Å; Y269-F359 HydrophobicContact CD2-CZ 4.14Å; I273-F359 HydrophobicContact CD1-CE2 3.96Å; I273-F359 HydrophobicContact CD1-CZ 3.69Å; F290-F359 HydrophobicContact CB-CD2 3.73Å; F290-F359 HydrophobicContact CB-CE2 3.57Å; F290-F359 HydrophobicContact CG-CE2 4.37Å; I296-F359 HydrophobicContact CG2-CB 3.75Å; I296-F359 HydrophobicContact CG2-CG 4.24Å
360	Q	85.6	Confident	79.4	Confident	15 Å²	15	42.6 Å²	42.6	7%	0.07	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.6	173.7	174.1	58.4	62.6	0	0	110.8	I263 I264 V362 L375 Y380	I263-Q360 CarbonylContact C-O 3.49Å; I263-Q360 VanDerWaalsContact CA-O 3.22Å; I263-Q360 WeakPolarHBondContact CA-O 3.35Å; I264-Q360 HydrophobicContact CD1-CB 4.34Å; I264-Q360 HydrophobicContact CD1-CG 4.39Å; I264-Q360 HydrophobicContact CG1-CB 3.81Å; I264-Q360 HydrophobicContact CG1-CG 4.25Å; I264-Q360 PolarHBondContact N-O 2.67Å; I264-Q360 PolarHBondContact O-N 3.46Å; Q360-V362 HydrophobicContact CG-CG1 4.41Å; Q360-L375 PolarHBondContact NE2-O 2.85Å; Q360-Y380 HydrophobicContact CB-CD1 3.37Å; Q360-Y380 HydrophobicContact CB-CD2 3.54Å; Q360-Y380 HydrophobicContact CB-CE1 3.29Å; Q360-Y380 HydrophobicContact CB-CE2 3.45Å; Q360-Y380 VanDerWaalsContact CB-CE2 3.45Å; Q360-Y380 HydrophobicContact CB-CG 3.5Å; Q360-Y380 VanDerWaalsContact CB-CG 3.5Å; Q360-Y380 HydrophobicContact CG-CD1 3.55Å; Q360-Y380 HydrophobicContact CG-CE1 3.61Å; Q360-Y380 HydrophobicContact CG-CG 4.07Å
361	H	83.9	Confident	78.7	Confident	21 Å²	21	45.7 Å²	45.7	10%	0.097	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	128	172.6	178.5	-85.6	0	0	0	111	E260 D262 L293 I296 G363	E260-H361 IonicContact OE2-CD2 3.34Å; D262-H361 CarbonylContact O-C 3.43Å; D262-H361 WeakPolarHBondContact O-CA 3.13Å; D262-H361 IonicContact OD1-CD2 3.82Å; D262-H361 PolarHBondContact OD1-CD2 3.27Å; D262-H361 VanDerWaalsContact OD1-CD2 3.3Å; D262-H361 IonicContact OD1-NE2 3.37Å; D262-H361 IonicContact OD2-CD2 3.62Å; D262-H361 IonicContact OD2-NE2 2.8Å; D262-H361 PolarHBondContact OD2-NE2 2.89Å; L293-H361 HydrophobicContact CD1-CB 3.92Å; I296-H361 HydrophobicContact CD1-CB 3.89Å; H361-G363 PolarHBondContact CE1-O 3.08Å
362	V	81.8	Confident	77.6	Confident	57 Å²	57	46.5 Å²	46.5	35%	0.345	26%	0.255	S	S	.	.			trans	-118.7	-2.3	-179.4	-65.5	0	0	0	0	113	D262 I264 Q360 L364	D262-V362 WeakPolarHBondContact O-CG2 3.37Å; D262-V362 PolarHBondContact O-N 3.09Å; I264-V362 HydrophobicContact CB-CG1 4.41Å; I264-V362 HydrophobicContact CD1-CG1 3.82Å; I264-V362 HydrophobicContact CG1-CG1 3.73Å; I264-V362 HydrophobicContact CG2-CG1 3.92Å; I264-V362 HydrophobicContact CG2-CG2 4.09Å; Q360-V362 HydrophobicContact CG-CG1 4.41Å; V362-L364 PolarHBondContact O-N 3.12Å
363	G	73.5	Confident	76.4	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.01	26%	0.255	C	S	.	.			trans	-64.9	99.6	179.9	0	0	0	0	0	113.3	D262 H361 Q373	D262-G363 PolarHBondContact O-N 2.9Å; H361-G363 PolarHBondContact CE1-O 3.08Å; G363-Q373 VanDerWaalsContact O-O 3.1Å
364	L	71.1	Confident	75.7	Confident	73 Å²	73	52.5 Å²	52.5	38%	0.382	28%	0.282	S	S	.	.	S	Bend	trans	-70.4	-37.9	176.4	-173.6	67.2	0	0	0	112.2	Y151 V362 I372 Q373 K374	Y151-L364 PolarHBondContact OH-N 2.89Å; Y151-L364 VanDerWaalsContact OH-N 3.09Å; V362-L364 PolarHBondContact O-N 3.12Å; L364-I372 HydrophobicContact CD1-CG2 3.79Å; L364-I372 HydrophobicContact CG-CG2 4.18Å; L364-I372 CarbonylContact O-C 3.58Å; L364-I372 WeakPolarHBondContact O-CA 3.36Å; L364-Q373 WeakPolarHBondContact CA-O 3.34Å; L364-Q373 PolarHBondContact O-N 3.31Å; L364-K374 HydrophobicContact CD1-CG 3.75Å
365	H	72.8	Confident	75	Confident	61 Å²	61	54.7 Å²	54.7	28%	0.282	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-107.8	119.6	-178.1	-67	-80.9	0	0	0	110.6	R146 V148 Y151	R146-H365 PolarHBondContact NE-O 3.06Å; V148-H365 HydrophobicContact CB-CB 4.23Å; V148-H365 HydrophobicContact CG2-CB 4.5Å; Y151-H365 PolarHBondContact OH-N 3.01Å; Y151-H365 VanDerWaalsContact OH-N 3.15Å
366	S	75.4	Confident	74.3	Confident	30 Å²	30	51.8 Å²	51.8	21%	0.21	30%	0.295	C	S	.	.			trans	-71.7	158	177.6	-169.4	0	0	0	0	111.6	L368 K371	S366-L368 PolarHBondContact O-N 2.74Å; S366-L368 PolarHBondContact OG-N 2.73Å; S366-K371 VanDerWaalsContact CB-O 3.26Å; S366-K371 WeakPolarHBondContact CB-O 3.49Å; S366-K371 PolarHBondContact N-O 3.46Å
367	S	73	Confident	73.3	Confident	30 Å²	30	51.6 Å²	51.6	21%	0.21	29%	0.294	C	S	.	.	S	Bend	trans	-69.6	-14.9	165.6	56.1	0	0	0	0	113.3	V144 W234	V144-S367 VanDerWaalsContact CG2-CB 3.46Å; W234-S367 PolarHBondContact NE1-OG 2.87Å; W234-S367 VanDerWaalsContact NE1-OG 3.12Å
368	L	70.2	Confident	72	Confident	38 Å²	38	59.5 Å²	59.5	20%	0.199	33%	0.328	C	S	.	.	S	Bend	trans	-84.2	116.6	167.2	-170	68.7	0	0	0	109.4	S366 G370 K371	S366-L368 PolarHBondContact O-N 2.74Å; S366-L368 PolarHBondContact OG-N 2.73Å; L368-G370 PolarHBondContact O-N 3.22Å; L368-K371 HydrophobicContact CD2-CD 4.46Å; L368-K371 WeakPolarHBondContact O-CB 3.36Å; L368-K371 PolarHBondContact O-N 2.96Å; L368-K371 VanDerWaalsContact O-N 3.15Å
369	S	67.9	Low	70.4	Confident	78 Å²	78	60.2 Å²	60.2	55%	0.545	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	134	-172.9	-48.3	0	0	0	0	112.4	E147 K371	E147-S369 PolarHBondContact OE1-OG 2.95Å; S369-K371 VanDerWaalsContact C-N 3.29Å; S369-K371 PolarHBondContact O-N 3.06Å
370	G	61.4	Low	68.3	Low	84 Å²	84	62.1 Å²	62.1	87%	0.866	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	-4.6	178.9	0	0	0	0	0	116.1	L368	L368-G370 PolarHBondContact O-N 3.22Å
371	K	69.2	Low	66.5	Low	85 Å²	85	69.2 Å²	69.2	37%	0.37	38%	0.375	S	S	.	.			trans	-90	116.3	179.8	-174.9	-176	177.7	-158.3	0	111.9	S366 L368 S369	S366-K371 VanDerWaalsContact CB-O 3.26Å; S366-K371 WeakPolarHBondContact CB-O 3.49Å; S366-K371 PolarHBondContact N-O 3.46Å; L368-K371 HydrophobicContact CD2-CD 4.46Å; L368-K371 WeakPolarHBondContact O-CB 3.36Å; L368-K371 PolarHBondContact O-N 2.96Å; L368-K371 VanDerWaalsContact O-N 3.15Å; S369-K371 VanDerWaalsContact C-N 3.29Å; S369-K371 PolarHBondContact O-N 3.06Å
372	I	64.2	Low	64.9	Low	106 Å²	106	71.8 Å²	71.8	54%	0.544	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-95	127.1	172.7	-60.8	172.5	0	0	0	109.2	L364 K374	L364-I372 HydrophobicContact CD1-CG2 3.79Å; L364-I372 HydrophobicContact CG-CG2 4.18Å; L364-I372 CarbonylContact O-C 3.58Å; L364-I372 WeakPolarHBondContact O-CA 3.36Å; I372-K374 HydrophobicContact CG2-CG 4.45Å
373	Q	61.2	Low	63.2	Low	42 Å²	42	72 Å²	72	20%	0.196	39%	0.388	C	S	.	.			trans	-119.1	116.7	-176.9	-163.8	67.6	72.3	0	0	110.6	G363 L364 L375	G363-Q373 VanDerWaalsContact O-O 3.1Å; L364-Q373 WeakPolarHBondContact CA-O 3.34Å; L364-Q373 PolarHBondContact O-N 3.31Å; Q373-L375 HydrophobicContact CG-CB 4.38Å; Q373-L375 HydrophobicContact CG-CD1 3.71Å; Q373-L375 HydrophobicContact CG-CG 3.7Å
374	K	70.5	Confident	62.3	Low	168 Å²	168	75.7 Å²	75.7	73%	0.73	41%	0.407	S	S	*	.			trans	-113.6	46.8	175.6	-62.5	-177.4	-178.5	-178.9	0	111	L364 I372 T376	L364-K374 HydrophobicContact CD1-CG 3.75Å; I372-K374 HydrophobicContact CG2-CG 4.45Å; K374-T376 PolarHBondContact O-N 2.93Å
375	L	68.5	Low	61.4	Low	73 Å²	73	74.2 Å²	74.2	38%	0.382	40%	0.399	S	S	.	.			trans	-73.7	126.2	179.5	-68.2	170.5	0	0	0	109.8	L293 Q360 Q373	L293-L375 HydrophobicContact CD1-CB 4Å; L293-L375 HydrophobicContact CD2-CB 4.27Å; Q360-L375 PolarHBondContact NE2-O 2.85Å; Q373-L375 HydrophobicContact CG-CB 4.38Å; Q373-L375 HydrophobicContact CG-CD1 3.71Å; Q373-L375 HydrophobicContact CG-CG 3.7Å
376	T	63	Low	60.8	Low	110 Å²	110	72.2 Å²	72.2	68%	0.675	39%	0.391	S	S	*	.			trans	-113	131.2	166.1	50	0	0	0	0	108.4	K374 K378	K374-T376 PolarHBondContact O-N 2.93Å; T376-K378 PolarHBondContact O-N 2.77Å
377	D	59	Low	60.1	Low	5 Å²	5	77 Å²	77	3%	0.027	41%	0.408	C	S	.	.			trans	-76	122.8	175	-172.4	-54.4	0	0	0	107.2	S291 Q292 L293 R353 S357 D379 Y380	S291-D377 PolarHBondContact OG-OD2 3.37Å; Q292-D377 PolarHBondContact N-OD2 3.25Å; L293-D377 HydrophobicContact CD1-CB 3.78Å; L293-D377 HydrophobicContact CG-CB 3.93Å; R353-D377 IonicContact NH2-OD1 2.98Å; S357-D377 WeakPolarHBondContact CB-OD1 3.39Å; S357-D377 PolarHBondContact OG-OD1 3.17Å; S357-D377 PolarHBondContact OG-OD2 3.1Å; S357-D377 VanDerWaalsContact OG-OD2 3.1Å; D377-D379 PolarHBondContact O-N 2.89Å; D377-D379 VanDerWaalsContact O-N 3.12Å; D377-D379 PolarHBondContact OD1-N 2.78Å; D377-D379 VanDerWaalsContact OD1-N 3.08Å; D377-Y380 WeakPolarHBondContact O-CB 3.23Å; D377-Y380 PolarHBondContact O-N 2.9Å
378	K	58.8	Low	59.8	Low	167 Å²	167	80.5 Å²	80.5	73%	0.726	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-24.6	-171.6	-67.8	-175.8	179.8	-178.3	0	113.1	T376 K382	T376-K378 PolarHBondContact O-N 2.77Å; K378-K382 WeakPolarHBondContact O-CE 3.16Å
379	D	56	Low	59.9	Low	20 Å²	20	81.1 Å²	81.1	11%	0.107	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	0.7	-178.3	-59.9	-44.9	0	0	0	112.2	R353 P356 S357 D377 K382	R353-D379 IonicContact CZ-OD2 2.78Å; R353-D379 IonicContact NH1-OD2 2.74Å; R353-D379 PolarHBondContact NH1-OD2 3.06Å; R353-D379 IonicContact NH2-OD2 2.84Å; R353-D379 PolarHBondContact NH2-OD2 3.46Å; P356-D379 WeakPolarHBondContact CB-O 3.45Å; S357-D379 PolarHBondContact N-O 2.84Å; D377-D379 PolarHBondContact O-N 2.89Å; D377-D379 VanDerWaalsContact O-N 3.12Å; D377-D379 PolarHBondContact OD1-N 2.78Å; D377-D379 VanDerWaalsContact OD1-N 3.08Å; D379-K382 HydrophobicContact CB-CD 4.43Å; D379-K382 WeakPolarHBondContact OD1-CE 3.36Å; D379-K382 IonicContact OD1-NZ 3.26Å; D379-K382 PolarHBondContact OD1-NZ 3.35Å
380	Y	47.5	Very low	60.1	Low	41 Å²	41	84.2 Å²	84.2	16%	0.161	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	139.6	172.9	-172.8	-102	0	0	0	111	I264 Q360 D377 K382	I264-Y380 HydrophobicContact CD1-CE1 4.09Å; I264-Y380 VanDerWaalsContact CD1-OH 3.29Å; I264-Y380 WeakPolarHBondContact CD1-OH 3.31Å; I264-Y380 HydrophobicContact CG1-CE1 4.47Å; I264-Y380 WeakPolarHBondContact CG1-OH 3.47Å; Q360-Y380 HydrophobicContact CB-CD1 3.37Å; Q360-Y380 HydrophobicContact CB-CD2 3.54Å; Q360-Y380 HydrophobicContact CB-CE1 3.29Å; Q360-Y380 HydrophobicContact CB-CE2 3.45Å; Q360-Y380 VanDerWaalsContact CB-CE2 3.45Å; Q360-Y380 HydrophobicContact CB-CG 3.5Å; Q360-Y380 VanDerWaalsContact CB-CG 3.5Å; Q360-Y380 HydrophobicContact CG-CD1 3.55Å; Q360-Y380 HydrophobicContact CG-CE1 3.61Å; Q360-Y380 HydrophobicContact CG-CG 4.07Å; D377-Y380 WeakPolarHBondContact O-CB 3.23Å; D377-Y380 PolarHBondContact O-N 2.9Å; Y380-K382 PolarHBondContact O-N 3.42Å
381	M	47.6	Very low	61.1	Low	164 Å²	164	81.3 Å²	81.3	81%	0.808	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	1.1	-167.9	-59.2	-153.6	-74.4	0	0	116.6
382	K	49.9	Very low	61.8	Low	74 Å²	74	77.3 Å²	77.3	32%	0.322	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-62.8	132.6	163.3	-72.9	-170.1	179.3	176.3	0	108.7	P356 K378 D379 Y380 E450	P356-K382 HydrophobicContact CB-CB 4.32Å; K378-K382 WeakPolarHBondContact O-CE 3.16Å; D379-K382 HydrophobicContact CB-CD 4.43Å; D379-K382 WeakPolarHBondContact OD1-CE 3.36Å; D379-K382 IonicContact OD1-NZ 3.26Å; D379-K382 PolarHBondContact OD1-NZ 3.35Å; Y380-K382 PolarHBondContact O-N 3.42Å; K382-E450 IonicContact NZ-OE1 2.67Å; K382-E450 PolarHBondContact NZ-OE1 2.49Å
383	P	47.2	Very low	62.5	Low	61 Å²	61	76 Å²	76	40%	0.396	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-58.2	149.4	170.1	24	-29.5	0	0	0	108.4	L385	P383-L385 PolarHBondContact O-N 3.29Å
384	L	53.1	Low	63.6	Low	79 Å²	79	74.8 Å²	74.8	41%	0.414	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-54.9	117.4	164.2	-80.5	150.7	0	0	0	105.8	F354 P356 L386	F354-L384 HydrophobicContact CZ-CD2 4.42Å; P356-L384 VanDerWaalsContact CD-CD2 3.4Å; P356-L384 HydrophobicContact CG-CD2 4.26Å; P356-L384 HydrophobicContact CG-CG 4.15Å; L384-L386 WeakPolarHBondContact CB-O 3.32Å; L384-L386 PolarHBondContact O-N 3.15Å
385	L	53.8	Low	64.6	Low	42 Å²	42	72.4 Å²	72.4	22%	0.22	37%	0.374	C	S	.	.	S	Bend	trans	-57.5	-38.9	175.3	-68	173	0	0	0	108.3	P383 N448 Q449 E450 N526	P383-L385 PolarHBondContact O-N 3.29Å; L385-N448 HydrophobicContact CD2-CB 4.4Å; L385-Q449 HydrophobicContact CD2-CB 4.01Å; L385-Q449 HydrophobicContact CD2-CG 4.5Å; L385-E450 HydrophobicContact CD1-CG 4.19Å; L385-E450 HydrophobicContact CD2-CG 4.33Å; L385-N526 VanDerWaalsContact O-CG 3.31Å; L385-N526 PolarHBondContact O-ND2 2.99Å; L385-N526 PolarHBondContact O-OD1 3.4Å
386	L	59	Low	65.8	Low	20 Å²	20	69.8 Å²	69.8	11%	0.105	36%	0.361	C	S	.	.	S	Bend	trans	-85.3	122	177	-160.8	76.7	0	0	0	112.3	L384 I388 T411 G414 D416 F417 N526	L384-L386 WeakPolarHBondContact CB-O 3.32Å; L384-L386 PolarHBondContact O-N 3.15Å; L386-I388 HydrophobicContact CD2-CG1 3.92Å; L386-I388 HydrophobicContact CG-CG1 4.24Å; L386-T411 HydrophobicContact CD1-CG2 4.27Å; L386-G414 VanDerWaalsContact CD2-O 3.27Å; L386-G414 WeakPolarHBondContact CD2-O 3.2Å; L386-D416 WeakPolarHBondContact CD1-O 3.19Å; L386-F417 HydrophobicContact CD1-CB 4.32Å; L386-N526 VanDerWaalsContact CD1-O 3.29Å; L386-N526 WeakPolarHBondContact CD1-O 3.21Å
387	K	61.7	Low	67.3	Low	130 Å²	130	66.4 Å²	66.4	57%	0.565	34%	0.343	S	S	*	.	B	Isolated β-bridge	trans	-89.5	112	164.3	-79.5	177.4	-178.8	172.8	0	108.7	E527	K387-E527 HydrophobicContact CB-CG 3.82Å; K387-E527 WeakPolarHBondContact CB-OE1 3.43Å; K387-E527 VanDerWaalsContact CD-CD 3.49Å; K387-E527 VanDerWaalsContact CD-OE1 3.24Å; K387-E527 WeakPolarHBondContact CD-OE1 3.32Å; K387-E527 WeakPolarHBondContact CD-OE2 3.47Å; K387-E527 IonicContact NZ-OE2 2.81Å
388	I	65.1	Low	69.1	Low	103 Å²	103	67.8 Å²	67.8	53%	0.528	35%	0.351	S	S	.	.			trans	-88.1	128	-173.7	-56.8	168.8	0	0	0	109.6	L386 G414	L386-I388 HydrophobicContact CD2-CG1 3.92Å; L386-I388 HydrophobicContact CG-CG1 4.24Å; I388-G414 WeakPolarHBondContact CD1-O 3.25Å
389	H	72.6	Confident	70.9	Confident	52 Å²	52	62.1 Å²	62.1	24%	0.241	33%	0.332	C	S	.	.			trans	-124.3	151.9	173.3	-60.8	-75.3	0	0	0	110.4	N391 E527 H529	H389-N391 PolarHBondContact O-N 3.1Å; H389-N391 VanDerWaalsContact O-N 3.12Å; H389-E527 IonicContact CD2-OE1 2.68Å; H389-E527 IonicContact CE1-OE1 3.69Å; H389-E527 IonicContact NE2-OE1 2.9Å; H389-E527 PolarHBondContact NE2-OE1 3.03Å; H389-H529 HydrophobicContact CB-CB 4.06Å; H389-H529 AromaticContact CD2-CG 3.75Å; H389-H529 AromaticContact CD2-ND1 3.69Å; H389-H529 AromaticContact CE1-CE1 3.81Å; H389-H529 AromaticContact CE1-ND1 3.21Å; H389-H529 PolarHBondContact CE1-ND1 2.98Å; H389-H529 AromaticContact CG-CE1 3.83Å; H389-H529 AromaticContact CG-CG 3.43Å; H389-H529 VanDerWaalsContact CG-CG 3.43Å; H389-H529 AromaticContact CG-ND1 3.3Å; H389-H529 VanDerWaalsContact CG-ND1 3.3Å; H389-H529 AromaticContact ND1-CE1 3.28Å; H389-H529 PolarHBondContact ND1-CE1 2.67Å; H389-H529 VanDerWaalsContact ND1-CE1 3.28Å; H389-H529 AromaticContact ND1-CG 3.67Å; H389-H529 AromaticContact ND1-ND1 3Å; H389-H529 PolarHBondContact ND1-ND1 3.35Å; H389-H529 AromaticContact NE2-ND1 3.6Å
