X5D2P6_HUMAN Loading...

Neuroligin 3 isoform 1

AlphaFold DB , UniProt , Accession X5D2P6, Species HUMAN (Homo sapiens, Human), Gene NLGN3, Length 828 aa.

						>X5D2P6_HUMAN|X5D2P6|NLGN3
MWLRLGPPSLSLSPKPTVGRSLCLTLWFLSLALRASTQAPAPTVNTHFGKLRGARVPLPSEILGPVDQYLGVPYAAPPIGEKRFLPPEPPPSWSGIRNATHFPPVCPQNIHTAVPEVMLPVWFTANLDIVATYIQEPNEDCLYLNVYVPTEDGSGAKKQGEDLADNDGDEDEDIRDSGAKPVMVYIHGGSYMEGTGNMIDGSILASYGNVIVITLNYRVGVLGFLSTGDQAAKGNYGLLDQIQALRWVSENIAFFGGDPRRITVFGSGIGASCVSLLTLSHHSEGLFQRAIIQSGSALSSWAVNYQPVKYTSLLADKVGCNVLDTVDMVDCLRQKSAKELVEQDIQPARYHVAFGPVIDGDVIPDDPEILMEQGEFLNYDIMLGVNQGEGLKFVEGVVDPEDGVSGTDFDYSVSNFVDNLYGYPEGKDTLRETIKFMYTDWADRDNPETRRKTLVALFTDHQWVEPSVVTADLHARYGSPTYFYAFYHHCQSLMKPAWSDAAHGDEVPYVFGVPMVGPTDLFPCNFSKNDVMLSAVVMTYWTNFAKTGDPNKPVPQDTKFIHTKANRFEEVAWSKYNPRDQLYLHIGLKPRVRDHYRATKVAFWKHLVPHLYNLHDMFHYTSTTTKVPPPDTTHSSHITRRPNGKTWSTKRPAISPAYSNENAQGSWNGDQDAGPLLVENPRDYSTELSVTIAVGASLLFLNVLAFAALYYRKDKRRQEPLRQPSPQRGAGAPELGAAPEEELAALQLGPTHHECEAGPPHDTLRLTALPDYTLTLRRSPDDIPLMTPNTITMIPNSLVGLQTLHPYNTFAAGFNSTGLPHSHSTTRV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	31.6	Very low	36.7	Very low	236 Å²	236	149.5 Å²	149.5	100%	1.163	81%	0.81	S	S	*	*				0	107.8	0	-179.8	170.5	167.1	0	0	108.2
2	W	32.4	Very low	36.5	Very low	232 Å²	232	152.4 Å²	152.4	88%	0.879	82%	0.823	S	S	*	*			trans	56	116.6	160.8	-78.2	46.9	0	0	0	121.8
3	L	36.2	Very low	36.2	Very low	132 Å²	132	149.3 Å²	149.3	69%	0.691	82%	0.82	S	S	*	*			trans	65.9	122.1	136.9	-88	147.6	