390	V	72.7	Confident	72.8	Confident	143 Å²	143	61.5 Å²	61.5	87%	0.867	33%	0.329	S	S	*	.			trans	-81.6	92.7	174.7	-176.7	0	0	0	0	109
391	N	81.8	Confident	75	Confident	23 Å²	23	67 Å²	67	12%	0.123	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-79.6	156	178.4	-70.3	-55.1	0	0	0	112.4	H389 Y412 I528 H529 I530	H389-N391 PolarHBondContact O-N 3.1Å; H389-N391 VanDerWaalsContact O-N 3.12Å; N391-Y412 HydrophobicContact CB-CE1 4.08Å; N391-Y412 HydrophobicContact CB-CE2 4.1Å; N391-I528 PolarHBondContact ND2-O 3.09Å; N391-I528 PolarHBondContact OD1-O 2.99Å; N391-H529 WeakPolarHBondContact OD1-CA 3.31Å; N391-I530 PolarHBondContact OD1-N 3.15Å
392	P	83.6	Confident	77.1	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.006	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-59.8	145.3	169.6	-17.5	29.9	0	0	0	111.2	A394 Y412 F433 V437 I530 K532	P392-A394 PolarHBondContact O-N 3.43Å; P392-Y412 VanDerWaalsContact O-CE1 3.25Å; P392-Y412 WeakPolarHBondContact O-CE1 3.27Å; P392-Y412 PolarHBondContact O-OH 3.39Å; P392-F433 HydrophobicContact CB-CD1 3.83Å; P392-F433 HydrophobicContact CB-CE1 3.79Å; P392-F433 HydrophobicContact CG-CD1 4.43Å; P392-F433 HydrophobicContact CG-CE1 3.91Å; P392-F433 HydrophobicContact CG-CZ 4.5Å; P392-V437 HydrophobicContact CB-CG1 4.28Å; P392-V437 HydrophobicContact CB-CG2 3.93Å; P392-V437 HydrophobicContact CG-CG1 4.04Å; P392-V437 HydrophobicContact CG-CG2 4.47Å; P392-I530 WeakPolarHBondContact CD-O 3.4Å; P392-I530 HydrophobicContact CG-CB 4.38Å; P392-I530 HydrophobicContact CG-CG2 4.11Å; P392-K532 VanDerWaalsContact CB-CE 3.47Å; P392-K532 HydrophobicContact CG-CD 4.47Å; P392-K532 HydrophobicContact CG-CG 4.02Å
393	P	79.2	Confident	78.7	Confident	79 Å²	79	61.8 Å²	61.8	51%	0.513	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-57.2	127.5	173.7	-25.7	35	0	0	0	111.9	D434	P393-D434 VanDerWaalsContact CB-OD2 3.31Å; P393-D434 WeakPolarHBondContact CB-OD2 3.21Å; P393-D434 PolarHBondContact O-N 3.5Å
394	A	85.5	Confident	80.1	Confident	16 Å²	16	65.6 Å²	65.6	13%	0.132	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	145.1	-179.4	0	0	0	0	0	111.5	P392 Y412 K432 F433	P392-A394 PolarHBondContact O-N 3.43Å; A394-Y412 HydrophobicContact CB-CE1 3.6Å; A394-Y412 WeakPolarHBondContact CB-OH 3.33Å; A394-K432 CarbonylContact C-O 3.58Å; A394-K432 WeakPolarHBondContact CA-O 3.12Å; A394-K432 WeakPolarHBondContact CB-O 3.47Å; A394-F433 HydrophobicContact CB-CD1 3.85Å; A394-F433 HydrophobicContact CB-CE1 4.35Å
395	E	90.3	Very high	81.3	Confident	117 Å²	117	63.4 Å²	63.4	55%	0.547	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	122.1	160.2	-176.5	-176.2	-168.3	0	0	108.1	K432	E395-K432 PolarHBondContact N-O 3.36Å; E395-K432 PolarHBondContact O-N 2.82Å; E395-K432 IonicContact OE2-NZ 3.69Å
396	V	93.8	Very high	82.7	Confident	18 Å²	18	62.9 Å²	62.9	11%	0.109	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	143.3	179.9	-53.9	0	0	0	0	110.8	L408 E409 Y412 L430 F431	V396-L408 HydrophobicContact CB-CD2 3.76Å; V396-L408 HydrophobicContact CB-CG 4.03Å; V396-L408 HydrophobicContact CG2-CB 4.38Å; V396-L408 HydrophobicContact CG2-CD2 4.06Å; V396-L408 HydrophobicContact CG2-CG 3.93Å; V396-E409 HydrophobicContact CG2-CB 4.18Å; V396-E409 HydrophobicContact CG2-CG 3.69Å; V396-Y412 HydrophobicContact CG1-CD1 3.83Å; V396-Y412 HydrophobicContact CG1-CD2 3.87Å; V396-Y412 HydrophobicContact CG1-CE1 4.34Å; V396-Y412 HydrophobicContact CG1-CE2 4.37Å; V396-Y412 HydrophobicContact CG1-CG 3.55Å; V396-L430 CarbonylContact C-O 3.57Å; V396-L430 VanDerWaalsContact CA-O 3.27Å; V396-L430 WeakPolarHBondContact CA-O 3.49Å; V396-F431 HydrophobicContact CB-CD1 4.36Å; V396-F431 HydrophobicContact CG1-CD1 3.61Å; V396-F431 HydrophobicContact CG1-CE1 4.2Å
397	S	95.8	Very high	84.1	Confident	40 Å²	40	63.7 Å²	63.7	28%	0.28	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	155.9	175.8	58.4	0	0	0	0	110.9	L430	S397-L430 PolarHBondContact N-O 2.91Å; S397-L430 PolarHBondContact O-N 2.87Å
398	T	97.1	Very high	85.5	Confident	34 Å²	34	57.5 Å²	57.5	21%	0.209	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	148.4	-178.4	178.3	0	0	0	0	110.9	L400 L408 F418 Y428	T398-L400 WeakPolarHBondContact OG1-CD1 3.46Å; T398-L400 PolarHBondContact OG1-N 2.84Å; T398-L400 VanDerWaalsContact OG1-N 3.09Å; T398-L408 HydrophobicContact CG2-CB 4.28Å; T398-L408 HydrophobicContact CG2-CD2 4.27Å; T398-F418 HydrophobicContact CG2-CE2 3.92Å; T398-F418 HydrophobicContact CG2-CZ 3.86Å; T398-Y428 VanDerWaalsContact CA-O 3.25Å; T398-Y428 WeakPolarHBondContact CA-O 3.12Å; T398-Y428 PolarHBondContact OG1-O 2.83Å; T398-Y428 VanDerWaalsContact OG1-O 3.06Å
399	S	96.5	Very high	86.5	Confident	47 Å²	47	56.7 Å²	56.7	33%	0.329	31%	0.309	S	S	.	.	S	Bend	trans	-87.2	-15.9	169.4	65.3	0	0	0	0	112.9	D427 Y428	S399-D427 WeakPolarHBondContact CB-OD1 3.47Å; S399-D427 WeakPolarHBondContact OG-CA 3.36Å; S399-D427 WeakPolarHBondContact OG-CB 3.33Å; S399-D427 PolarHBondContact OG-OD1 3.18Å; S399-Y428 PolarHBondContact N-O 3.32Å; S399-Y428 PolarHBondContact OG-N 2.98Å
400	L	95.3	Very high	86.9	Confident	8 Å²	8	57.8 Å²	57.8	4%	0.042	31%	0.313	C	S	.	.	S	Bend	trans	-69.7	140.5	-177.9	-66.8	94.1	0	0	0	111	T398 V402 F418 A420 P423 D427 Y428 I429 A523	T398-L400 WeakPolarHBondContact OG1-CD1 3.46Å; T398-L400 PolarHBondContact OG1-N 2.84Å; T398-L400 VanDerWaalsContact OG1-N 3.09Å; L400-V402 PolarHBondContact O-N 3.26Å; L400-F418 HydrophobicContact CB-CE1 4.47Å; L400-F418 HydrophobicContact CB-CZ 4.06Å; L400-A420 HydrophobicContact CB-CB 3.68Å; L400-A420 HydrophobicContact CD2-CB 3.81Å; L400-A420 HydrophobicContact CG-CB 4.42Å; L400-P423 HydrophobicContact CD2-CB 3.84Å; L400-P423 HydrophobicContact CD2-CG 3.64Å; L400-D427 HydrophobicContact CD1-CB 4.03Å; L400-D427 HydrophobicContact CG-CB 4.03Å; L400-Y428 WeakPolarHBondContact CD1-O 3.43Å; L400-I429 HydrophobicContact CD1-CD1 4.28Å; L400-I429 HydrophobicContact CD1-CG1 3.67Å; L400-A523 HydrophobicContact CD2-CB 4.41Å
401	K	92.8	Very high	87.6	Confident	156 Å²	156	51.3 Å²	51.3	68%	0.678	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-78.5	117.8	178.4	-56.3	-175.7	-171.9	168.8	0	110.7	A420 I421	K401-A420 WeakPolarHBondContact O-CA 3.33Å; K401-I421 HydrophobicContact CB-CD1 3.68Å; K401-I421 HydrophobicContact CB-CG1 3.87Å; K401-I421 HydrophobicContact CD-CD1 3.77Å; K401-I421 HydrophobicContact CG-CD1 4.11Å; K401-I421 PolarHBondContact O-N 2.86Å
402	V	92.4	Very high	87.7	Confident	61 Å²	61	50.9 Å²	50.9	37%	0.37	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-62.9	137.1	178.9	179.5	0	0	0	0	111.4	L400 T407 F418	L400-V402 PolarHBondContact O-N 3.26Å; V402-T407 HydrophobicContact CG1-CG2 3.94Å; V402-T407 HydrophobicContact CG2-CG2 4.37Å; V402-F418 HydrophobicContact CG2-CE2 3.99Å
403	Y	83.4	Confident	87.2	Confident	68 Å²	68	56.8 Å²	56.8	27%	0.267	30%	0.299	S	S	.	.	S	Bend	trans	-102.4	134.4	173	-175.7	-107.3	0	0	0	111	G405 H406 W419 I421 W522	Y403-G405 PolarHBondContact O-N 2.96Å; Y403-H406 PolarHBondContact O-CD2 3.31Å; Y403-H406 PolarHBondContact O-N 3.26Å; Y403-H406 VanDerWaalsContact O-N 3.09Å; Y403-W419 AromaticContact CD1-CD2 3.65Å; Y403-W419 HydrophobicContact CD1-CD2 3.65Å; Y403-W419 AromaticContact CD1-CE3 3.51Å; Y403-W419 HydrophobicContact CD1-CE3 3.51Å; Y403-W419 HydrophobicContact CD1-CG 4.27Å; Y403-W419 HydrophobicContact CD1-CH2 4.11Å; Y403-W419 HydrophobicContact CD1-CZ2 4.25Å; Y403-W419 AromaticContact CD1-CZ3 3.74Å; Y403-W419 HydrophobicContact CD1-CZ3 3.74Å; Y403-W419 HydrophobicContact CE1-CD2 4.31Å; Y403-W419 AromaticContact CE1-CE3 3.93Å; Y403-W419 HydrophobicContact CE1-CE3 3.93Å; Y403-W419 AromaticContact CE1-CH2 3.77Å; Y403-W419 HydrophobicContact CE1-CH2 3.77Å; Y403-W419 HydrophobicContact CE1-CZ2 4.18Å; Y403-W419 AromaticContact CE1-CZ3 3.63Å; Y403-W419 HydrophobicContact CE1-CZ3 3.63Å; Y403-W419 PolarHBondContact N-O 3.13Å; Y403-I421 HydrophobicContact CD2-CG2 4.48Å; Y403-W522 AromaticContact CD1-CZ3 3.91Å; Y403-W522 HydrophobicContact CD1-CZ3 3.91Å; Y403-W522 AromaticContact CD2-CH2 3.96Å; Y403-W522 HydrophobicContact CD2-CH2 3.96Å; Y403-W522 AromaticContact CD2-CZ3 3.93Å; Y403-W522 HydrophobicContact CD2-CZ3 3.93Å; Y403-W522 HydrophobicContact CE1-CH2 4.37Å; Y403-W522 AromaticContact CE1-CZ3 3.75Å; Y403-W522 HydrophobicContact CE1-CZ3 3.75Å; Y403-W522 AromaticContact CE2-CH2 3.62Å; Y403-W522 HydrophobicContact CE2-CH2 3.62Å; Y403-W522 AromaticContact CE2-CZ3 3.79Å; Y403-W522 HydrophobicContact CE2-CZ3 3.79Å; Y403-W522 HydrophobicContact CG-CH2 4.47Å; Y403-W522 AromaticContact CG-CZ3 3.98Å; Y403-W522 HydrophobicContact CG-CZ3 3.98Å; Y403-W522 AromaticContact CZ-CH2 3.82Å; Y403-W522 AromaticContact CZ-CZ3 3.67Å
404	Q	76.9	Confident	86.7	Confident	140 Å²	140	53.6 Å²	53.6	65%	0.654	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	18.4	173.9	-70.2	-172.3	1.9	0	0	117.3
405	G	78.6	Confident	85.8	Confident	33 Å²	33	57.7 Å²	57.7	34%	0.34	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	14.8	179	0	0	0	0	0	115.1	Y403 T407 K410	Y403-G405 PolarHBondContact O-N 2.96Å; G405-T407 VanDerWaalsContact C-N 3.28Å; G405-T407 PolarHBondContact O-N 2.8Å; G405-T407 VanDerWaalsContact O-N 3.1Å; G405-K410 PolarHBondContact O-NZ 2.87Å
406	H	82.6	Confident	85	Confident	31 Å²	31	54 Å²	54	14%	0.144	28%	0.281	C	S	.	.			trans	-79.1	71.4	170.3	-68	-68.4	0	0	0	110.4	Y403 D416 F417 F418 W419	Y403-H406 PolarHBondContact O-CD2 3.31Å; Y403-H406 PolarHBondContact O-N 3.26Å; Y403-H406 VanDerWaalsContact O-N 3.09Å; H406-D416 IonicContact CE1-OD1 2.89Å; H406-D416 IonicContact CE1-OD2 3.56Å; H406-D416 PolarHBondContact CE1-OD2 3.42Å; H406-D416 IonicContact CG-OD2 2.76Å; H406-D416 VanDerWaalsContact ND1-CG 3.29Å; H406-D416 IonicContact ND1-OD1 3.56Å; H406-D416 PolarHBondContact ND1-OD1 3.12Å; H406-D416 IonicContact ND1-OD2 2.88Å; H406-D416 PolarHBondContact ND1-OD2 3.18Å; H406-F417 WeakPolarHBondContact CB-O 3.46Å; H406-F417 AromaticContact CE1-CE1 3.82Å; H406-F417 AromaticContact CE1-CZ 3.67Å; H406-F417 AromaticContact ND1-CE1 3.93Å; H406-F417 AromaticContact ND1-CZ 3.82Å; H406-F418 WeakPolarHBondContact O-CA 3.48Å; H406-F418 WeakPolarHBondContact O-CD2 3.34Å; H406-W419 HydrophobicContact CB-CB 3.59Å; H406-W419 AromaticContact CD2-CE3 3.63Å; H406-W419 AromaticContact NE2-CE3 3.92Å; H406-W419 PolarHBondContact O-N 3.02Å
407	T	88.6	Confident	84.6	Confident	37 Å²	37	53.9 Å²	53.9	23%	0.227	28%	0.279	C	S	.	.			trans	-81.5	155.1	-170.2	53.5	0	0	0	0	113	V402 G405 E409 K410 T411	V402-T407 HydrophobicContact CG1-CG2 3.94Å; V402-T407 HydrophobicContact CG2-CG2 4.37Å; G405-T407 VanDerWaalsContact C-N 3.28Å; G405-T407 PolarHBondContact O-N 2.8Å; G405-T407 VanDerWaalsContact O-N 3.1Å; T407-E409 VanDerWaalsContact C-N 3.28Å; T407-E409 WeakPolarHBondContact CB-OE2 3.36Å; T407-E409 PolarHBondContact O-N 3.33Å; T407-K410 PolarHBondContact O-N 2.77Å; T407-K410 WeakPolarHBondContact OG1-CD 3.43Å; T407-K410 VanDerWaalsContact OG1-CG 3.27Å; T407-K410 WeakPolarHBondContact OG1-CG 3.24Å; T407-T411 PolarHBondContact O-N 2.99Å; T407-T411 PolarHBondContact O-OG1 3.49Å
408	L	91.7	Very high	84.5	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.1	-34.2	-177.1	-179.7	66.3	0	0	0	112.1	V396 T398 K410 T411 Y412 F418 I429 F431 L525 I528	V396-L408 HydrophobicContact CB-CD2 3.76Å; V396-L408 HydrophobicContact CB-CG 4.03Å; V396-L408 HydrophobicContact CG2-CB 4.38Å; V396-L408 HydrophobicContact CG2-CD2 4.06Å; V396-L408 HydrophobicContact CG2-CG 3.93Å; T398-L408 HydrophobicContact CG2-CB 4.28Å; T398-L408 HydrophobicContact CG2-CD2 4.27Å; L408-K410 VanDerWaalsContact C-N 3.33Å; L408-K410 PolarHBondContact O-N 3.31Å; L408-T411 WeakPolarHBondContact O-CB 3.36Å; L408-T411 PolarHBondContact O-N 3.01Å; L408-T411 VanDerWaalsContact O-N 3.16Å; L408-Y412 PolarHBondContact O-N 2.88Å; L408-F418 HydrophobicContact CB-CD2 3.8Å; L408-F418 HydrophobicContact CB-CE2 3.97Å; L408-F418 HydrophobicContact CB-CG 4.41Å; L408-F418 HydrophobicContact CD1-CB 4.42Å; L408-F418 HydrophobicContact CD1-CD2 4.46Å; L408-F418 HydrophobicContact CD1-CG 4.24Å; L408-F418 VanDerWaalsContact N-CD2 3.33Å; L408-I429 HydrophobicContact CD1-CG2 3.63Å; L408-I429 HydrophobicContact CD2-CG2 3.56Å; L408-I429 HydrophobicContact CG-CG2 4.24Å; L408-F431 HydrophobicContact CD1-CE1 4.02Å; L408-F431 HydrophobicContact CD1-CZ 4.21Å; L408-F431 HydrophobicContact CG-CE1 4.48Å; L408-L525 HydrophobicContact CD1-CD2 4.25Å; L408-I528 HydrophobicContact CD1-CD1 4.48Å
409	E	86	Confident	84.3	Confident	87 Å²	87	51.4 Å²	51.4	41%	0.407	26%	0.26	S	S	.	.	H	α-helix	trans	-58.1	-46.9	177.7	-63.9	70.5	-157.8	0	0	110.6	V396 T407 T411 Y412 M413	V396-E409 HydrophobicContact CG2-CB 4.18Å; V396-E409 HydrophobicContact CG2-CG 3.69Å; T407-E409 VanDerWaalsContact C-N 3.28Å; T407-E409 WeakPolarHBondContact CB-OE2 3.36Å; T407-E409 PolarHBondContact O-N 3.33Å; E409-T411 VanDerWaalsContact C-N 3.29Å; E409-T411 PolarHBondContact O-N 3.29Å; E409-Y412 PolarHBondContact O-N 3.16Å; E409-M413 WeakPolarHBondContact O-CB 3.39Å; E409-M413 VanDerWaalsContact O-CG 3.3Å; E409-M413 WeakPolarHBondContact O-CG 3.45Å; E409-M413 PolarHBondContact O-N 2.99Å
410	K	80	Confident	84.2	Confident	75 Å²	75	49.2 Å²	49.2	33%	0.326	24%	0.244	S	C	.	.	H	α-helix	trans	-61.2	-39	176.9	-69.9	178	-178.7	176.8	0	111.3	G405 T407 L408 M413 G414 E415 D416	G405-K410 PolarHBondContact O-NZ 2.87Å; T407-K410 PolarHBondContact O-N 2.77Å; T407-K410 WeakPolarHBondContact OG1-CD 3.43Å; T407-K410 VanDerWaalsContact OG1-CG 3.27Å; T407-K410 WeakPolarHBondContact OG1-CG 3.24Å; L408-K410 VanDerWaalsContact C-N 3.33Å; L408-K410 PolarHBondContact O-N 3.31Å; K410-M413 PolarHBondContact O-N 3.31Å; K410-G414 PolarHBondContact O-N 2.96Å; K410-G414 VanDerWaalsContact O-N 3.08Å; K410-E415 HydrophobicContact CB-CB 4.01Å; K410-E415 HydrophobicContact CG-CB 4.39Å; K410-E415 WeakPolarHBondContact O-CB 3.29Å; K410-E415 PolarHBondContact O-N 3.44Å; K410-D416 HydrophobicContact CB-CB 3.8Å; K410-D416 HydrophobicContact CD-CB 4.12Å; K410-D416 PolarHBondContact O-N 3.44Å
411	T	86.9	Confident	84	Confident	6 Å²	6	51.6 Å²	51.6	4%	0.037	26%	0.256	C	S	.	.	H	α-helix	trans	-68.1	-40.6	176.9	-46.4	0	0	0	0	113.3	L386 T407 L408 E409 M413 G414 D416 F417 F418 L525 I528	L386-T411 HydrophobicContact CD1-CG2 4.27Å; T407-T411 PolarHBondContact O-N 2.99Å; T407-T411 PolarHBondContact O-OG1 3.49Å; L408-T411 WeakPolarHBondContact O-CB 3.36Å; L408-T411 PolarHBondContact O-N 3.01Å; L408-T411 VanDerWaalsContact O-N 3.16Å; E409-T411 VanDerWaalsContact C-N 3.29Å; E409-T411 PolarHBondContact O-N 3.29Å; T411-M413 VanDerWaalsContact C-N 3.3Å; T411-M413 PolarHBondContact O-N 3.46Å; T411-G414 PolarHBondContact O-N 3.45Å; T411-D416 WeakPolarHBondContact CA-O 3.49Å; T411-D416 WeakPolarHBondContact CB-O 3.45Å; T411-D416 PolarHBondContact N-O 2.89Å; T411-D416 PolarHBondContact OG1-O 2.75Å; T411-F417 PolarHBondContact OG1-O 3.03Å; T411-F418 HydrophobicContact CG2-CB 4.36Å; T411-F418 WeakPolarHBondContact OG1-CA 3.26Å; T411-F418 WeakPolarHBondContact OG1-CB 3.39Å; T411-F418 PolarHBondContact OG1-N 3.27Å; T411-L525 WeakPolarHBondContact CG2-O 2.92Å; T411-I528 HydrophobicContact CG2-CD1 3.72Å; T411-I528 HydrophobicContact CG2-CG1 4.24Å
412	Y	84.3	Confident	84	Confident	15 Å²	15	46.9 Å²	46.9	6%	0.059	24%	0.241	C	C	.	.	H	α-helix	trans	-68.2	-33.6	177.1	-155.8	-104.5	0	0	0	112.4	N391 P392 A394 V396 L408 E409 G414 F431 I528 I530	N391-Y412 HydrophobicContact CB-CE1 4.08Å; N391-Y412 HydrophobicContact CB-CE2 4.1Å; P392-Y412 VanDerWaalsContact O-CE1 3.25Å; P392-Y412 WeakPolarHBondContact O-CE1 3.27Å; P392-Y412 PolarHBondContact O-OH 3.39Å; A394-Y412 HydrophobicContact CB-CE1 3.6Å; A394-Y412 WeakPolarHBondContact CB-OH 3.33Å; V396-Y412 HydrophobicContact CG1-CD1 3.83Å; V396-Y412 HydrophobicContact CG1-CD2 3.87Å; V396-Y412 HydrophobicContact CG1-CE1 4.34Å; V396-Y412 HydrophobicContact CG1-CE2 4.37Å; V396-Y412 HydrophobicContact CG1-CG 3.55Å; L408-Y412 PolarHBondContact O-N 2.88Å; E409-Y412 PolarHBondContact O-N 3.16Å; Y412-G414 VanDerWaalsContact C-N 3.31Å; Y412-F431 AromaticContact CD2-CD1 3.41Å; Y412-F431 HydrophobicContact CD2-CD1 3.41Å; Y412-F431 VanDerWaalsContact CD2-CD1 3.41Å; Y412-F431 AromaticContact CD2-CE1 3.54Å; Y412-F431 HydrophobicContact CD2-CE1 3.54Å; Y412-F431 HydrophobicContact CE2-CB 4.41Å; Y412-F431 AromaticContact CE2-CD1 3.34Å; Y412-F431 HydrophobicContact CE2-CD1 3.34Å; Y412-F431 AromaticContact CE2-CE1 3.86Å; Y412-F431 HydrophobicContact CE2-CE1 3.86Å; Y412-F431 HydrophobicContact CE2-CG 4.11Å; Y412-F431 HydrophobicContact CG-CD1 4.38Å; Y412-I528 HydrophobicContact CD2-CD1 4.07Å; Y412-I528 HydrophobicContact CD2-CG2 4.04Å; Y412-I528 HydrophobicContact CE2-CG2 3.94Å; Y412-I530 HydrophobicContact CE2-CD1 4.47Å
413	M	74.4	Confident	84.1	Confident	125 Å²	125	44.1 Å²	44.1	62%	0.616	22%	0.224	S	C	*	.	H	α-helix	trans	-79.5	-8.3	175.8	-66.1	-59.2	-179.4	0	0	114.1	E409 K410 T411 E415	E409-M413 WeakPolarHBondContact O-CB 3.39Å; E409-M413 VanDerWaalsContact O-CG 3.3Å; E409-M413 WeakPolarHBondContact O-CG 3.45Å; E409-M413 PolarHBondContact O-N 2.99Å; K410-M413 PolarHBondContact O-N 3.31Å; T411-M413 VanDerWaalsContact C-N 3.3Å; T411-M413 PolarHBondContact O-N 3.46Å; M413-E415 HydrophobicContact CB-CG 3.97Å
414	G	68.9	Low	84.7	Confident	12 Å²	12	45.4 Å²	45.4	12%	0.124	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	21.7	-178.1	0	0	0	0	0	114.3	L386 I388 K410 T411 Y412	L386-G414 VanDerWaalsContact CD2-O 3.27Å; L386-G414 WeakPolarHBondContact CD2-O 3.2Å; I388-G414 WeakPolarHBondContact CD1-O 3.25Å; K410-G414 PolarHBondContact O-N 2.96Å; K410-G414 VanDerWaalsContact O-N 3.08Å; T411-G414 PolarHBondContact O-N 3.45Å; Y412-G414 VanDerWaalsContact C-N 3.31Å
415	E	64.9	Low	85.6	Confident	101 Å²	101	41.1 Å²	41.1	47%	0.472	22%	0.223	S	C	.	.	S	Bend	trans	-91.5	-36.9	-178	-62.8	173.8	-168	0	0	112.9	K410 M413	K410-E415 HydrophobicContact CB-CB 4.01Å; K410-E415 HydrophobicContact CG-CB 4.39Å; K410-E415 WeakPolarHBondContact O-CB 3.29Å; K410-E415 PolarHBondContact O-N 3.44Å; M413-E415 HydrophobicContact CB-CG 3.97Å
416	D	73.4	Confident	86.4	Confident	39 Å²	39	42.4 Å²	42.4	21%	0.209	24%	0.236	C	C	.	.	S	Bend	trans	-159	166.6	-174.7	-161.5	2.1	0	0	0	111.6	L386 H406 K410 T411	L386-D416 WeakPolarHBondContact CD1-O 3.19Å; H406-D416 IonicContact CE1-OD1 2.89Å; H406-D416 IonicContact CE1-OD2 3.56Å; H406-D416 PolarHBondContact CE1-OD2 3.42Å; H406-D416 IonicContact CG-OD2 2.76Å; H406-D416 VanDerWaalsContact ND1-CG 3.29Å; H406-D416 IonicContact ND1-OD1 3.56Å; H406-D416 PolarHBondContact ND1-OD1 3.12Å; H406-D416 IonicContact ND1-OD2 2.88Å; H406-D416 PolarHBondContact ND1-OD2 3.18Å; K410-D416 HydrophobicContact CB-CB 3.8Å; K410-D416 HydrophobicContact CD-CB 4.12Å; K410-D416 PolarHBondContact O-N 3.44Å; T411-D416 WeakPolarHBondContact CA-O 3.49Å; T411-D416 WeakPolarHBondContact CB-O 3.45Å; T411-D416 PolarHBondContact N-O 2.89Å; T411-D416 PolarHBondContact OG1-O 2.75Å
417	F	86.3	Confident	87.1	Confident	17 Å²	17	42 Å²	42	8%	0.075	24%	0.235	C	C	.	.			trans	-81.8	161	170.2	64.2	-84.8	0	0	0	111.2	L386 H406 T411 W419 I524	L386-F417 HydrophobicContact CD1-CB 4.32Å; H406-F417 WeakPolarHBondContact CB-O 3.46Å; H406-F417 AromaticContact CE1-CE1 3.82Å; H406-F417 AromaticContact CE1-CZ 3.67Å; H406-F417 AromaticContact ND1-CE1 3.93Å; H406-F417 AromaticContact ND1-CZ 3.82Å; T411-F417 PolarHBondContact OG1-O 3.03Å; F417-W419 HydrophobicContact CD2-CB 4.06Å; F417-W419 HydrophobicContact CE2-CB 3.71Å; F417-W419 AromaticContact CE2-CD2 3.97Å; F417-W419 HydrophobicContact CE2-CD2 3.97Å; F417-W419 AromaticContact CE2-CE3 3.82Å; F417-W419 HydrophobicContact CE2-CE3 3.82Å; F417-W419 AromaticContact CE2-CG 3.96Å; F417-W419 HydrophobicContact CE2-CG 3.96Å; F417-W419 HydrophobicContact CZ-CE3 4.03Å; F417-I524 HydrophobicContact CB-CG2 4.39Å; F417-I524 HydrophobicContact CD2-CD1 4.33Å; F417-I524 HydrophobicContact CD2-CG1 4.18Å; F417-I524 HydrophobicContact CD2-CG2 3.72Å; F417-I524 HydrophobicContact CE2-CD1 3.98Å; F417-I524 HydrophobicContact CE2-CG1 4.15Å; F417-I524 HydrophobicContact CE2-CG2 4.42Å; F417-I524 HydrophobicContact CG-CG2 4.36Å
418	F	93	Very high	87.5	Confident	1 Å²	1	44.5 Å²	44.5	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.8	177	171.8	-113.7	0	0	0	107	T398 L400 V402 H406 L408 T411 A420 I429 I524 L525	T398-F418 HydrophobicContact CG2-CE2 3.92Å; T398-F418 HydrophobicContact CG2-CZ 3.86Å; L400-F418 HydrophobicContact CB-CE1 4.47Å; L400-F418 HydrophobicContact CB-CZ 4.06Å; V402-F418 HydrophobicContact CG2-CE2 3.99Å; H406-F418 WeakPolarHBondContact O-CA 3.48Å; H406-F418 WeakPolarHBondContact O-CD2 3.34Å; L408-F418 HydrophobicContact CB-CD2 3.8Å; L408-F418 HydrophobicContact CB-CE2 3.97Å; L408-F418 HydrophobicContact CB-CG 4.41Å; L408-F418 HydrophobicContact CD1-CB 4.42Å; L408-F418 HydrophobicContact CD1-CD2 4.46Å; L408-F418 HydrophobicContact CD1-CG 4.24Å; L408-F418 VanDerWaalsContact N-CD2 3.33Å; T411-F418 HydrophobicContact CG2-CB 4.36Å; T411-F418 WeakPolarHBondContact OG1-CA 3.26Å; T411-F418 WeakPolarHBondContact OG1-CB 3.39Å; T411-F418 PolarHBondContact OG1-N 3.27Å; F418-A420 HydrophobicContact CE1-CB 3.81Å; F418-A420 HydrophobicContact CZ-CB 3.74Å; F418-I429 HydrophobicContact CD1-CD1 4.08Å; F418-I429 HydrophobicContact CE1-CD1 3.77Å; F418-I429 HydrophobicContact CE1-CG1 4.38Å; F418-I524 CarbonylContact O-C 3.52Å; F418-I524 WeakPolarHBondContact O-CA 3.13Å; F418-L525 HydrophobicContact CB-CB 4.09Å; F418-L525 HydrophobicContact CD1-CB 4.08Å; F418-L525 PolarHBondContact N-O 3.13Å; F418-L525 PolarHBondContact O-N 3.03Å
419	W	93.6	Very high	87.8	Confident	21 Å²	21	44.7 Å²	44.7	8%	0.08	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	120.3	176.9	-158.9	2.5	0	0	0	109.4	Y403 H406 F417 H451 D454 W522 I524	Y403-W419 AromaticContact CD1-CD2 3.65Å; Y403-W419 HydrophobicContact CD1-CD2 3.65Å; Y403-W419 AromaticContact CD1-CE3 3.51Å; Y403-W419 HydrophobicContact CD1-CE3 3.51Å; Y403-W419 HydrophobicContact CD1-CG 4.27Å; Y403-W419 HydrophobicContact CD1-CH2 4.11Å; Y403-W419 HydrophobicContact CD1-CZ2 4.25Å; Y403-W419 AromaticContact CD1-CZ3 3.74Å; Y403-W419 HydrophobicContact CD1-CZ3 3.74Å; Y403-W419 HydrophobicContact CE1-CD2 4.31Å; Y403-W419 AromaticContact CE1-CE3 3.93Å; Y403-W419 HydrophobicContact CE1-CE3 3.93Å; Y403-W419 AromaticContact CE1-CH2 3.77Å; Y403-W419 HydrophobicContact CE1-CH2 3.77Å; Y403-W419 HydrophobicContact CE1-CZ2 4.18Å; Y403-W419 AromaticContact CE1-CZ3 3.63Å; Y403-W419 HydrophobicContact CE1-CZ3 3.63Å; Y403-W419 PolarHBondContact N-O 3.13Å; H406-W419 HydrophobicContact CB-CB 3.59Å; H406-W419 AromaticContact CD2-CE3 3.63Å; H406-W419 AromaticContact NE2-CE3 3.92Å; H406-W419 PolarHBondContact O-N 3.02Å; F417-W419 HydrophobicContact CD2-CB 4.06Å; F417-W419 HydrophobicContact CE2-CB 3.71Å; F417-W419 AromaticContact CE2-CD2 3.97Å; F417-W419 HydrophobicContact CE2-CD2 3.97Å; F417-W419 AromaticContact CE2-CE3 3.82Å; F417-W419 HydrophobicContact CE2-CE3 3.82Å; F417-W419 AromaticContact CE2-CG 3.96Å; F417-W419 HydrophobicContact CE2-CG 3.96Å; F417-W419 HydrophobicContact CZ-CE3 4.03Å; W419-H451 AromaticContact CH2-CD2 3.89Å; W419-H451 AromaticContact CH2-CE1 3.93Å; W419-H451 AromaticContact CH2-NE2 3.56Å; W419-D454 PolarHBondContact NE1-OD2 3.36Å; W419-W522 AromaticContact CE2-CE3 3.8Å; W419-W522 AromaticContact CZ2-CE3 3.84Å; W419-W522 HydrophobicContact CZ2-CE3 3.84Å; W419-W522 AromaticContact CZ2-CZ3 3.97Å; W419-W522 HydrophobicContact CZ2-CZ3 3.97Å; W419-W522 AromaticContact NE1-CE3 3.59Å; W419-I524 HydrophobicContact CB-CG1 4.3Å; W419-I524 HydrophobicContact CD2-CD1 4.31Å; W419-I524 HydrophobicContact CD2-CG1 4.31Å; W419-I524 HydrophobicContact CG-CD1 4.25Å; W419-I524 HydrophobicContact CG-CG1 3.74Å
420	A	94.5	Very high	88.3	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	152.4	177.6	0	0	0	0	0	111.2	L400 K401 F418 W522 A523	L400-A420 HydrophobicContact CB-CB 3.68Å; L400-A420 HydrophobicContact CD2-CB 3.81Å; L400-A420 HydrophobicContact CG-CB 4.42Å; K401-A420 WeakPolarHBondContact O-CA 3.33Å; F418-A420 HydrophobicContact CE1-CB 3.81Å; F418-A420 HydrophobicContact CZ-CB 3.74Å; A420-W522 WeakPolarHBondContact O-CB 3.41Å; A420-A523 PolarHBondContact N-O 2.89Å; A420-A523 PolarHBondContact O-N 2.84Å
421	I	91.2	Very high	89.1	Confident	58 Å²	58	38.4 Å²	38.4	30%	0.297	21%	0.214	S	C	.	.	S	Bend	trans	-64.3	173	168.6	73.1	176.7	0	0	0	110.4	K401 Y403 P423	K401-I421 HydrophobicContact CB-CD1 3.68Å; K401-I421 HydrophobicContact CB-CG1 3.87Å; K401-I421 HydrophobicContact CD-CD1 3.77Å; K401-I421 HydrophobicContact CG-CD1 4.11Å; K401-I421 PolarHBondContact O-N 2.86Å; Y403-I421 HydrophobicContact CD2-CG2 4.48Å; I421-P423 VanDerWaalsContact O-CD 3.27Å; I421-P423 WeakPolarHBondContact O-CD 3.21Å; I421-P423 VanDerWaalsContact O-N 3.13Å
422	T	92.4	Very high	89.5	Confident	57 Å²	57	43.3 Å²	43.3	35%	0.35	24%	0.235	S	C	.	.			trans	-43.2	112.8	-176.4	-47.2	0	0	0	0	114.1	S519 W522	T422-S519 WeakPolarHBondContact CG2-O 3.22Å; T422-W522 VanDerWaalsContact OG1-CD1 3.23Å
423	P	95.1	Very high	89.8	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.019	24%	0.235	C	C	.	.			trans	-63.4	143.1	174.7	-18.2	26.1	0	0	0	113	L400 I421 L456 V515 S519 V521 A523	L400-P423 HydrophobicContact CD2-CB 3.84Å; L400-P423 HydrophobicContact CD2-CG 3.64Å; I421-P423 VanDerWaalsContact O-CD 3.27Å; I421-P423 WeakPolarHBondContact O-CD 3.21Å; I421-P423 VanDerWaalsContact O-N 3.13Å; P423-L456 HydrophobicContact CG-CD2 4.3Å; P423-V515 HydrophobicContact CB-CG1 4.05Å; P423-V515 HydrophobicContact CB-CG2 4.09Å; P423-S519 PolarHBondContact O-N 2.83Å; P423-V521 WeakPolarHBondContact CD-O 3.34Å; P423-A523 HydrophobicContact CG-CB 3.53Å
424	I	95.6	Very high	90	Very high	96 Å²	96	42.7 Å²	42.7	49%	0.492	24%	0.235	S	C	.	.			trans	-112.8	159	172.4	60.3	166.9	0	0	0	111.5	G426 D427 V515	I424-G426 PolarHBondContact O-N 3.44Å; I424-D427 VanDerWaalsContact CG1-OD2 3.28Å; I424-D427 WeakPolarHBondContact CG1-OD2 3.28Å; I424-D427 PolarHBondContact N-OD2 3.2Å; I424-D427 VanDerWaalsContact O-CB 3.3Å; I424-D427 WeakPolarHBondContact O-CB 3.16Å; I424-D427 PolarHBondContact O-N 3.15Å; I424-V515 WeakPolarHBondContact O-CG1 3.4Å
425	A	96.3	Very high	90.6	Very high	50 Å²	50	46 Å²	46	41%	0.413	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	130	177.3	0	0	0	0	0	111	N518	A425-N518 WeakPolarHBondContact CB-OD1 3.34Å; A425-N518 PolarHBondContact N-OD1 3.32Å
426	G	93.5	Very high	91.7	Very high	59 Å²	59	44 Å²	44	61%	0.608	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.7	-8.2	-174.8	0	0	0	0	0	114.6	I424 V515	I424-G426 PolarHBondContact O-N 3.44Å; G426-V515 PolarHBondContact N-O 2.73Å
427	D	97.4	Very high	92.3	Very high	22 Å²	22	42.9 Å²	42.9	12%	0.118	24%	0.236	C	C	.	.			trans	-64.4	149.3	171.8	-84.2	-31.3	0	0	0	111.8	S399 L400 I424 V515	S399-D427 WeakPolarHBondContact CB-OD1 3.47Å; S399-D427 WeakPolarHBondContact OG-CA 3.36Å; S399-D427 WeakPolarHBondContact OG-CB 3.33Å; S399-D427 PolarHBondContact OG-OD1 3.18Å; L400-D427 HydrophobicContact CD1-CB 4.03Å; L400-D427 HydrophobicContact CG-CB 4.03Å; I424-D427 VanDerWaalsContact CG1-OD2 3.28Å; I424-D427 WeakPolarHBondContact CG1-OD2 3.28Å; I424-D427 PolarHBondContact N-OD2 3.2Å; I424-D427 VanDerWaalsContact O-CB 3.3Å; I424-D427 WeakPolarHBondContact O-CB 3.16Å; I424-D427 PolarHBondContact O-N 3.15Å; D427-V515 HydrophobicContact CB-CB 4.13Å; D427-V515 HydrophobicContact CB-CG2 3.97Å; D427-V515 WeakPolarHBondContact O-CB 3.45Å; D427-V515 WeakPolarHBondContact O-CG2 3.47Å; D427-V515 PolarHBondContact O-N 3.12Å
428	Y	97.2	Very high	92.5	Very high	91 Å²	91	45.9 Å²	45.9	36%	0.357	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	154.3	-178.6	72.6	-92.6	0	0	0	113.8	T398 S399 L400 L430 L513	T398-Y428 VanDerWaalsContact CA-O 3.25Å; T398-Y428 WeakPolarHBondContact CA-O 3.12Å; T398-Y428 PolarHBondContact OG1-O 2.83Å; T398-Y428 VanDerWaalsContact OG1-O 3.06Å; S399-Y428 PolarHBondContact N-O 3.32Å; S399-Y428 PolarHBondContact OG-N 2.98Å; L400-Y428 WeakPolarHBondContact CD1-O 3.43Å; Y428-L430 HydrophobicContact CD2-CB 3.81Å; Y428-L430 HydrophobicContact CE2-CB 3.88Å; Y428-L513 CarbonylContact C-O 3.56Å; Y428-L513 VanDerWaalsContact CA-O 3.23Å; Y428-L513 WeakPolarHBondContact CA-O 3.22Å
429	I	98	Very high	92.5	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.015	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	121.8	164.5	-59.8	177.3	0	0	0	106.8	L400 L408 F418 F431 L456 R512 L513 L525	L400-I429 HydrophobicContact CD1-CD1 4.28Å; L400-I429 HydrophobicContact CD1-CG1 3.67Å; L408-I429 HydrophobicContact CD1-CG2 3.63Å; L408-I429 HydrophobicContact CD2-CG2 3.56Å; L408-I429 HydrophobicContact CG-CG2 4.24Å; F418-I429 HydrophobicContact CD1-CD1 4.08Å; F418-I429 HydrophobicContact CE1-CD1 3.77Å; F418-I429 HydrophobicContact CE1-CG1 4.38Å; I429-F431 HydrophobicContact CG2-CE1 4.16Å; I429-F431 HydrophobicContact CG2-CE2 3.73Å; I429-F431 HydrophobicContact CG2-CZ 3.47Å; I429-F431 VanDerWaalsContact CG2-CZ 3.47Å; I429-L456 HydrophobicContact CD1-CD1 4.27Å; I429-R512 CarbonylContact O-C 3.52Å; I429-R512 WeakPolarHBondContact O-CA 3.49Å; I429-L513 HydrophobicContact CB-CB 4.09Å; I429-L513 HydrophobicContact CB-CD1 4.26Å; I429-L513 HydrophobicContact CB-CG 4.28Å; I429-L513 HydrophobicContact CD1-CD1 4.27Å; I429-L513 HydrophobicContact CG2-CD1 4.38Å; I429-L513 PolarHBondContact N-O 2.84Å; I429-L513 PolarHBondContact O-N 2.83Å; I429-L525 HydrophobicContact CD1-CD2 4.21Å
430	L	97.6	Very high	92.4	Very high	30 Å²	30	47.5 Å²	47.5	16%	0.157	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.7	-173.6	-179.8	69.1	0	0	0	110.6	V396 S397 Y428 Y486 A510 R512	V396-L430 CarbonylContact C-O 3.57Å; V396-L430 VanDerWaalsContact CA-O 3.27Å; V396-L430 WeakPolarHBondContact CA-O 3.49Å; S397-L430 PolarHBondContact N-O 2.91Å; S397-L430 PolarHBondContact O-N 2.87Å; Y428-L430 HydrophobicContact CD2-CB 3.81Å; Y428-L430 HydrophobicContact CE2-CB 3.88Å; L430-Y486 WeakPolarHBondContact CD1-OH 3.43Å; L430-A510 HydrophobicContact CD1-CB 4.12Å; L430-R512 HydrophobicContact CD1-CB 4.11Å; L430-R512 HydrophobicContact CD1-CG 4.5Å
431	F	97.1	Very high	92.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	98.7	171.8	-49.2	-81.8	0	0	0	108.1	V396 L408 Y412 I429 F444 A510 F511 L513 L525 I528	V396-F431 HydrophobicContact CB-CD1 4.36Å; V396-F431 HydrophobicContact CG1-CD1 3.61Å; V396-F431 HydrophobicContact CG1-CE1 4.2Å; L408-F431 HydrophobicContact CD1-CE1 4.02Å; L408-F431 HydrophobicContact CD1-CZ 4.21Å; L408-F431 HydrophobicContact CG-CE1 4.48Å; Y412-F431 AromaticContact CD2-CD1 3.41Å; Y412-F431 HydrophobicContact CD2-CD1 3.41Å; Y412-F431 VanDerWaalsContact CD2-CD1 3.41Å; Y412-F431 AromaticContact CD2-CE1 3.54Å; Y412-F431 HydrophobicContact CD2-CE1 3.54Å; Y412-F431 HydrophobicContact CE2-CB 4.41Å; Y412-F431 AromaticContact CE2-CD1 3.34Å; Y412-F431 HydrophobicContact CE2-CD1 3.34Å; Y412-F431 AromaticContact CE2-CE1 3.86Å; Y412-F431 HydrophobicContact CE2-CE1 3.86Å; Y412-F431 HydrophobicContact CE2-CG 4.11Å; Y412-F431 HydrophobicContact CG-CD1 4.38Å; I429-F431 HydrophobicContact CG2-CE1 4.16Å; I429-F431 HydrophobicContact CG2-CE2 3.73Å; I429-F431 HydrophobicContact CG2-CZ 3.47Å; I429-F431 VanDerWaalsContact CG2-CZ 3.47Å; F431-F444 HydrophobicContact CD2-CE1 4.22Å; F431-F444 HydrophobicContact CD2-CZ 4.42Å; F431-F444 HydrophobicContact CE2-CD1 4.41Å; F431-F444 AromaticContact CE2-CE1 3.59Å; F431-F444 HydrophobicContact CE2-CE1 3.59Å; F431-F444 HydrophobicContact CE2-CZ 4.14Å; F431-F444 HydrophobicContact CZ-CE1 4.05Å; F431-A510 CarbonylContact O-C 3.55Å; F431-A510 WeakPolarHBondContact O-CA 3.33Å; F431-A510 WeakPolarHBondContact O-CB 3.31Å; F431-F511 HydrophobicContact CB-CB 4.18Å; F431-F511 HydrophobicContact CD2-CB 3.92Å; F431-F511 PolarHBondContact N-O 2.91Å; F431-F511 PolarHBondContact O-N 3.33Å; F431-L513 HydrophobicContact CE2-CD1 4.15Å; F431-L513 HydrophobicContact CE2-CG 4.09Å; F431-L525 HydrophobicContact CZ-CD2 4.14Å; F431-I528 HydrophobicContact CE1-CD1 3.72Å; F431-I528 HydrophobicContact CE1-CG2 4.5Å; F431-I528 HydrophobicContact CZ-CD1 3.84Å; F431-I528 HydrophobicContact CZ-CG1 4.47Å
432	K	94.9	Very high	92.6	Very high	110 Å²	110	46.5 Å²	46.5	48%	0.478	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	111.5	-177.9	-178.2	-174.3	171.9	-162.3	0	109.3	A394 E395 A510	A394-K432 CarbonylContact C-O 3.58Å; A394-K432 WeakPolarHBondContact CA-O 3.12Å; A394-K432 WeakPolarHBondContact CB-O 3.47Å; E395-K432 PolarHBondContact N-O 3.36Å; E395-K432 PolarHBondContact O-N 2.82Å; E395-K432 IonicContact OE2-NZ 3.69Å; K432-A510 HydrophobicContact CB-CB 4.48Å
433	F	89.5	Confident	92.8	Very high	13 Å²	13	45.4 Å²	45.4	6%	0.057	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	140.3	-176.1	-58.3	-58.2	0	0	0	111.8	P392 A394 K435 V437 V439 I508 S509 F511 I530	P392-F433 HydrophobicContact CB-CD1 3.83Å; P392-F433 HydrophobicContact CB-CE1 3.79Å; P392-F433 HydrophobicContact CG-CD1 4.43Å; P392-F433 HydrophobicContact CG-CE1 3.91Å; P392-F433 HydrophobicContact CG-CZ 4.5Å; A394-F433 HydrophobicContact CB-CD1 3.85Å; A394-F433 HydrophobicContact CB-CE1 4.35Å; F433-K435 VanDerWaalsContact CB-O 3.25Å; F433-K435 WeakPolarHBondContact CB-O 3.36Å; F433-K435 PolarHBondContact O-N 3.26Å; F433-V437 HydrophobicContact CB-CG2 3.88Å; F433-V437 HydrophobicContact CD1-CG2 3.97Å; F433-V437 HydrophobicContact CD2-CB 4.19Å; F433-V437 HydrophobicContact CD2-CG2 3.84Å; F433-V437 HydrophobicContact CE2-CB 4.38Å; F433-V437 HydrophobicContact CE2-CG2 4.37Å; F433-V437 HydrophobicContact CG-CB 4.46Å; F433-V437 HydrophobicContact CG-CG2 3.63Å; F433-V439 HydrophobicContact CE2-CG2 4.49Å; F433-I508 HydrophobicContact CD2-CG2 4.47Å; F433-I508 WeakPolarHBondContact CD2-O 3.29Å; F433-I508 HydrophobicContact CE2-CB 4.32Å; F433-I508 HydrophobicContact CE2-CG2 3.98Å; F433-S509 WeakPolarHBondContact CD2-O 3.17Å; F433-S509 PolarHBondContact N-O 2.63Å; F433-F511 AromaticContact CE2-CD2 3.79Å; F433-F511 HydrophobicContact CE2-CD2 3.79Å; F433-F511 HydrophobicContact CE2-CE2 4.24Å; F433-F511 AromaticContact CZ-CD2 3.74Å; F433-F511 HydrophobicContact CZ-CD2 3.74Å; F433-F511 HydrophobicContact CZ-CE2 4.24Å; F433-I530 HydrophobicContact CE1-CD1 4.14Å; F433-I530 HydrophobicContact CZ-CD1 3.91Å; F433-I530 HydrophobicContact CZ-CG2 3.97Å
434	D	79.1	Confident	92.8	Very high	113 Å²	113	45.2 Å²	45.2	60%	0.604	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.3	-30.2	175.8	-62	-11.7	0	0	0	111.8	P393	P393-D434 VanDerWaalsContact CB-OD2 3.31Å; P393-D434 WeakPolarHBondContact CB-OD2 3.21Å; P393-D434 PolarHBondContact O-N 3.5Å
435	K	81.8	Confident	92.7	Very high	82 Å²	82	43.7 Å²	43.7	36%	0.357	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146.3	176.2	-63.1	-171.9	174.8	-166.2	0	109.5	F433 V437	F433-K435 VanDerWaalsContact CB-O 3.25Å; F433-K435 WeakPolarHBondContact CB-O 3.36Å; F433-K435 PolarHBondContact O-N 3.26Å; K435-V437 WeakPolarHBondContact O-CG2 3.5Å; K435-V437 PolarHBondContact O-N 2.97Å
436	P	88.8	Confident	92.6	Very high	58 Å²	58	41.5 Å²	41.5	38%	0.377	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	133.2	176	-26.5	35	0	0	0	112.5	F466 P507 I508	P436-F466 HydrophobicContact CB-CB 3.89Å; P436-F466 HydrophobicContact CB-CD1 4.48Å; P436-F466 HydrophobicContact CB-CD2 4.22Å; P436-F466 HydrophobicContact CB-CG 3.95Å; P436-F466 HydrophobicContact CG-CB 3.91Å; P436-F466 HydrophobicContact CG-CD1 4.08Å; P436-F466 HydrophobicContact CG-CD2 3.29Å; P436-F466 HydrophobicContact CG-CE1 4.47Å; P436-F466 HydrophobicContact CG-CE2 3.74Å; P436-F466 HydrophobicContact CG-CG 3.48Å; P436-F466 VanDerWaalsContact CG-CG 3.48Å; P436-F466 HydrophobicContact CG-CZ 4.32Å; P436-P507 HydrophobicContact CB-CB 3.77Å; P436-P507 HydrophobicContact CB-CG 4.03Å; P436-I508 CarbonylContact C-O 3.6Å; P436-I508 VanDerWaalsContact CA-O 3.3Å; P436-I508 WeakPolarHBondContact CA-O 3.03Å
437	V	86.4	Confident	92.3	Very high	17 Å²	17	38.9 Å²	38.9	10%	0.103	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132.3	-172.6	-172.7	0	0	0	0	109.9	P392 F433 K435 V439 N506 I508 K532	P392-V437 HydrophobicContact CB-CG1 4.28Å; P392-V437 HydrophobicContact CB-CG2 3.93Å; P392-V437 HydrophobicContact CG-CG1 4.04Å; P392-V437 HydrophobicContact CG-CG2 4.47Å; F433-V437 HydrophobicContact CB-CG2 3.88Å; F433-V437 HydrophobicContact CD1-CG2 3.97Å; F433-V437 HydrophobicContact CD2-CB 4.19Å; F433-V437 HydrophobicContact CD2-CG2 3.84Å; F433-V437 HydrophobicContact CE2-CB 4.38Å; F433-V437 HydrophobicContact CE2-CG2 4.37Å; F433-V437 HydrophobicContact CG-CB 4.46Å; F433-V437 HydrophobicContact CG-CG2 3.63Å; K435-V437 WeakPolarHBondContact O-CG2 3.5Å; K435-V437 PolarHBondContact O-N 2.97Å; V437-V439 HydrophobicContact CB-CG2 4.1Å; V437-V439 HydrophobicContact CG1-CG2 3.9Å; V437-V439 PolarHBondContact O-N 3.1Å; V437-N506 PolarHBondContact O-OD1 2.94Å; V437-I508 PolarHBondContact N-O 2.98Å; V437-I508 PolarHBondContact O-N 3.45Å; V437-K532 HydrophobicContact CG1-CD 4.15Å; V437-K532 HydrophobicContact CG1-CG 3.73Å
438	N	90	Very high	91.5	Very high	79 Å²	79	38.3 Å²	38.3	42%	0.422	19%	0.191	S	C	.	.			trans	-77	111.7	164.3	-70	-23.5	0	0	0	108.4	N506 P507 K532 A533	N438-N506 VanDerWaalsContact CA-OD1 3.29Å; N438-N506 WeakPolarHBondContact CA-OD1 3.48Å; N438-P507 WeakPolarHBondContact OD1-CA 3.44Å; N438-P507 WeakPolarHBondContact OD1-CB 3.35Å; N438-K532 CarbonylContact O-C 3.52Å; N438-K532 WeakPolarHBondContact O-CA 3.42Å; N438-A533 HydrophobicContact CB-CB 4.14Å; N438-A533 PolarHBondContact O-N 3.14Å
439	V	92.2	Very high	90.4	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.9	-177.7	-177.9	0	0	0	0	109	F433 V437 S441 V501 N506 I508 F511 I530 K531	F433-V439 HydrophobicContact CE2-CG2 4.49Å; V437-V439 HydrophobicContact CB-CG2 4.1Å; V437-V439 HydrophobicContact CG1-CG2 3.9Å; V437-V439 PolarHBondContact O-N 3.1Å; V439-S441 WeakPolarHBondContact CG1-O 3.46Å; V439-V501 HydrophobicContact CB-CB 4.47Å; V439-V501 HydrophobicContact CB-CG2 4.09Å; V439-V501 HydrophobicContact CG1-CB 4.43Å; V439-V501 HydrophobicContact CG1-CG2 3.64Å; V439-N506 PolarHBondContact N-OD1 3.17Å; V439-N506 PolarHBondContact O-ND2 3.48Å; V439-I508 HydrophobicContact CB-CG1 4.47Å; V439-I508 HydrophobicContact CG2-CB 4.39Å; V439-I508 HydrophobicContact CG2-CG1 4.33Å; V439-F511 HydrophobicContact CB-CE2 4.48Å; V439-F511 HydrophobicContact CG1-CE2 4.19Å; V439-F511 HydrophobicContact CG1-CZ 4.11Å; V439-F511 HydrophobicContact CG2-CE2 4.14Å; V439-I530 HydrophobicContact CB-CG2 4.47Å; V439-I530 HydrophobicContact CG1-CG2 3.68Å; V439-I530 HydrophobicContact CG2-CG2 3.86Å; V439-K531 WeakPolarHBondContact CA-O 3.41Å; V439-K531 WeakPolarHBondContact CG1-O 3.4Å
440	E	92.1	Very high	89.3	Confident	55 Å²	55	45.2 Å²	45.2	26%	0.257	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-51.9	175.9	179.9	-172.5	162.2	0	0	110.2	M500 V501 K531 A533	E440-M500 HydrophobicContact CG-CE 3.75Å; E440-M500 WeakPolarHBondContact O-CA 3.34Å; E440-V501 PolarHBondContact O-N 2.99Å; E440-K531 PolarHBondContact N-O 2.67Å; E440-K531 IonicContact OE1-NZ 2.81Å; E440-K531 PolarHBondContact OE1-NZ 3.34Å; E440-K531 WeakPolarHBondContact OE2-CD 3.43Å; E440-K531 WeakPolarHBondContact OE2-CE 3.44Å; E440-K531 IonicContact OE2-NZ 2.98Å; E440-K531 PolarHBondContact OE2-NZ 2.87Å; E440-A533 HydrophobicContact CB-CB 4.15Å
441	S	94.5	Very high	88.5	Confident	28 Å²	28	47 Å²	47	20%	0.196	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	162.7	-176.4	63.5	0	0	0	0	111.8	V439 G499 K531	V439-S441 WeakPolarHBondContact CG1-O 3.46Å; S441-G499 CarbonylContact C-O 3.58Å; S441-G499 VanDerWaalsContact CA-O 3.25Å; S441-G499 WeakPolarHBondContact CA-O 3.47Å; S441-G499 WeakPolarHBondContact CB-O 3.23Å; S441-K531 PolarHBondContact O-N 3.09Å
442	Y	96	Very high	87.7	Confident	10 Å²	10	51.7 Å²	51.7	4%	0.039	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	152.5	172.9	67.3	-89.3	0	0	0	110.6	F444 V461 I489 G490 A497 E498 G499 V501 F511 H529	Y442-F444 AromaticContact CD2-CD2 3.63Å; Y442-F444 HydrophobicContact CD2-CD2 3.63Å; Y442-F444 AromaticContact CD2-CE2 3.61Å; Y442-F444 HydrophobicContact CD2-CE2 3.61Å; Y442-F444 HydrophobicContact CE2-CD2 4.34Å; Y442-F444 HydrophobicContact CE2-CE2 4.5Å; Y442-F444 HydrophobicContact CG-CD2 4.48Å; Y442-F444 HydrophobicContact CG-CE2 4.06Å; Y442-V461 HydrophobicContact CD2-CG1 4.1Å; Y442-V461 HydrophobicContact CE2-CB 4.15Å; Y442-V461 HydrophobicContact CE2-CG1 3.87Å; Y442-V461 HydrophobicContact CE2-CG2 3.9Å; Y442-I489 HydrophobicContact CD1-CD1 3.78Å; Y442-I489 HydrophobicContact CE1-CD1 3.42Å; Y442-I489 VanDerWaalsContact CE1-CD1 3.42Å; Y442-I489 HydrophobicContact CE1-CG1 3.98Å; Y442-G490 WeakPolarHBondContact OH-CA 3.48Å; Y442-A497 HydrophobicContact CE2-CB 4.45Å; Y442-E498 VanDerWaalsContact O-CA 3.27Å; Y442-E498 WeakPolarHBondContact O-CA 3.45Å; Y442-G499 WeakPolarHBondContact CD1-O 3.48Å; Y442-G499 PolarHBondContact N-O 3.33Å; Y442-G499 PolarHBondContact O-N 2.84Å; Y442-V501 HydrophobicContact CD1-CG2 3.98Å; Y442-F511 AromaticContact CD1-CE1 3.9Å; Y442-F511 HydrophobicContact CD1-CE1 3.9Å; Y442-F511 HydrophobicContact CD1-CZ 4.26Å; Y442-F511 AromaticContact CG-CE1 3.83Å; Y442-F511 HydrophobicContact CG-CE1 3.83Å; Y442-F511 HydrophobicContact CG-CZ 4.41Å; Y442-H529 CarbonylContact C-O 3.58Å; Y442-H529 VanDerWaalsContact CA-O 3.28Å; Y442-H529 WeakPolarHBondContact CA-O 3.49Å
443	L	95.3	Very high	87.2	Confident	33 Å²	33	48.4 Å²	48.4	17%	0.173	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	125.8	168.8	164.4	69.7	0	0	0	108.3	V496 A497 E498 E527 H529	L443-V496 HydrophobicContact CD1-CG1 3.81Å; L443-A497 CarbonylContact C-O 3.59Å; L443-A497 WeakPolarHBondContact CA-O 3.48Å; L443-E498 HydrophobicContact CB-CB 4.33Å; L443-E498 HydrophobicContact CD1-CB 3.84Å; L443-E527 HydrophobicContact CD2-CG 4.43Å; L443-H529 HydrophobicContact CB-CB 4.16Å; L443-H529 PolarHBondContact N-O 3.24Å; L443-H529 PolarHBondContact O-N 2.94Å
444	F	95.9	Very high	87.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.5	169.9	-58.8	-78.4	0	0	0	108.6	F431 Y442 V461 F492 A497 F511 L513 L525 E527 I528 I530	F431-F444 HydrophobicContact CD2-CE1 4.22Å; F431-F444 HydrophobicContact CD2-CZ 4.42Å; F431-F444 HydrophobicContact CE2-CD1 4.41Å; F431-F444 AromaticContact CE2-CE1 3.59Å; F431-F444 HydrophobicContact CE2-CE1 3.59Å; F431-F444 HydrophobicContact CE2-CZ 4.14Å; F431-F444 HydrophobicContact CZ-CE1 4.05Å; Y442-F444 AromaticContact CD2-CD2 3.63Å; Y442-F444 HydrophobicContact CD2-CD2 3.63Å; Y442-F444 AromaticContact CD2-CE2 3.61Å; Y442-F444 HydrophobicContact CD2-CE2 3.61Å; Y442-F444 HydrophobicContact CE2-CD2 4.34Å; Y442-F444 HydrophobicContact CE2-CE2 4.5Å; Y442-F444 HydrophobicContact CG-CD2 4.48Å; Y442-F444 HydrophobicContact CG-CE2 4.06Å; F444-V461 HydrophobicContact CD2-CG1 4.35Å; F444-V461 HydrophobicContact CD2-CG2 4.19Å; F444-V461 HydrophobicContact CE2-CG1 3.86Å; F444-F492 HydrophobicContact CB-CE1 4.04Å; F444-F492 HydrophobicContact CB-CE2 4.46Å; F444-F492 HydrophobicContact CB-CZ 3.56Å; F444-F492 HydrophobicContact CG-CZ 4.44Å; F444-A497 HydrophobicContact CB-CB 4.48Å; F444-A497 PolarHBondContact N-O 2.8Å; F444-A497 PolarHBondContact O-N 2.68Å; F444-F511 AromaticContact CE2-CD1 3.91Å; F444-F511 HydrophobicContact CE2-CD1 3.91Å; F444-F511 HydrophobicContact CE2-CE1 4.21Å; F444-F511 AromaticContact CZ-CD1 3.85Å; F444-F511 HydrophobicContact CZ-CD1 3.85Å; F444-F511 HydrophobicContact CZ-CE1 4.43Å; F444-F511 HydrophobicContact CZ-CG 4.45Å; F444-L513 HydrophobicContact CD1-CD1 4.16Å; F444-L513 HydrophobicContact CD1-CD2 4.42Å; F444-L513 HydrophobicContact CD2-CD2 3.85Å; F444-L513 HydrophobicContact CE1-CD2 4.37Å; F444-L513 HydrophobicContact CE2-CD2 3.83Å; F444-L513 HydrophobicContact CG-CD1 4.31Å; F444-L513 HydrophobicContact CG-CD2 4.16Å; F444-L513 HydrophobicContact CZ-CD2 4.1Å; F444-L525 HydrophobicContact CB-CD1 4.13Å; F444-E527 WeakPolarHBondContact CA-O 3.35Å; F444-I528 HydrophobicContact CD1-CB 4.49Å; F444-I528 HydrophobicContact CD1-CG1 4.29Å; F444-I528 HydrophobicContact CD1-CG2 4.1Å; F444-I528 HydrophobicContact CE1-CG2 3.76Å; F444-I530 HydrophobicContact CZ-CD1 4.21Å; F444-I530 HydrophobicContact CZ-CG1 4.21Å
445	H	93.4	Very high	88	Confident	64 Å²	64	45.4 Å²	45.4	30%	0.296	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.9	177.2	-170	-83.4	0	0	0	110.2	G447 N526 E527	H445-G447 PolarHBondContact ND1-O 3.32Å; H445-N526 PolarHBondContact O-N 3.39Å; H445-E527 HydrophobicContact CB-CB 3.49Å; H445-E527 VanDerWaalsContact CB-CB 3.49Å; H445-E527 PolarHBondContact N-O 3.32Å; H445-E527 PolarHBondContact O-N 3.13Å; H445-E527 VanDerWaalsContact O-N 3.14Å
446	S	93.3	Very high	88.6	Confident	4 Å²	4	41.7 Å²	41.7	3%	0.028	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	144.8	-178.8	-171.9	0	0	0	0	110.6	I455 L456 G495 I524	S446-I455 WeakPolarHBondContact OG-CA 3.34Å; S446-L456 PolarHBondContact OG-N 3.06Å; S446-G495 WeakPolarHBondContact CA-O 3.29Å; S446-G495 VanDerWaalsContact CB-O 3.23Å; S446-G495 WeakPolarHBondContact CB-O 3.47Å; S446-G495 PolarHBondContact N-O 3.27Å; S446-I524 CarbonylContact C-O 3.57Å; S446-I524 WeakPolarHBondContact CA-O 3.25Å; S446-I524 VanDerWaalsContact CB-O 3.25Å; S446-I524 WeakPolarHBondContact CB-O 3.42Å; S446-I524 PolarHBondContact OG-O 3.14Å
447	G	88.5	Confident	88.7	Confident	3 Å²	3	42.3 Å²	42.3	3%	0.031	23%	0.23	C	C	.	.			trans	83.5	160.7	-170.2	0	0	0	0	0	113.2	H445 D454 I524 N526	H445-G447 PolarHBondContact ND1-O 3.32Å; G447-D454 WeakPolarHBondContact CA-O 3.29Å; G447-D454 PolarHBondContact N-O 3.39Å; G447-I524 PolarHBondContact N-O 3.24Å; G447-N526 WeakPolarHBondContact O-CB 2.97Å
448	N	80	Confident	88.9	Confident	11 Å²	11	45.6 Å²	45.6	6%	0.059	25%	0.247	C	C	.	.			trans	-141.8	176.6	175.6	71.1	25.3	0	0	0	110.9	L385 E450 H451 P452 I524 N526	L385-N448 HydrophobicContact CD2-CB 4.4Å; N448-E450 VanDerWaalsContact C-N 3.29Å; N448-E450 PolarHBondContact O-N 3.17Å; N448-E450 PolarHBondContact OD1-N 2.73Å; N448-E450 VanDerWaalsContact OD1-N 3.09Å; N448-H451 CarbonylContact O-C 3.55Å; N448-H451 VanDerWaalsContact O-C 3.25Å; N448-H451 PolarHBondContact O-N 2.99Å; N448-H451 PolarHBondContact OD1-N 3.26Å; N448-P452 VanDerWaalsContact O-CA 3.25Å; N448-P452 WeakPolarHBondContact O-CA 3.46Å; N448-P452 VanDerWaalsContact O-N 3.1Å; N448-I524 HydrophobicContact CB-CG2 4.45Å; N448-N526 HydrophobicContact CB-CB 4.49Å
449	Q	74.4	Confident	89.2	Confident	143 Å²	143	41.9 Å²	41.9	67%	0.668	23%	0.227	S	C	*	.	S	Bend	trans	-68.4	-26.6	-176	-66.2	-174	-4.4	0	0	113.8	L385	L385-Q449 HydrophobicContact CD2-CB 4.01Å; L385-Q449 HydrophobicContact CD2-CG 4.5Å
450	E	73.9	Confident	89.4	Confident	96 Å²	96	42.4 Å²	42.4	45%	0.449	23%	0.23	S	C	.	.	S	Bend	trans	-82.6	-30.9	-179.6	-61.7	-169.7	156.5	0	0	111.4	K382 L385 N448	K382-E450 IonicContact NZ-OE1 2.67Å; K382-E450 PolarHBondContact NZ-OE1 2.49Å; L385-E450 HydrophobicContact CD1-CG 4.19Å; L385-E450 HydrophobicContact CD2-CG 4.33Å; N448-E450 VanDerWaalsContact C-N 3.29Å; N448-E450 PolarHBondContact O-N 3.17Å; N448-E450 PolarHBondContact OD1-N 2.73Å; N448-E450 VanDerWaalsContact OD1-N 3.09Å
451	H	80.9	Confident	89.7	Confident	67 Å²	67	39.8 Å²	39.8	31%	0.31	22%	0.218	S	C	.	.			trans	-134.9	69	-177.9	-60.1	-70.1	0	0	0	110.6	W419 N448 G453 D454 I524	W419-H451 AromaticContact CH2-CD2 3.89Å; W419-H451 AromaticContact CH2-CE1 3.93Å; W419-H451 AromaticContact CH2-NE2 3.56Å; N448-H451 CarbonylContact O-C 3.55Å; N448-H451 VanDerWaalsContact O-C 3.25Å; N448-H451 PolarHBondContact O-N 2.99Å; N448-H451 PolarHBondContact OD1-N 3.26Å; H451-G453 PolarHBondContact O-N 2.68Å; H451-D454 HydrophobicContact CB-CB 4.24Å; H451-D454 PolarHBondContact O-N 3.09Å; H451-I524 HydrophobicContact CB-CD1 3.64Å
452	P	81.3	Confident	89.8	Confident	98 Å²	98	38.6 Å²	38.6	64%	0.636	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-17.3	-175.7	27.7	-35.8	0	0	0	113.7	N448	N448-P452 VanDerWaalsContact O-CA 3.25Å; N448-P452 WeakPolarHBondContact O-CA 3.46Å; N448-P452 VanDerWaalsContact O-N 3.1Å
453	G	84.6	Confident	89.9	Confident	42 Å²	42	38.1 Å²	38.1	43%	0.433	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-14.8	177.3	0	0	0	0	0	114.5	H451 I455 V521	H451-G453 PolarHBondContact O-N 2.68Å; G453-I455 PolarHBondContact O-N 2.8Å; G453-I455 VanDerWaalsContact O-N 3.1Å; G453-V521 WeakPolarHBondContact O-CG2 3.47Å
454	D	91.8	Very high	89.9	Confident	29 Å²	29	38.8 Å²	38.8	16%	0.155	21%	0.211	C	C	.	.			trans	-87.3	79	-176.7	-74.3	10.7	0	0	0	109.9	W419 G447 H451 W522 I524	W419-D454 PolarHBondContact NE1-OD2 3.36Å; G447-D454 WeakPolarHBondContact CA-O 3.29Å; G447-D454 PolarHBondContact N-O 3.39Å; H451-D454 HydrophobicContact CB-CB 4.24Å; H451-D454 PolarHBondContact O-N 3.09Å; D454-W522 CarbonylContact C-O 3.55Å; D454-W522 VanDerWaalsContact C-O 3.27Å; D454-W522 WeakPolarHBondContact CA-O 3.46Å; D454-W522 HydrophobicContact CB-CB 4.36Å; D454-I524 HydrophobicContact CB-CB 4.37Å; D454-I524 HydrophobicContact CB-CD1 3.75Å; D454-I524 HydrophobicContact CB-CG1 3.83Å; D454-I524 WeakPolarHBondContact O-CB 3.3Å; D454-I524 PolarHBondContact O-N 2.7Å
455	I	93.8	Very high	89.8	Confident	33 Å²	33	39 Å²	39	17%	0.169	21%	0.212	C	C	.	.			trans	-123.8	150.7	-173.5	58.8	171.7	0	0	0	112.8	S446 G453 L457 W522	S446-I455 WeakPolarHBondContact OG-CA 3.34Å; G453-I455 PolarHBondContact O-N 2.8Å; G453-I455 VanDerWaalsContact O-N 3.1Å; I455-L457 HydrophobicContact CD1-CD2 3.63Å; I455-L457 HydrophobicContact CD1-CG 4.29Å; I455-L457 HydrophobicContact CG1-CD2 3.95Å; I455-L457 HydrophobicContact CG1-CG 4.06Å; I455-L457 PolarHBondContact O-N 3.3Å; I455-W522 PolarHBondContact N-O 3.25Å
456	L	92.9	Very high	89.5	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.021	22%	0.223	C	C	.	.			trans	-72.6	106.1	169.9	-72.6	170.3	0	0	0	109.2	P423 I429 S446 F492 L513 A523 L525	P423-L456 HydrophobicContact CG-CD2 4.3Å; I429-L456 HydrophobicContact CD1-CD1 4.27Å; S446-L456 PolarHBondContact OG-N 3.06Å; L456-F492 HydrophobicContact CB-CD1 4.22Å; L456-F492 HydrophobicContact CB-CE1 4.34Å; L456-F492 HydrophobicContact CB-CG 4.34Å; L456-F492 HydrophobicContact CD1-CE1 4.24Å; L456-F492 HydrophobicContact CD1-CE2 4.25Å; L456-F492 HydrophobicContact CD1-CZ 3.87Å; L456-L513 HydrophobicContact CD1-CD1 4.46Å; L456-A523 HydrophobicContact CD2-CB 3.61Å; L456-A523 HydrophobicContact CG-CB 4.09Å; L456-L525 HydrophobicContact CD1-CD1 4.42Å
457	L	90.4	Very high	88.9	Confident	71 Å²	71	48 Å²	48	37%	0.372	25%	0.25	S	S	.	.			trans	-97.8	150.5	173.5	-64.4	174.3	0	0	0	110.2	I455 T459 V521	I455-L457 HydrophobicContact CD1-CD2 3.63Å; I455-L457 HydrophobicContact CD1-CG 4.29Å; I455-L457 HydrophobicContact CG1-CD2 3.95Å; I455-L457 HydrophobicContact CG1-CG 4.06Å; I455-L457 PolarHBondContact O-N 3.3Å; L457-T459 PolarHBondContact O-N 3.46Å; L457-T459 PolarHBondContact O-OG1 2.79Å; L457-V521 HydrophobicContact CD1-CG2 4.08Å
458	N	91.7	Very high	87.7	Confident	87 Å²	87	50.1 Å²	50.1	47%	0.465	27%	0.265	S	S	.	.	S	Bend	trans	49.2	36.4	175.3	-64.6	-37.5	0	0	0	113.8	I516 Q517	N458-I516 VanDerWaalsContact O-CB 3.31Å; N458-I516 WeakPolarHBondContact O-CB 3.32Å; N458-I516 WeakPolarHBondContact O-CG1 3.31Å; N458-I516 PolarHBondContact O-N 3Å; N458-Q517 HydrophobicContact CB-CB 4.05Å; N458-Q517 HydrophobicContact CB-CG 4.38Å; N458-Q517 PolarHBondContact ND2-OE1 3.03Å
459	T	96.1	Very high	86.9	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	136.4	-178.6	-59.6	0	0	0	0	109	L457 K491 F492 L513 S514 V515	L457-T459 PolarHBondContact O-N 3.46Å; L457-T459 PolarHBondContact O-OG1 2.79Å; T459-K491 WeakPolarHBondContact O-CA 3.25Å; T459-F492 HydrophobicContact CG2-CD2 3.84Å; T459-F492 HydrophobicContact CG2-CE2 3.95Å; T459-F492 PolarHBondContact O-N 3.49Å; T459-L513 HydrophobicContact CG2-CB 3.95Å; T459-S514 CarbonylContact C-O 3.59Å; T459-S514 WeakPolarHBondContact CA-O 3.32Å; T459-V515 HydrophobicContact CG2-CG2 4.36Å
460	T	97	Very high	86.2	Confident	11 Å²	11	55.4 Å²	55.4	7%	0.067	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	151.2	-179.4	61.8	0	0	0	0	111.5	E462 R488 K491 L513 S514 I516	T460-E462 PolarHBondContact OG1-OE1 2.93Å; T460-R488 HydrophobicContact CG2-CG 4.45Å; T460-R488 PolarHBondContact OG1-NE 3.22Å; T460-K491 HydrophobicContact CG2-CB 4.27Å; T460-L513 CarbonylContact O-C 3.54Å; T460-L513 VanDerWaalsContact O-CA 3.28Å; T460-L513 WeakPolarHBondContact O-CA 3.29Å; T460-S514 PolarHBondContact N-O 3.43Å; T460-S514 PolarHBondContact O-N 2.64Å; T460-I516 HydrophobicContact CG2-CD1 4.14Å; T460-I516 HydrophobicContact CG2-CG1 3.73Å
461	V	97.6	Very high	85.9	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	123	173.9	-173.5	0	0	0	0	108.1	Y442 F444 I489 G490 F492 A497 F511 L513	Y442-V461 HydrophobicContact CD2-CG1 4.1Å; Y442-V461 HydrophobicContact CE2-CB 4.15Å; Y442-V461 HydrophobicContact CE2-CG1 3.87Å; Y442-V461 HydrophobicContact CE2-CG2 3.9Å; F444-V461 HydrophobicContact CD2-CG1 4.35Å; F444-V461 HydrophobicContact CD2-CG2 4.19Å; F444-V461 HydrophobicContact CE2-CG1 3.86Å; V461-I489 HydrophobicContact CB-CG1 4.36Å; V461-I489 HydrophobicContact CG1-CD1 4.26Å; V461-I489 HydrophobicContact CG1-CG1 4.02Å; V461-I489 WeakPolarHBondContact O-CG1 3.44Å; V461-I489 PolarHBondContact O-N 2.87Å; V461-G490 PolarHBondContact N-O 3.46Å; V461-G490 PolarHBondContact O-N 2.86Å; V461-F492 HydrophobicContact CG2-CE2 4.36Å; V461-A497 HydrophobicContact CG2-CB 3.54Å; V461-F511 HydrophobicContact CG1-CD1 3.91Å; V461-F511 HydrophobicContact CG1-CE1 4.02Å; V461-L513 HydrophobicContact CB-CD2 4.36Å; V461-L513 HydrophobicContact CG1-CD2 4.16Å; V461-L513 HydrophobicContact CG2-CD2 3.93Å
462	E	97.3	Very high	85.3	Confident	3 Å²	3	58.8 Å²	58.8	1%	0.014	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.2	-174.2	-56.9	173.9	168.4	0	0	109.7	T460 L482 Y486 F487 R488 F511 R512 S514	T460-E462 PolarHBondContact OG1-OE1 2.93Å; E462-L482 HydrophobicContact CG-CD1 4.09Å; E462-L482 VanDerWaalsContact OE1-CD1 3.25Å; E462-L482 WeakPolarHBondContact OE1-CD1 3.45Å; E462-Y486 HydrophobicContact CB-CD1 4.01Å; E462-F487 CarbonylContact C-O 3.49Å; E462-F487 VanDerWaalsContact CA-O 3.22Å; E462-F487 WeakPolarHBondContact CA-O 3.25Å; E462-R488 HydrophobicContact CG-CB 4.44Å; E462-R488 IonicContact OE1-NH2 3.36Å; E462-F511 CarbonylContact O-C 3.25Å; E462-F511 WeakPolarHBondContact O-CA 3.5Å; E462-R512 HydrophobicContact CB-CB 4.37Å; E462-R512 WeakPolarHBondContact CB-O 3.47Å; E462-R512 PolarHBondContact N-O 2.8Å; E462-R512 PolarHBondContact O-N 3.12Å; E462-R512 IonicContact OE2-CZ 3.19Å; E462-R512 IonicContact OE2-NE 2.82Å; E462-R512 PolarHBondContact OE2-NE 3.24Å; E462-R512 IonicContact OE2-NH2 2.73Å; E462-R512 PolarHBondContact OE2-NH2 3.43Å; E462-S514 WeakPolarHBondContact OE1-CB 3.46Å
463	V	96.6	Very high	85	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	147.6	177.8	-68	0	0	0	0	112.1	Y486 F487 I489 L505 I508 A510 F511	V463-Y486 CarbonylContact O-C 3.53Å; V463-Y486 WeakPolarHBondContact O-CA 3.15Å; V463-F487 HydrophobicContact CG2-CB 4.31Å; V463-F487 PolarHBondContact N-O 3.43Å; V463-F487 PolarHBondContact O-N 3.47Å; V463-I489 HydrophobicContact CB-CD1 4.33Å; V463-I489 HydrophobicContact CG1-CD1 3.39Å; V463-I489 HydrophobicContact CG1-CG1 4.13Å; V463-I489 HydrophobicContact CG2-CD1 4.03Å; V463-I489 HydrophobicContact CG2-CG1 4.34Å; V463-I489 HydrophobicContact CG2-CG2 3.65Å; V463-L505 HydrophobicContact CG2-CD1 4.11Å; V463-I508 HydrophobicContact CB-CD1 4.09Å; V463-I508 HydrophobicContact CB-CG2 4.01Å; V463-I508 HydrophobicContact CG1-CG2 4.22Å; V463-I508 HydrophobicContact CG2-CD1 4.08Å; V463-A510 WeakPolarHBondContact CA-O 3.41Å; V463-F511 HydrophobicContact CG1-CD1 3.64Å; V463-F511 HydrophobicContact CG1-CD2 3.82Å; V463-F511 HydrophobicContact CG1-CE1 3.45Å; V463-F511 VanDerWaalsContact CG1-CE1 3.45Å; V463-F511 HydrophobicContact CG1-CE2 3.62Å; V463-F511 HydrophobicContact CG1-CG 3.83Å; V463-F511 HydrophobicContact CG1-CZ 3.43Å; V463-F511 VanDerWaalsContact CG1-CZ 3.43Å
464	L	95.6	Very high	84.6	Confident	47 Å²	47	55.6 Å²	55.6	25%	0.246	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	107.8	174.7	-177	65.1	0	0	0	110.2	Y486 S509 A510	L464-Y486 HydrophobicContact CB-CD1 3.94Å; L464-Y486 HydrophobicContact CB-CD2 4.39Å; L464-Y486 HydrophobicContact CB-CE1 3.65Å; L464-Y486 HydrophobicContact CB-CE2 4.14Å; L464-Y486 HydrophobicContact CB-CG 4.29Å; L464-Y486 HydrophobicContact CD1-CD2 4.17Å; L464-Y486 HydrophobicContact CD1-CE2 4.24Å; L464-Y486 HydrophobicContact CD2-CE2 4.11Å; L464-Y486 HydrophobicContact CG-CE2 4.4Å; L464-S509 WeakPolarHBondContact O-CB 3.35Å; L464-S509 PolarHBondContact O-N 3.32Å; L464-A510 HydrophobicContact CB-CB 4.26Å; L464-A510 PolarHBondContact N-O 3.49Å; L464-A510 PolarHBondContact O-N 2.9Å
465	P	93.8	Very high	83.8	Confident	5 Å²	5	62.5 Å²	62.5	3%	0.032	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	145.8	172	-24.5	35.7	0	0	0	112.3	L471 F487 L505	P465-L471 HydrophobicContact CB-CD1 4.18Å; P465-L471 HydrophobicContact CG-CD1 4.4Å; P465-F487 HydrophobicContact CG-CD2 3.82Å; P465-F487 HydrophobicContact CG-CE2 3.9Å; P465-L505 WeakPolarHBondContact CB-O 3.41Å; P465-L505 HydrophobicContact CG-CB 4.23Å; P465-L505 HydrophobicContact CG-CD2 3.92Å
466	F	88.4	Confident	82.9	Confident	119 Å²	119	67.8 Å²	67.8	52%	0.522	35%	0.353	S	S	.	.	S	Bend	trans	-69	-33.8	174.2	178.8	-111.7	0	0	0	113.4	P436 P507 S509	P436-F466 HydrophobicContact CB-CB 3.89Å; P436-F466 HydrophobicContact CB-CD1 4.48Å; P436-F466 HydrophobicContact CB-CD2 4.22Å; P436-F466 HydrophobicContact CB-CG 3.95Å; P436-F466 HydrophobicContact CG-CB 3.91Å; P436-F466 HydrophobicContact CG-CD1 4.08Å; P436-F466 HydrophobicContact CG-CD2 3.29Å; P436-F466 HydrophobicContact CG-CE1 4.47Å; P436-F466 HydrophobicContact CG-CE2 3.74Å; P436-F466 HydrophobicContact CG-CG 3.48Å; P436-F466 VanDerWaalsContact CG-CG 3.48Å; P436-F466 HydrophobicContact CG-CZ 4.32Å; F466-P507 HydrophobicContact CB-CG 4.1Å; F466-P507 WeakPolarHBondContact CB-O 3.42Å; F466-P507 HydrophobicContact CD1-CG 4.46Å; F466-P507 PolarHBondContact N-O 2.66Å; F466-S509 WeakPolarHBondContact CA-OG 3.45Å; F466-S509 WeakPolarHBondContact CB-OG 3.18Å; F466-S509 PolarHBondContact N-OG 2.69Å
467	K	79.6	Confident	82.2	Confident	137 Å²	137	68.1 Å²	68.1	60%	0.596	36%	0.355	S	S	*	.			trans	-114.8	101.2	175.3	-66.1	-177.2	-179.8	-178.9	0	108.2	L471	K467-L471 WeakPolarHBondContact O-CD1 3.42Å; K467-L471 WeakPolarHBondContact O-CD2 3.24Å; K467-L471 WeakPolarHBondContact O-CG 3.4Å
468	S	64.8	Low	81.5	Confident	49 Å²	49	70.4 Å²	70.4	34%	0.343	36%	0.362	S	S	.	.			trans	-91.6	-16.8	-179.7	51.4	0	0	0	0	113.4
469	E	62.4	Low	81	Confident	181 Å²	181	72.4 Å²	72.4	85%	0.846	37%	0.373	S	S	*	.	S	Bend	trans	-95.5	130.1	178.2	-69.6	-178.1	172.4	0	0	111.4
470	G	60.6	Low	80.5	Confident	83 Å²	83	77.2 Å²	77.2	86%	0.856	39%	0.394	S	S	*	.	S	Bend	trans	78.8	12.3	174.6	0	0	0	0	0	116	E472	G470-E472 PolarHBondContact O-N 3.4Å
471	L	67.8	Low	80.2	Confident	40 Å²	40	82.9 Å²	82.9	21%	0.209	41%	0.414	C	S	.	.			trans	-66.2	125.5	173.3	-67.1	175	0	0	0	110.8	P465 K467 I473 S504	P465-L471 HydrophobicContact CB-CD1 4.18Å; P465-L471 HydrophobicContact CG-CD1 4.4Å; K467-L471 WeakPolarHBondContact O-CD1 3.42Å; K467-L471 WeakPolarHBondContact O-CD2 3.24Å; K467-L471 WeakPolarHBondContact O-CG 3.4Å; L471-I473 HydrophobicContact CB-CD1 3.69Å; L471-I473 HydrophobicContact CB-CG1 3.34Å; L471-I473 HydrophobicContact CD1-CD1 3.75Å; L471-I473 HydrophobicContact CD1-CG1 4.22Å; L471-I473 HydrophobicContact CG-CD1 4.4Å; L471-I473 HydrophobicContact CG-CG1 4.43Å; L471-I473 WeakPolarHBondContact O-CG1 3.34Å; L471-I473 PolarHBondContact O-N 3.38Å; L471-S504 WeakPolarHBondContact CD2-O 3.28Å
472	E	66.8	Low	79.9	Confident	194 Å²	194	85 Å²	85	91%	0.907	43%	0.425	S	S	*	.			trans	-77.5	76.9	168.1	-69.3	-170.4	170.9	0	0	109.5	G470	G470-E472 PolarHBondContact O-N 3.4Å
473	I	75.8	Confident	79.4	Confident	18 Å²	18	95 Å²	95	9%	0.092	47%	0.472	C	S	.	.			trans	-98.3	146	179.7	-22.8	177.3	0	0	0	110.4	L471 T477 K478 F487 S504 L505	L471-I473 HydrophobicContact CB-CD1 3.69Å; L471-I473 HydrophobicContact CB-CG1 3.34Å; L471-I473 HydrophobicContact CD1-CD1 3.75Å; L471-I473 HydrophobicContact CD1-CG1 4.22Å; L471-I473 HydrophobicContact CG-CD1 4.4Å; L471-I473 HydrophobicContact CG-CG1 4.43Å; L471-I473 WeakPolarHBondContact O-CG1 3.34Å; L471-I473 PolarHBondContact O-N 3.38Å; I473-T477 HydrophobicContact CG2-CG2 3.37Å; I473-K478 HydrophobicContact CB-CG 4.26Å; I473-K478 WeakPolarHBondContact O-CE 3.41Å; I473-F487 HydrophobicContact CD1-CE1 3.81Å; I473-F487 HydrophobicContact CD1-CZ 3.69Å; I473-S504 WeakPolarHBondContact CG2-OG 3.36Å; I473-L505 HydrophobicContact CD1-CD2 4.14Å; I473-L505 HydrophobicContact CG2-CD2 4.37Å
474	S	76.1	Confident	79.1	Confident	56 Å²	56	99 Å²	99	39%	0.392	49%	0.493	S	S	.	.			trans	-57.2	156.8	173.5	78.2	0	0	0	0	111.4	E476 T477 K478	S474-E476 VanDerWaalsContact C-N 3.25Å; S474-E476 PolarHBondContact O-N 3.04Å; S474-T477 PolarHBondContact O-N 3.04Å; S474-T477 PolarHBondContact OG-N 2.84Å; S474-T477 PolarHBondContact OG-OG1 2.95Å; S474-K478 PolarHBondContact O-N 2.69Å
475	K	74.3	Confident	78.9	Confident	173 Å²	173	97.3 Å²	97.3	75%	0.752	49%	0.487	S	S	*	.	H	α-helix	trans	-58.3	-40.6	178.3	-165.3	178.3	179.2	-175.4	0	111.5	T477 K478 D479	K475-T477 PolarHBondContact O-N 3.42Å; K475-K478 PolarHBondContact O-N 2.84Å; K475-D479 PolarHBondContact O-N 3.43Å
476	E	75.4	Confident	78.9	Confident	144 Å²	144	98.2 Å²	98.2	67%	0.673	49%	0.49	S	S	*	.	H	α-helix	trans	-64.1	-36.9	178.4	-63.9	176.9	-175.5	0	0	113.3	S474 K480	S474-E476 VanDerWaalsContact C-N 3.25Å; S474-E476 PolarHBondContact O-N 3.04Å; E476-K480 WeakPolarHBondContact O-CG 3.38Å
477	T	77.6	Confident	79.2	Confident	12 Å²	12	92.6 Å²	92.6	7%	0.074	47%	0.465	C	S	.	.	H	α-helix	trans	-77.3	-30	178	-51.5	0	0	0	0	111.1	I473 S474 K475 D479 K480 F487 D502 L505	I473-T477 HydrophobicContact CG2-CG2 3.37Å; S474-T477 PolarHBondContact O-N 3.04Å; S474-T477 PolarHBondContact OG-N 2.84Å; S474-T477 PolarHBondContact OG-OG1 2.95Å; K475-T477 PolarHBondContact O-N 3.42Å; T477-D479 VanDerWaalsContact C-N 3.34Å; T477-D479 PolarHBondContact O-N 3.37Å; T477-K480 PolarHBondContact O-N 2.99Å; T477-F487 HydrophobicContact CG2-CD1 4.22Å; T477-F487 WeakPolarHBondContact O-CD1 3.47Å; T477-F487 WeakPolarHBondContact O-CE1 3.25Å; T477-D502 PolarHBondContact OG1-OD2 3.37Å; T477-L505 HydrophobicContact CG2-CD1 4.11Å; T477-L505 HydrophobicContact CG2-CD2 4.05Å; T477-L505 HydrophobicContact CG2-CG 4.26Å
478	K	76.9	Confident	80	Confident	119 Å²	119	90.7 Å²	90.7	52%	0.517	45%	0.454	S	S	.	.	H	α-helix	trans	-63.4	-38.5	172.2	-74.1	-176.2	-178.4	179.2	0	112.6	I473 S474 K475 K480 R481	I473-K478 HydrophobicContact CB-CG 4.26Å; I473-K478 WeakPolarHBondContact O-CE 3.41Å; S474-K478 PolarHBondContact O-N 2.69Å; K475-K478 PolarHBondContact O-N 2.84Å; K478-K480 PolarHBondContact O-N 2.92Å; K478-R481 VanDerWaalsContact O-CB 3.25Å; K478-R481 WeakPolarHBondContact O-CB 3.49Å; K478-R481 PolarHBondContact O-N 3.36Å; K478-R481 VanDerWaalsContact O-N 3.13Å
479	D	80.2	Confident	81.4	Confident	129 Å²	129	90.1 Å²	90.1	69%	0.69	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.2	179	-64.6	-20.1	0	0	0	112.8	K475 T477	K475-D479 PolarHBondContact O-N 3.43Å; T477-D479 VanDerWaalsContact C-N 3.34Å; T477-D479 PolarHBondContact O-N 3.37Å
480	K	87	Confident	83	Confident	101 Å²	101	82.4 Å²	82.4	44%	0.439	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-0.5	175.9	-64.3	171.6	-174.9	177.4	0	113.7	E476 T477 K478 F487 R488	E476-K480 WeakPolarHBondContact O-CG 3.38Å; T477-K480 PolarHBondContact O-N 2.99Å; K478-K480 PolarHBondContact O-N 2.92Å; K480-F487 WeakPolarHBondContact O-CA 3.06Å; K480-R488 WeakPolarHBondContact CD-O 3.5Å; K480-R488 PolarHBondContact O-N 3.43Å
481	R	89.9	Confident	84.7	Confident	130 Å²	130	84.2 Å²	84.2	49%	0.491	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-74.8	132.6	-179.9	-170.2	176.9	177.1	166.5	0.8	110.8	K478 F487	K478-R481 VanDerWaalsContact O-CB 3.25Å; K478-R481 WeakPolarHBondContact O-CB 3.49Å; K478-R481 PolarHBondContact O-N 3.36Å; K478-R481 VanDerWaalsContact O-N 3.13Å; R481-F487 HydrophobicContact CB-CD1 3.97Å; R481-F487 HydrophobicContact CB-CE1 3.6Å; R481-F487 HydrophobicContact CB-CZ 3.93Å; R481-F487 HydrophobicContact CG-CD1 4.43Å; R481-F487 HydrophobicContact CG-CE1 3.93Å; R481-F487 HydrophobicContact CG-CE2 4.01Å; R481-F487 HydrophobicContact CG-CZ 3.7Å
482	L	90.3	Very high	86	Confident	46 Å²	46	83 Å²	83	24%	0.241	39%	0.393	C	S	.	.			trans	-94	161.6	175.3	-56.1	176.3	0	0	0	110.6	E462 D484 G485 Y486	E462-L482 HydrophobicContact CG-CD1 4.09Å; E462-L482 VanDerWaalsContact OE1-CD1 3.25Å; E462-L482 WeakPolarHBondContact OE1-CD1 3.45Å; L482-D484 WeakPolarHBondContact CB-OD1 3.36Å; L482-D484 PolarHBondContact O-N 2.73Å; L482-G485 PolarHBondContact O-N 3.43Å; L482-Y486 WeakPolarHBondContact CB-O 3.49Å; L482-Y486 PolarHBondContact N-O 3.02Å
483	E	88.4	Confident	87.2	Confident	212 Å²	212	79.3 Å²	79.3	99%	0.991	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-31.3	-176.4	-64.5	-176.9	173.9	0	0	113.1	G485	E483-G485 VanDerWaalsContact C-N 3.25Å; E483-G485 PolarHBondContact O-N 2.97Å
484	D	89.8	Confident	87.7	Confident	85 Å²	85	86.1 Å²	86.1	46%	0.455	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	6.9	178.6	65.9	-1.6	0	0	0	113.9	L482 Y486 R512	L482-D484 WeakPolarHBondContact CB-OD1 3.36Å; L482-D484 PolarHBondContact O-N 2.73Å; D484-Y486 PolarHBondContact OD1-N 3.02Å; D484-R512 IonicContact OD1-NH2 3.49Å; D484-R512 PolarHBondContact OD1-NH2 3.14Å; D484-R512 IonicContact OD2-CZ 3.14Å; D484-R512 IonicContact OD2-NH1 2.7Å; D484-R512 PolarHBondContact OD2-NH1 3.49Å; D484-R512 IonicContact OD2-NH2 2.71Å; D484-R512 PolarHBondContact OD2-NH2 2.92Å
485	G	90.6	Very high	88.4	Confident	10 Å²	10	83.5 Å²	83.5	10%	0.103	39%	0.394	C	S	.	.	S	Bend	trans	87.6	-2.9	176.1	0	0	0	0	0	115.2	L482 E483	L482-G485 PolarHBondContact O-N 3.43Å; E483-G485 VanDerWaalsContact C-N 3.25Å; E483-G485 PolarHBondContact O-N 2.97Å
486	Y	94.4	Very high	89.3	Confident	24 Å²	24	77.2 Å²	77.2	9%	0.094	37%	0.37	C	S	.	.			trans	-72.3	156.4	170.8	-79	-104.2	0	0	0	111.4	L430 E462 V463 L464 L482 D484 A510 R512	L430-Y486 WeakPolarHBondContact CD1-OH 3.43Å; E462-Y486 HydrophobicContact CB-CD1 4.01Å; V463-Y486 CarbonylContact O-C 3.53Å; V463-Y486 WeakPolarHBondContact O-CA 3.15Å; L464-Y486 HydrophobicContact CB-CD1 3.94Å; L464-Y486 HydrophobicContact CB-CD2 4.39Å; L464-Y486 HydrophobicContact CB-CE1 3.65Å; L464-Y486 HydrophobicContact CB-CE2 4.14Å; L464-Y486 HydrophobicContact CB-CG 4.29Å; L464-Y486 HydrophobicContact CD1-CD2 4.17Å; L464-Y486 HydrophobicContact CD1-CE2 4.24Å; L464-Y486 HydrophobicContact CD2-CE2 4.11Å; L464-Y486 HydrophobicContact CG-CE2 4.4Å; L482-Y486 WeakPolarHBondContact CB-O 3.49Å; L482-Y486 PolarHBondContact N-O 3.02Å; D484-Y486 PolarHBondContact OD1-N 3.02Å; Y486-A510 HydrophobicContact CE1-CB 4.48Å; Y486-R512 HydrophobicContact CD1-CB 4.08Å; Y486-R512 HydrophobicContact CE1-CB 3.64Å
487	F	94.9	Very high	90.3	Very high	1 Å²	1	70.4 Å²	70.4	0%	0.004	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.1	173.7	-72.5	-102.4	0	0	0	109.2	E462 V463 P465 I473 T477 K480 R481 I489 L505	E462-F487 CarbonylContact C-O 3.49Å; E462-F487 VanDerWaalsContact CA-O 3.22Å; E462-F487 WeakPolarHBondContact CA-O 3.25Å; V463-F487 HydrophobicContact CG2-CB 4.31Å; V463-F487 PolarHBondContact N-O 3.43Å; V463-F487 PolarHBondContact O-N 3.47Å; P465-F487 HydrophobicContact CG-CD2 3.82Å; P465-F487 HydrophobicContact CG-CE2 3.9Å; I473-F487 HydrophobicContact CD1-CE1 3.81Å; I473-F487 HydrophobicContact CD1-CZ 3.69Å; T477-F487 HydrophobicContact CG2-CD1 4.22Å; T477-F487 WeakPolarHBondContact O-CD1 3.47Å; T477-F487 WeakPolarHBondContact O-CE1 3.25Å; K480-F487 WeakPolarHBondContact O-CA 3.06Å; R481-F487 HydrophobicContact CB-CD1 3.97Å; R481-F487 HydrophobicContact CB-CE1 3.6Å; R481-F487 HydrophobicContact CB-CZ 3.93Å; R481-F487 HydrophobicContact CG-CD1 4.43Å; R481-F487 HydrophobicContact CG-CE1 3.93Å; R481-F487 HydrophobicContact CG-CE2 4.01Å; R481-F487 HydrophobicContact CG-CZ 3.7Å; F487-I489 PolarHBondContact O-N 2.8Å; F487-L505 HydrophobicContact CB-CD1 4.24Å; F487-L505 HydrophobicContact CD1-CD2 4.04Å; F487-L505 HydrophobicContact CD2-CD2 4.14Å; F487-L505 HydrophobicContact CE1-CD2 4.18Å; F487-L505 HydrophobicContact CE2-CD2 4.3Å; F487-L505 HydrophobicContact CG-CD2 4Å; F487-L505 HydrophobicContact CZ-CD2 4.31Å
488	R	95.6	Very high	91.2	Very high	97 Å²	97	76.5 Å²	76.5	37%	0.366	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	113.7	174.5	-174.2	176.7	-67.5	160.3	0.7	109.9	T460 E462 K480	T460-R488 HydrophobicContact CG2-CG 4.45Å; T460-R488 PolarHBondContact OG1-NE 3.22Å; E462-R488 HydrophobicContact CG-CB 4.44Å; E462-R488 IonicContact OE1-NH2 3.36Å; K480-R488 WeakPolarHBondContact CD-O 3.5Å; K480-R488 PolarHBondContact O-N 3.43Å
489	I	95.1	Very high	92	Very high	38 Å²	38	72.1 Å²	72.1	20%	0.195	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-15.8	-176.2	60.9	166.6	0	0	0	113.7	Y442 V461 V463 F487 V501 L505 F511	Y442-I489 HydrophobicContact CD1-CD1 3.78Å; Y442-I489 HydrophobicContact CE1-CD1 3.42Å; Y442-I489 VanDerWaalsContact CE1-CD1 3.42Å; Y442-I489 HydrophobicContact CE1-CG1 3.98Å; V461-I489 HydrophobicContact CB-CG1 4.36Å; V461-I489 HydrophobicContact CG1-CD1 4.26Å; V461-I489 HydrophobicContact CG1-CG1 4.02Å; V461-I489 WeakPolarHBondContact O-CG1 3.44Å; V461-I489 PolarHBondContact O-N 2.87Å; V463-I489 HydrophobicContact CB-CD1 4.33Å; V463-I489 HydrophobicContact CG1-CD1 3.39Å; V463-I489 HydrophobicContact CG1-CG1 4.13Å; V463-I489 HydrophobicContact CG2-CD1 4.03Å; V463-I489 HydrophobicContact CG2-CG1 4.34Å; V463-I489 HydrophobicContact CG2-CG2 3.65Å; F487-I489 PolarHBondContact O-N 2.8Å; I489-V501 HydrophobicContact CD1-CG2 4.16Å; I489-L505 HydrophobicContact CG2-CD1 3.93Å; I489-F511 HydrophobicContact CD1-CE1 3.92Å; I489-F511 HydrophobicContact CD1-CZ 4.26Å
490	G	94.9	Very high	92.7	Very high	18 Å²	18	72.3 Å²	72.3	19%	0.186	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	-174.8	177.4	0	0	0	0	0	113.7	Y442 V461	Y442-G490 WeakPolarHBondContact OH-CA 3.48Å; V461-G490 PolarHBondContact N-O 3.46Å; V461-G490 PolarHBondContact O-N 2.86Å
491	K	96	Very high	93	Very high	122 Å²	122	67.7 Å²	67.7	53%	0.53	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	157.6	175.7	60.3	175.4	177.3	149.7	0	110.2	T459 T460 E493	T459-K491 WeakPolarHBondContact O-CA 3.25Å; T460-K491 HydrophobicContact CG2-CB 4.27Å; K491-E493 WeakPolarHBondContact CE-OE1 3.49Å; K491-E493 HydrophobicContact CG-CG 4.34Å; K491-E493 IonicContact NZ-OE1 3.89Å; K491-E493 PolarHBondContact NZ-OE1 2.85Å
492	F	95.3	Very high	93	Very high	15 Å²	15	64 Å²	64	7%	0.066	32%	0.323	C	S	.	.			trans	-74	127.6	171.4	-80.1	-98.1	0	0	0	110.4	F444 L456 T459 V461 V496 A497 L513 L525	F444-F492 HydrophobicContact CB-CE1 4.04Å; F444-F492 HydrophobicContact CB-CE2 4.46Å; F444-F492 HydrophobicContact CB-CZ 3.56Å; F444-F492 HydrophobicContact CG-CZ 4.44Å; L456-F492 HydrophobicContact CB-CD1 4.22Å; L456-F492 HydrophobicContact CB-CE1 4.34Å; L456-F492 HydrophobicContact CB-CG 4.34Å; L456-F492 HydrophobicContact CD1-CE1 4.24Å; L456-F492 HydrophobicContact CD1-CE2 4.25Å; L456-F492 HydrophobicContact CD1-CZ 3.87Å; T459-F492 HydrophobicContact CG2-CD2 3.84Å; T459-F492 HydrophobicContact CG2-CE2 3.95Å; T459-F492 PolarHBondContact O-N 3.49Å; V461-F492 HydrophobicContact CG2-CE2 4.36Å; F492-V496 WeakPolarHBondContact CA-O 3.49Å; F492-A497 HydrophobicContact CD1-CB 3.98Å; F492-A497 HydrophobicContact CD2-CB 3.73Å; F492-A497 HydrophobicContact CE1-CB 4.06Å; F492-A497 HydrophobicContact CE2-CB 3.83Å; F492-A497 HydrophobicContact CG-CB 3.82Å; F492-A497 HydrophobicContact CZ-CB 4Å; F492-L513 HydrophobicContact CE2-CD1 4.07Å; F492-L513 HydrophobicContact CE2-CD2 4.15Å; F492-L513 HydrophobicContact CZ-CD1 4.04Å; F492-L525 HydrophobicContact CZ-CD1 4.47Å
493	E	92.4	Very high	93	Very high	116 Å²	116	66.8 Å²	66.8	54%	0.542	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-123.2	121.9	169	-62.9	-166.4	158.8	0	0	108.1	K491 G495 V496	K491-E493 WeakPolarHBondContact CE-OE1 3.49Å; K491-E493 HydrophobicContact CG-CG 4.34Å; K491-E493 IonicContact NZ-OE1 3.89Å; K491-E493 PolarHBondContact NZ-OE1 2.85Å; E493-G495 PolarHBondContact O-N 3.37Å; E493-V496 PolarHBondContact N-O 3.03Å; E493-V496 PolarHBondContact O-N 2.87Å
494	N	86.6	Confident	93	Very high	160 Å²	160	58.3 Å²	58.3	86%	0.856	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	40	-177.5	-58.7	-33.4	0	0	0	114	V496	N494-V496 VanDerWaalsContact C-N 3.31Å; N494-V496 PolarHBondContact O-N 2.8Å
495	G	89.9	Confident	93	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.01	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	2.4	-179.9	0	0	0	0	0	114.7	S446 E493	S446-G495 WeakPolarHBondContact CA-O 3.29Å; S446-G495 VanDerWaalsContact CB-O 3.23Å; S446-G495 WeakPolarHBondContact CB-O 3.47Å; S446-G495 PolarHBondContact N-O 3.27Å; E493-G495 PolarHBondContact O-N 3.37Å
496	V	94.1	Very high	93	Very high	41 Å²	41	55.2 Å²	55.2	25%	0.248	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.2	178.8	-171.7	0	0	0	0	110.9	L443 F492 E493 N494	L443-V496 HydrophobicContact CD1-CG1 3.81Å; F492-V496 WeakPolarHBondContact CA-O 3.49Å; E493-V496 PolarHBondContact N-O 3.03Å; E493-V496 PolarHBondContact O-N 2.87Å; N494-V496 VanDerWaalsContact C-N 3.31Å; N494-V496 PolarHBondContact O-N 2.8Å
497	A	96.4	Very high	92.9	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.008	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	110.5	167	0	0	0	0	0	109.5	Y442 L443 F444 V461 F492	Y442-A497 HydrophobicContact CE2-CB 4.45Å; L443-A497 CarbonylContact C-O 3.59Å; L443-A497 WeakPolarHBondContact CA-O 3.48Å; F444-A497 HydrophobicContact CB-CB 4.48Å; F444-A497 PolarHBondContact N-O 2.8Å; F444-A497 PolarHBondContact O-N 2.68Å; V461-A497 HydrophobicContact CG2-CB 3.54Å; F492-A497 HydrophobicContact CD1-CB 3.98Å; F492-A497 HydrophobicContact CD2-CB 3.73Å; F492-A497 HydrophobicContact CE1-CB 4.06Å; F492-A497 HydrophobicContact CE2-CB 3.83Å; F492-A497 HydrophobicContact CG-CB 3.82Å; F492-A497 HydrophobicContact CZ-CB 4Å
498	E	96.1	Very high	92.9	Very high	141 Å²	141	55.7 Å²	55.7	66%	0.659	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	154.6	176.7	65.3	179.7	179.1	0	0	111.3	Y442 L443	Y442-E498 VanDerWaalsContact O-CA 3.27Å; Y442-E498 WeakPolarHBondContact O-CA 3.45Å; L443-E498 HydrophobicContact CB-CB 4.33Å; L443-E498 HydrophobicContact CD1-CB 3.84Å
499	G	94.4	Very high	92.8	Very high	27 Å²	27	52.4 Å²	52.4	28%	0.278	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	172.6	167.6	178.9	0	0	0	0	0	114.1	S441 Y442	S441-G499 CarbonylContact C-O 3.58Å; S441-G499 VanDerWaalsContact CA-O 3.25Å; S441-G499 WeakPolarHBondContact CA-O 3.47Å; S441-G499 WeakPolarHBondContact CB-O 3.23Å; Y442-G499 WeakPolarHBondContact CD1-O 3.48Å; Y442-G499 PolarHBondContact N-O 3.33Å; Y442-G499 PolarHBondContact O-N 2.84Å
500	M	94.6	Very high	92.9	Very high	132 Å²	132	50.7 Å²	50.7	65%	0.65	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	142.7	172	-63.6	-66.1	-69.1	0	0	110	E440	E440-M500 HydrophobicContact CG-CE 3.75Å; E440-M500 WeakPolarHBondContact O-CA 3.34Å
501	V	92.8	Very high	93	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.03	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-88.3	127.1	172.6	-179	0	0	0	0	108.9	V439 E440 Y442 I489 P503 I508 F511	V439-V501 HydrophobicContact CB-CB 4.47Å; V439-V501 HydrophobicContact CB-CG2 4.09Å; V439-V501 HydrophobicContact CG1-CB 4.43Å; V439-V501 HydrophobicContact CG1-CG2 3.64Å; E440-V501 PolarHBondContact O-N 2.99Å; Y442-V501 HydrophobicContact CD1-CG2 3.98Å; I489-V501 HydrophobicContact CD1-CG2 4.16Å; V501-P503 WeakPolarHBondContact O-CD 3.22Å; V501-I508 HydrophobicContact CG1-CD1 4.12Å; V501-I508 HydrophobicContact CG1-CG1 4.2Å; V501-F511 HydrophobicContact CG2-CZ 3.92Å
502	D	90.4	Very high	93.1	Very high	51 Å²	51	45.9 Å²	45.9	27%	0.273	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-55.6	120.7	175.8	-175	-26.4	0	0	0	109.7	T477 S504 L505	T477-D502 PolarHBondContact OG1-OD2 3.37Å; D502-S504 PolarHBondContact O-N 3.22Å; D502-S504 WeakPolarHBondContact OD1-CB 3.47Å; D502-S504 PolarHBondContact OD1-N 3.15Å; D502-S504 PolarHBondContact OD1-OG 3.29Å; D502-S504 PolarHBondContact OD2-OG 3.26Å; D502-L505 HydrophobicContact CB-CD1 4.11Å; D502-L505 HydrophobicContact CB-CG 4.16Å; D502-L505 WeakPolarHBondContact O-CB 3.49Å; D502-L505 PolarHBondContact O-N 3.19Å
503	P	89.4	Confident	93.3	Very high	105 Å²	105	45.2 Å²	45.2	68%	0.682	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-54.8	-27.5	-179.9	-27.9	36.1	0	0	0	114	V501 L505 N506	V501-P503 WeakPolarHBondContact O-CD 3.22Å; P503-L505 PolarHBondContact O-N 3.23Å; P503-N506 WeakPolarHBondContact O-CB 3.26Å; P503-N506 PolarHBondContact O-N 3.12Å
504	S	88.8	Confident	93.5	Very high	35 Å²	35	40.7 Å²	40.7	25%	0.245	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-69	-19	177.7	65.8	0	0	0	0	113.8	L471 I473 D502	L471-S504 WeakPolarHBondContact CD2-O 3.28Å; I473-S504 WeakPolarHBondContact CG2-OG 3.36Å; D502-S504 PolarHBondContact O-N 3.22Å; D502-S504 WeakPolarHBondContact OD1-CB 3.47Å; D502-S504 PolarHBondContact OD1-N 3.15Å; D502-S504 PolarHBondContact OD1-OG 3.29Å; D502-S504 PolarHBondContact OD2-OG 3.26Å
505	L	90	Very high	94	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-86.8	-14.3	175.6	-62.5	177.5	0	0	0	112.5	V463 P465 I473 T477 F487 I489 D502 P503 I508	V463-L505 HydrophobicContact CG2-CD1 4.11Å; P465-L505 WeakPolarHBondContact CB-O 3.41Å; P465-L505 HydrophobicContact CG-CB 4.23Å; P465-L505 HydrophobicContact CG-CD2 3.92Å; I473-L505 HydrophobicContact CD1-CD2 4.14Å; I473-L505 HydrophobicContact CG2-CD2 4.37Å; T477-L505 HydrophobicContact CG2-CD1 4.11Å; T477-L505 HydrophobicContact CG2-CD2 4.05Å; T477-L505 HydrophobicContact CG2-CG 4.26Å; F487-L505 HydrophobicContact CB-CD1 4.24Å; F487-L505 HydrophobicContact CD1-CD2 4.04Å; F487-L505 HydrophobicContact CD2-CD2 4.14Å; F487-L505 HydrophobicContact CE1-CD2 4.18Å; F487-L505 HydrophobicContact CE2-CD2 4.3Å; F487-L505 HydrophobicContact CG-CD2 4Å; F487-L505 HydrophobicContact CZ-CD2 4.31Å; I489-L505 HydrophobicContact CG2-CD1 3.93Å; D502-L505 HydrophobicContact CB-CD1 4.11Å; D502-L505 HydrophobicContact CB-CG 4.16Å; D502-L505 WeakPolarHBondContact O-CB 3.49Å; D502-L505 PolarHBondContact O-N 3.19Å; P503-L505 PolarHBondContact O-N 3.23Å; L505-I508 HydrophobicContact CB-CD1 3.98Å; L505-I508 VanDerWaalsContact O-CD1 3.27Å; L505-I508 WeakPolarHBondContact O-CD1 3.36Å
506	N	90.6	Very high	94.2	Very high	30 Å²	30	36.7 Å²	36.7	16%	0.16	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-74.8	147.7	-179.7	-82.1	-62.1	0	0	0	112.1	V437 N438 V439 P503	V437-N506 PolarHBondContact O-OD1 2.94Å; N438-N506 VanDerWaalsContact CA-OD1 3.29Å; N438-N506 WeakPolarHBondContact CA-OD1 3.48Å; V439-N506 PolarHBondContact N-OD1 3.17Å; V439-N506 PolarHBondContact O-ND2 3.48Å; P503-N506 WeakPolarHBondContact O-CB 3.26Å; P503-N506 PolarHBondContact O-N 3.12Å
507	P	93	Very high	94.2	Very high	35 Å²	35	40 Å²	40	23%	0.227	22%	0.221	C	C	.	.	S	Bend	cis	-79.9	147.1	-2.2	28.8	-31	0	0	0	113.2	P436 N438 F466	P436-P507 HydrophobicContact CB-CB 3.77Å; P436-P507 HydrophobicContact CB-CG 4.03Å; N438-P507 WeakPolarHBondContact OD1-CA 3.44Å; N438-P507 WeakPolarHBondContact OD1-CB 3.35Å; F466-P507 HydrophobicContact CB-CG 4.1Å; F466-P507 WeakPolarHBondContact CB-O 3.42Å; F466-P507 HydrophobicContact CD1-CG 4.46Å; F466-P507 PolarHBondContact N-O 2.66Å
508	I	94.6	Very high	94	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	135.1	-179.5	-53.4	-59.3	0	0	0	110.9	F433 P436 V437 V439 V463 V501 L505 A510 F511	F433-I508 HydrophobicContact CD2-CG2 4.47Å; F433-I508 WeakPolarHBondContact CD2-O 3.29Å; F433-I508 HydrophobicContact CE2-CB 4.32Å; F433-I508 HydrophobicContact CE2-CG2 3.98Å; P436-I508 CarbonylContact C-O 3.6Å; P436-I508 VanDerWaalsContact CA-O 3.3Å; P436-I508 WeakPolarHBondContact CA-O 3.03Å; V437-I508 PolarHBondContact N-O 2.98Å; V437-I508 PolarHBondContact O-N 3.45Å; V439-I508 HydrophobicContact CB-CG1 4.47Å; V439-I508 HydrophobicContact CG2-CB 4.39Å; V439-I508 HydrophobicContact CG2-CG1 4.33Å; V463-I508 HydrophobicContact CB-CD1 4.09Å; V463-I508 HydrophobicContact CB-CG2 4.01Å; V463-I508 HydrophobicContact CG1-CG2 4.22Å; V463-I508 HydrophobicContact CG2-CD1 4.08Å; V501-I508 HydrophobicContact CG1-CD1 4.12Å; V501-I508 HydrophobicContact CG1-CG1 4.2Å; L505-I508 HydrophobicContact CB-CD1 3.98Å; L505-I508 VanDerWaalsContact O-CD1 3.27Å; L505-I508 WeakPolarHBondContact O-CD1 3.36Å; I508-A510 VanDerWaalsContact CG2-O 3.28Å; I508-A510 WeakPolarHBondContact CG2-O 3.4Å; I508-F511 HydrophobicContact CG2-CD2 4.02Å; I508-F511 HydrophobicContact CG2-CE2 4Å
509	S	94.4	Very high	93.8	Very high	27 Å²	27	39.4 Å²	39.4	19%	0.189	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-35.9	174.2	-57.8	0	0	0	0	113	F433 L464 F466	F433-S509 WeakPolarHBondContact CD2-O 3.17Å; F433-S509 PolarHBondContact N-O 2.63Å; L464-S509 WeakPolarHBondContact O-CB 3.35Å; L464-S509 PolarHBondContact O-N 3.32Å; F466-S509 WeakPolarHBondContact CA-OG 3.45Å; F466-S509 WeakPolarHBondContact CB-OG 3.18Å; F466-S509 PolarHBondContact N-OG 2.69Å
510	A	96.5	Very high	93.5	Very high	3 Å²	3	42.9 Å²	42.9	3%	0.025	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	151.8	179.6	0	0	0	0	0	112.8	L430 F431 K432 V463 L464 Y486 I508	L430-A510 HydrophobicContact CD1-CB 4.12Å; F431-A510 CarbonylContact O-C 3.55Å; F431-A510 WeakPolarHBondContact O-CA 3.33Å; F431-A510 WeakPolarHBondContact O-CB 3.31Å; K432-A510 HydrophobicContact CB-CB 4.48Å; V463-A510 WeakPolarHBondContact CA-O 3.41Å; L464-A510 HydrophobicContact CB-CB 4.26Å; L464-A510 PolarHBondContact N-O 3.49Å; L464-A510 PolarHBondContact O-N 2.9Å; Y486-A510 HydrophobicContact CE1-CB 4.48Å; I508-A510 VanDerWaalsContact CG2-O 3.28Å; I508-A510 WeakPolarHBondContact CG2-O 3.4Å
511	F	97.6	Very high	93.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	140.6	163.2	-91.6	-105.3	0	0	0	109.6	F431 F433 V439 Y442 F444 V461 E462 V463 I489 V501 I508 I530	F431-F511 HydrophobicContact CB-CB 4.18Å; F431-F511 HydrophobicContact CD2-CB 3.92Å; F431-F511 PolarHBondContact N-O 2.91Å; F431-F511 PolarHBondContact O-N 3.33Å; F433-F511 AromaticContact CE2-CD2 3.79Å; F433-F511 HydrophobicContact CE2-CD2 3.79Å; F433-F511 HydrophobicContact CE2-CE2 4.24Å; F433-F511 AromaticContact CZ-CD2 3.74Å; F433-F511 HydrophobicContact CZ-CD2 3.74Å; F433-F511 HydrophobicContact CZ-CE2 4.24Å; V439-F511 HydrophobicContact CB-CE2 4.48Å; V439-F511 HydrophobicContact CG1-CE2 4.19Å; V439-F511 HydrophobicContact CG1-CZ 4.11Å; V439-F511 HydrophobicContact CG2-CE2 4.14Å; Y442-F511 AromaticContact CD1-CE1 3.9Å; Y442-F511 HydrophobicContact CD1-CE1 3.9Å; Y442-F511 HydrophobicContact CD1-CZ 4.26Å; Y442-F511 AromaticContact CG-CE1 3.83Å; Y442-F511 HydrophobicContact CG-CE1 3.83Å; Y442-F511 HydrophobicContact CG-CZ 4.41Å; F444-F511 AromaticContact CE2-CD1 3.91Å; F444-F511 HydrophobicContact CE2-CD1 3.91Å; F444-F511 HydrophobicContact CE2-CE1 4.21Å; F444-F511 AromaticContact CZ-CD1 3.85Å; F444-F511 HydrophobicContact CZ-CD1 3.85Å; F444-F511 HydrophobicContact CZ-CE1 4.43Å; F444-F511 HydrophobicContact CZ-CG 4.45Å; V461-F511 HydrophobicContact CG1-CD1 3.91Å; V461-F511 HydrophobicContact CG1-CE1 4.02Å; E462-F511 CarbonylContact O-C 3.25Å; E462-F511 WeakPolarHBondContact O-CA 3.5Å; V463-F511 HydrophobicContact CG1-CD1 3.64Å; V463-F511 HydrophobicContact CG1-CD2 3.82Å; V463-F511 HydrophobicContact CG1-CE1 3.45Å; V463-F511 VanDerWaalsContact CG1-CE1 3.45Å; V463-F511 HydrophobicContact CG1-CE2 3.62Å; V463-F511 HydrophobicContact CG1-CG 3.83Å; V463-F511 HydrophobicContact CG1-CZ 3.43Å; V463-F511 VanDerWaalsContact CG1-CZ 3.43Å; I489-F511 HydrophobicContact CD1-CE1 3.92Å; I489-F511 HydrophobicContact CD1-CZ 4.26Å; V501-F511 HydrophobicContact CG2-CZ 3.92Å; I508-F511 HydrophobicContact CG2-CD2 4.02Å; I508-F511 HydrophobicContact CG2-CE2 4Å; F511-I530 HydrophobicContact CB-CD1 4.5Å; F511-I530 HydrophobicContact CD2-CD1 4.2Å; F511-I530 HydrophobicContact CE2-CG2 4.18Å; F511-I530 HydrophobicContact CG-CD1 4.26Å
512	R	97.9	Very high	93.3	Very high	39 Å²	39	42.7 Å²	42.7	15%	0.147	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	128.7	173.8	-176.1	173.1	65.5	-165.8	-1.2	110.3	I429 L430 E462 D484 Y486	I429-R512 CarbonylContact O-C 3.52Å; I429-R512 WeakPolarHBondContact O-CA 3.49Å; L430-R512 HydrophobicContact CD1-CB 4.11Å; L430-R512 HydrophobicContact CD1-CG 4.5Å; E462-R512 HydrophobicContact CB-CB 4.37Å; E462-R512 WeakPolarHBondContact CB-O 3.47Å; E462-R512 PolarHBondContact N-O 2.8Å; E462-R512 PolarHBondContact O-N 3.12Å; E462-R512 IonicContact OE2-CZ 3.19Å; E462-R512 IonicContact OE2-NE 2.82Å; E462-R512 PolarHBondContact OE2-NE 3.24Å; E462-R512 IonicContact OE2-NH2 2.73Å; E462-R512 PolarHBondContact OE2-NH2 3.43Å; D484-R512 IonicContact OD1-NH2 3.49Å; D484-R512 PolarHBondContact OD1-NH2 3.14Å; D484-R512 IonicContact OD2-CZ 3.14Å; D484-R512 IonicContact OD2-NH1 2.7Å; D484-R512 PolarHBondContact OD2-NH1 3.49Å; D484-R512 IonicContact OD2-NH2 2.71Å; D484-R512 PolarHBondContact OD2-NH2 2.92Å; Y486-R512 HydrophobicContact CD1-CB 4.08Å; Y486-R512 HydrophobicContact CE1-CB 3.64Å
513	L	98	Very high	93.5	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	121	165.4	-44.8	-179	0	0	0	107.2	Y428 I429 F431 F444 L456 T459 T460 V461 F492 L525	Y428-L513 CarbonylContact C-O 3.56Å; Y428-L513 VanDerWaalsContact CA-O 3.23Å; Y428-L513 WeakPolarHBondContact CA-O 3.22Å; I429-L513 HydrophobicContact CB-CB 4.09Å; I429-L513 HydrophobicContact CB-CD1 4.26Å; I429-L513 HydrophobicContact CB-CG 4.28Å; I429-L513 HydrophobicContact CD1-CD1 4.27Å; I429-L513 HydrophobicContact CG2-CD1 4.38Å; I429-L513 PolarHBondContact N-O 2.84Å; I429-L513 PolarHBondContact O-N 2.83Å; F431-L513 HydrophobicContact CE2-CD1 4.15Å; F431-L513 HydrophobicContact CE2-CG 4.09Å; F444-L513 HydrophobicContact CD1-CD1 4.16Å; F444-L513 HydrophobicContact CD1-CD2 4.42Å; F444-L513 HydrophobicContact CD2-CD2 3.85Å; F444-L513 HydrophobicContact CE1-CD2 4.37Å; F444-L513 HydrophobicContact CE2-CD2 3.83Å; F444-L513 HydrophobicContact CG-CD1 4.31Å; F444-L513 HydrophobicContact CG-CD2 4.16Å; F444-L513 HydrophobicContact CZ-CD2 4.1Å; L456-L513 HydrophobicContact CD1-CD1 4.46Å; T459-L513 HydrophobicContact CG2-CB 3.95Å; T460-L513 CarbonylContact O-C 3.54Å; T460-L513 VanDerWaalsContact O-CA 3.28Å; T460-L513 WeakPolarHBondContact O-CA 3.29Å; V461-L513 HydrophobicContact CB-CD2 4.36Å; V461-L513 HydrophobicContact CG1-CD2 4.16Å; V461-L513 HydrophobicContact CG2-CD2 3.93Å; F492-L513 HydrophobicContact CE2-CD1 4.07Å; F492-L513 HydrophobicContact CE2-CD2 4.15Å; F492-L513 HydrophobicContact CZ-CD1 4.04Å; L513-L525 HydrophobicContact CD1-CD1 4.49Å; L513-L525 HydrophobicContact CD1-CD2 4.17Å
514	S	97.2	Very high	93.7	Very high	21 Å²	21	35.3 Å²	35.3	15%	0.147	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.3	-172.4	-176	0	0	0	0	110.7	T459 T460 E462 I516	T459-S514 CarbonylContact C-O 3.59Å; T459-S514 WeakPolarHBondContact CA-O 3.32Å; T460-S514 PolarHBondContact N-O 3.43Å; T460-S514 PolarHBondContact O-N 2.64Å; E462-S514 WeakPolarHBondContact OE1-CB 3.46Å; S514-I516 PolarHBondContact O-N 3.27Å
515	V	96.6	Very high	94	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.024	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	113.9	-179.1	-179.1	0	0	0	0	109	P423 I424 G426 D427 T459 Q517	P423-V515 HydrophobicContact CB-CG1 4.05Å; P423-V515 HydrophobicContact CB-CG2 4.09Å; I424-V515 WeakPolarHBondContact O-CG1 3.4Å; G426-V515 PolarHBondContact N-O 2.73Å; D427-V515 HydrophobicContact CB-CB 4.13Å; D427-V515 HydrophobicContact CB-CG2 3.97Å; D427-V515 WeakPolarHBondContact O-CB 3.45Å; D427-V515 WeakPolarHBondContact O-CG2 3.47Å; D427-V515 PolarHBondContact O-N 3.12Å; T459-V515 HydrophobicContact CG2-CG2 4.36Å; V515-Q517 WeakPolarHBondContact CG1-O 3.22Å
516	I	94.8	Very high	93.9	Very high	72 Å²	72	34.2 Å²	34.2	37%	0.369	19%	0.192	S	C	.	.			trans	-86.4	-28	-173.4	-52.6	-58.2	0	0	0	112	N458 T460 S514	N458-I516 VanDerWaalsContact O-CB 3.31Å; N458-I516 WeakPolarHBondContact O-CB 3.32Å; N458-I516 WeakPolarHBondContact O-CG1 3.31Å; N458-I516 PolarHBondContact O-N 3Å; T460-I516 HydrophobicContact CG2-CD1 4.14Å; T460-I516 HydrophobicContact CG2-CG1 3.73Å; S514-I516 PolarHBondContact O-N 3.27Å
517	Q	93.6	Very high	93.9	Very high	110 Å²	110	33.3 Å²	33.3	51%	0.514	19%	0.187	S	C	.	.	S	Bend	trans	-139	154.8	-176.9	-62.4	-177	14.2	0	0	111.1	N458 V515 S519	N458-Q517 HydrophobicContact CB-CB 4.05Å; N458-Q517 HydrophobicContact CB-CG 4.38Å; N458-Q517 PolarHBondContact ND2-OE1 3.03Å; V515-Q517 WeakPolarHBondContact CG1-O 3.22Å; Q517-S519 PolarHBondContact O-N 2.84Å
518	N	92.9	Very high	93.8	Very high	115 Å²	115	31.9 Å²	31.9	62%	0.615	18%	0.178	S	C	*	.			trans	-58.5	134	174.7	-63.4	-7.6	0	0	0	110.5	A425	A425-N518 WeakPolarHBondContact CB-OD1 3.34Å; A425-N518 PolarHBondContact N-OD1 3.32Å
519	S	91.3	Very high	93.7	Very high	16 Å²	16	34.4 Å²	34.4	11%	0.112	19%	0.189	C	C	.	.			trans	-86.9	152.6	172.6	-173.3	0	0	0	0	110.8	T422 P423 Q517 V521	T422-S519 WeakPolarHBondContact CG2-O 3.22Å; P423-S519 PolarHBondContact O-N 2.83Å; Q517-S519 PolarHBondContact O-N 2.84Å; S519-V521 WeakPolarHBondContact OG-CG2 3.26Å; S519-V521 PolarHBondContact OG-N 3.09Å; S519-V521 VanDerWaalsContact OG-N 3.13Å; S519-V521 PolarHBondContact OG-O 3.45Å
520	A	88.2	Confident	93.5	Very high	100 Å²	100	33.1 Å²	33.1	83%	0.826	18%	0.18	S	C	*	.	S	Bend	trans	-93.9	-10.7	168.5	0	0	0	0	0	112.5
521	V	90.9	Very high	93	Very high	47 Å²	47	37 Å²	37	29%	0.285	20%	0.196	S	C	.	.	S	Bend	trans	-122.5	160.6	-175	-63.6	0	0	0	0	110.7	P423 G453 L457 S519	P423-V521 WeakPolarHBondContact CD-O 3.34Å; G453-V521 WeakPolarHBondContact O-CG2 3.47Å; L457-V521 HydrophobicContact CD1-CG2 4.08Å; S519-V521 WeakPolarHBondContact OG-CG2 3.26Å; S519-V521 PolarHBondContact OG-N 3.09Å; S519-V521 VanDerWaalsContact OG-N 3.13Å; S519-V521 PolarHBondContact OG-O 3.45Å
522	W	93.4	Very high	92.3	Very high	86 Å²	86	42 Å²	42	33%	0.326	22%	0.219	S	C	.	.			trans	-68.8	168.8	170.6	-70.2	9.9	0	0	0	110.4	Y403 W419 A420 T422 D454 I455	Y403-W522 AromaticContact CD1-CZ3 3.91Å; Y403-W522 HydrophobicContact CD1-CZ3 3.91Å; Y403-W522 AromaticContact CD2-CH2 3.96Å; Y403-W522 HydrophobicContact CD2-CH2 3.96Å; Y403-W522 AromaticContact CD2-CZ3 3.93Å; Y403-W522 HydrophobicContact CD2-CZ3 3.93Å; Y403-W522 HydrophobicContact CE1-CH2 4.37Å; Y403-W522 AromaticContact CE1-CZ3 3.75Å; Y403-W522 HydrophobicContact CE1-CZ3 3.75Å; Y403-W522 AromaticContact CE2-CH2 3.62Å; Y403-W522 HydrophobicContact CE2-CH2 3.62Å; Y403-W522 AromaticContact CE2-CZ3 3.79Å; Y403-W522 HydrophobicContact CE2-CZ3 3.79Å; Y403-W522 HydrophobicContact CG-CH2 4.47Å; Y403-W522 AromaticContact CG-CZ3 3.98Å; Y403-W522 HydrophobicContact CG-CZ3 3.98Å; Y403-W522 AromaticContact CZ-CH2 3.82Å; Y403-W522 AromaticContact CZ-CZ3 3.67Å; W419-W522 AromaticContact CE2-CE3 3.8Å; W419-W522 AromaticContact CZ2-CE3 3.84Å; W419-W522 HydrophobicContact CZ2-CE3 3.84Å; W419-W522 AromaticContact CZ2-CZ3 3.97Å; W419-W522 HydrophobicContact CZ2-CZ3 3.97Å; W419-W522 AromaticContact NE1-CE3 3.59Å; A420-W522 WeakPolarHBondContact O-CB 3.41Å; T422-W522 VanDerWaalsContact OG1-CD1 3.23Å; D454-W522 CarbonylContact C-O 3.55Å; D454-W522 VanDerWaalsContact C-O 3.27Å; D454-W522 WeakPolarHBondContact CA-O 3.46Å; D454-W522 HydrophobicContact CB-CB 4.36Å; I455-W522 PolarHBondContact N-O 3.25Å
523	A	93.9	Very high	91.5	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.1	-176.4	0	0	0	0	0	111.5	L400 A420 P423 L456	L400-A523 HydrophobicContact CD2-CB 4.41Å; A420-A523 PolarHBondContact N-O 2.89Å; A420-A523 PolarHBondContact O-N 2.84Å; P423-A523 HydrophobicContact CG-CB 3.53Å; L456-A523 HydrophobicContact CD2-CB 3.61Å; L456-A523 HydrophobicContact CG-CB 4.09Å
524	I	93.9	Very high	90	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.8	168	-71	173.4	0	0	0	109.4	F417 F418 W419 S446 G447 N448 H451 D454 N526	F417-I524 HydrophobicContact CB-CG2 4.39Å; F417-I524 HydrophobicContact CD2-CD1 4.33Å; F417-I524 HydrophobicContact CD2-CG1 4.18Å; F417-I524 HydrophobicContact CD2-CG2 3.72Å; F417-I524 HydrophobicContact CE2-CD1 3.98Å; F417-I524 HydrophobicContact CE2-CG1 4.15Å; F417-I524 HydrophobicContact CE2-CG2 4.42Å; F417-I524 HydrophobicContact CG-CG2 4.36Å; F418-I524 CarbonylContact O-C 3.52Å; F418-I524 WeakPolarHBondContact O-CA 3.13Å; W419-I524 HydrophobicContact CB-CG1 4.3Å; W419-I524 HydrophobicContact CD2-CD1 4.31Å; W419-I524 HydrophobicContact CD2-CG1 4.31Å; W419-I524 HydrophobicContact CG-CD1 4.25Å; W419-I524 HydrophobicContact CG-CG1 3.74Å; S446-I524 CarbonylContact C-O 3.57Å; S446-I524 WeakPolarHBondContact CA-O 3.25Å; S446-I524 VanDerWaalsContact CB-O 3.25Å; S446-I524 WeakPolarHBondContact CB-O 3.42Å; S446-I524 PolarHBondContact OG-O 3.14Å; G447-I524 PolarHBondContact N-O 3.24Å; N448-I524 HydrophobicContact CB-CG2 4.45Å; H451-I524 HydrophobicContact CB-CD1 3.64Å; D454-I524 HydrophobicContact CB-CB 4.37Å; D454-I524 HydrophobicContact CB-CD1 3.75Å; D454-I524 HydrophobicContact CB-CG1 3.83Å; D454-I524 WeakPolarHBondContact O-CB 3.3Å; D454-I524 PolarHBondContact O-N 2.7Å; I524-N526 HydrophobicContact CG2-CB 3.93Å
525	L	93.7	Very high	87.6	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	116.3	164.6	-178.8	70.2	0	0	0	108.2	L408 T411 F418 I429 F431 F444 L456 F492 L513 I528	L408-L525 HydrophobicContact CD1-CD2 4.25Å; T411-L525 WeakPolarHBondContact CG2-O 2.92Å; F418-L525 HydrophobicContact CB-CB 4.09Å; F418-L525 HydrophobicContact CD1-CB 4.08Å; F418-L525 PolarHBondContact N-O 3.13Å; F418-L525 PolarHBondContact O-N 3.03Å; I429-L525 HydrophobicContact CD1-CD2 4.21Å; F431-L525 HydrophobicContact CZ-CD2 4.14Å; F444-L525 HydrophobicContact CB-CD1 4.13Å; L456-L525 HydrophobicContact CD1-CD1 4.42Å; F492-L525 HydrophobicContact CZ-CD1 4.47Å; L513-L525 HydrophobicContact CD1-CD1 4.49Å; L513-L525 HydrophobicContact CD1-CD2 4.17Å; L525-I528 HydrophobicContact CD2-CD1 3.73Å; L525-I528 HydrophobicContact CD2-CG1 3.82Å; L525-I528 HydrophobicContact CG-CD1 4.32Å; L525-I528 HydrophobicContact CG-CG1 4.03Å
526	N	88.7	Confident	87.2	Confident	11 Å²	11	62.8 Å²	62.8	6%	0.059	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	-16.9	-162.5	-173.4	70	0	0	0	113.6	L385 L386 H445 G447 N448 I524	L385-N526 VanDerWaalsContact O-CG 3.31Å; L385-N526 PolarHBondContact O-ND2 2.99Å; L385-N526 PolarHBondContact O-OD1 3.4Å; L386-N526 VanDerWaalsContact CD1-O 3.29Å; L386-N526 WeakPolarHBondContact CD1-O 3.21Å; H445-N526 PolarHBondContact O-N 3.39Å; G447-N526 WeakPolarHBondContact O-CB 2.97Å; N448-N526 HydrophobicContact CB-CB 4.49Å; I524-N526 HydrophobicContact CG2-CB 3.93Å
527	E	89.8	Confident	86.8	Confident	11 Å²	11	62.3 Å²	62.3	5%	0.051	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	131.8	171.9	-167.7	171.2	-172.6	0	0	108.7	K387 H389 L443 F444 H445	K387-E527 HydrophobicContact CB-CG 3.82Å; K387-E527 WeakPolarHBondContact CB-OE1 3.43Å; K387-E527 VanDerWaalsContact CD-CD 3.49Å; K387-E527 VanDerWaalsContact CD-OE1 3.24Å; K387-E527 WeakPolarHBondContact CD-OE1 3.32Å; K387-E527 WeakPolarHBondContact CD-OE2 3.47Å; K387-E527 IonicContact NZ-OE2 2.81Å; H389-E527 IonicContact CD2-OE1 2.68Å; H389-E527 IonicContact CE1-OE1 3.69Å; H389-E527 IonicContact NE2-OE1 2.9Å; H389-E527 PolarHBondContact NE2-OE1 3.03Å; L443-E527 HydrophobicContact CD2-CG 4.43Å; F444-E527 WeakPolarHBondContact CA-O 3.35Å; H445-E527 HydrophobicContact CB-CB 3.49Å; H445-E527 VanDerWaalsContact CB-CB 3.49Å; H445-E527 PolarHBondContact N-O 3.32Å; H445-E527 PolarHBondContact O-N 3.13Å; H445-E527 VanDerWaalsContact O-N 3.14Å
528	I	92.3	Very high	86.4	Confident	5 Å²	5	59.6 Å²	59.6	3%	0.026	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	119.1	172.1	-57.6	170.3	0	0	0	106.7	N391 L408 T411 Y412 F431 F444 L525 I530	N391-I528 PolarHBondContact ND2-O 3.09Å; N391-I528 PolarHBondContact OD1-O 2.99Å; L408-I528 HydrophobicContact CD1-CD1 4.48Å; T411-I528 HydrophobicContact CG2-CD1 3.72Å; T411-I528 HydrophobicContact CG2-CG1 4.24Å; Y412-I528 HydrophobicContact CD2-CD1 4.07Å; Y412-I528 HydrophobicContact CD2-CG2 4.04Å; Y412-I528 HydrophobicContact CE2-CG2 3.94Å; F431-I528 HydrophobicContact CE1-CD1 3.72Å; F431-I528 HydrophobicContact CE1-CG2 4.5Å; F431-I528 HydrophobicContact CZ-CD1 3.84Å; F431-I528 HydrophobicContact CZ-CG1 4.47Å; F444-I528 HydrophobicContact CD1-CB 4.49Å; F444-I528 HydrophobicContact CD1-CG1 4.29Å; F444-I528 HydrophobicContact CD1-CG2 4.1Å; F444-I528 HydrophobicContact CE1-CG2 3.76Å; L525-I528 HydrophobicContact CD2-CD1 3.73Å; L525-I528 HydrophobicContact CD2-CG1 3.82Å; L525-I528 HydrophobicContact CG-CD1 4.32Å; L525-I528 HydrophobicContact CG-CG1 4.03Å; I528-I530 HydrophobicContact CG2-CG1 4.46Å
529	H	91.8	Very high	86	Confident	53 Å²	53	56.4 Å²	56.4	25%	0.245	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	113.1	174.1	-168.1	164.4	0	0	0	109.3	H389 N391 Y442 L443	H389-H529 HydrophobicContact CB-CB 4.06Å; H389-H529 AromaticContact CD2-CG 3.75Å; H389-H529 AromaticContact CD2-ND1 3.69Å; H389-H529 AromaticContact CE1-CE1 3.81Å; H389-H529 AromaticContact CE1-ND1 3.21Å; H389-H529 PolarHBondContact CE1-ND1 2.98Å; H389-H529 AromaticContact CG-CE1 3.83Å; H389-H529 AromaticContact CG-CG 3.43Å; H389-H529 VanDerWaalsContact CG-CG 3.43Å; H389-H529 AromaticContact CG-ND1 3.3Å; H389-H529 VanDerWaalsContact CG-ND1 3.3Å; H389-H529 AromaticContact ND1-CE1 3.28Å; H389-H529 PolarHBondContact ND1-CE1 2.67Å; H389-H529 VanDerWaalsContact ND1-CE1 3.28Å; H389-H529 AromaticContact ND1-CG 3.67Å; H389-H529 AromaticContact ND1-ND1 3Å; H389-H529 PolarHBondContact ND1-ND1 3.35Å; H389-H529 AromaticContact NE2-ND1 3.6Å; N391-H529 WeakPolarHBondContact OD1-CA 3.31Å; Y442-H529 CarbonylContact C-O 3.58Å; Y442-H529 VanDerWaalsContact CA-O 3.28Å; Y442-H529 WeakPolarHBondContact CA-O 3.49Å; L443-H529 HydrophobicContact CB-CB 4.16Å; L443-H529 PolarHBondContact N-O 3.24Å; L443-H529 PolarHBondContact O-N 2.94Å
530	I	90.9	Very high	85.7	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	102.8	171.8	-58.1	175.5	0	0	0	107.5	N391 P392 Y412 F433 V439 F444 F511 I528	N391-I530 PolarHBondContact OD1-N 3.15Å; P392-I530 WeakPolarHBondContact CD-O 3.4Å; P392-I530 HydrophobicContact CG-CB 4.38Å; P392-I530 HydrophobicContact CG-CG2 4.11Å; Y412-I530 HydrophobicContact CE2-CD1 4.47Å; F433-I530 HydrophobicContact CE1-CD1 4.14Å; F433-I530 HydrophobicContact CZ-CD1 3.91Å; F433-I530 HydrophobicContact CZ-CG2 3.97Å; V439-I530 HydrophobicContact CB-CG2 4.47Å; V439-I530 HydrophobicContact CG1-CG2 3.68Å; V439-I530 HydrophobicContact CG2-CG2 3.86Å; F444-I530 HydrophobicContact CZ-CD1 4.21Å; F444-I530 HydrophobicContact CZ-CG1 4.21Å; F511-I530 HydrophobicContact CB-CD1 4.5Å; F511-I530 HydrophobicContact CD2-CD1 4.2Å; F511-I530 HydrophobicContact CE2-CG2 4.18Å; F511-I530 HydrophobicContact CG-CD1 4.26Å; I528-I530 HydrophobicContact CG2-CG1 4.46Å
531	K	86.6	Confident	85.5	Confident	83 Å²	83	56.1 Å²	56.1	36%	0.361	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	123.9	-174.4	-168.5	-174.6	176	-151	0	110.4	V439 E440 S441	V439-K531 WeakPolarHBondContact CA-O 3.41Å; V439-K531 WeakPolarHBondContact CG1-O 3.4Å; E440-K531 PolarHBondContact N-O 2.67Å; E440-K531 IonicContact OE1-NZ 2.81Å; E440-K531 PolarHBondContact OE1-NZ 3.34Å; E440-K531 WeakPolarHBondContact OE2-CD 3.43Å; E440-K531 WeakPolarHBondContact OE2-CE 3.44Å; E440-K531 IonicContact OE2-NZ 2.98Å; E440-K531 PolarHBondContact OE2-NZ 2.87Å; S441-K531 PolarHBondContact O-N 3.09Å
532	K	81.4	Confident	85.1	Confident	107 Å²	107	56.8 Å²	56.8	47%	0.465	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	139.7	173.7	-61.8	-176.2	-178.5	169.9	0	110.2	P392 V437 N438 T534	P392-K532 VanDerWaalsContact CB-CE 3.47Å; P392-K532 HydrophobicContact CG-CD 4.47Å; P392-K532 HydrophobicContact CG-CG 4.02Å; V437-K532 HydrophobicContact CG1-CD 4.15Å; V437-K532 HydrophobicContact CG1-CG 3.73Å; N438-K532 CarbonylContact O-C 3.52Å; N438-K532 WeakPolarHBondContact O-CA 3.42Å; K532-T534 PolarHBondContact O-N 3.15Å
533	A	81.1	Confident	84.5	Confident	42 Å²	42	54.5 Å²	54.5	35%	0.347	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-65.3	124.2	169	0	0	0	0	0	109.8	N438 E440 K535	N438-A533 HydrophobicContact CB-CB 4.14Å; N438-A533 PolarHBondContact O-N 3.14Å; E440-A533 HydrophobicContact CB-CB 4.15Å; A533-K535 PolarHBondContact O-N 3.43Å
534	T	67.4	Low	83.7	Confident	126 Å²	126	59 Å²	59	77%	0.773	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-66.8	129.2	168.9	38.9	0	0	0	0	109.1	K532	K532-T534 PolarHBondContact O-N 3.15Å
535	K	47	Very low	82.8	Confident	269 Å²	269	64.4 Å²	64.4	100%	1.17	32%	0.318	S	S	*	.			trans	-64	0	174.3	-90.4	-171.6	174.9	-175.7	0	112.1	A533	A533-K535 PolarHBondContact O-N 3.43Å

Retrieved 535 of 535 residues in 1028.2 ms (Link to these results)

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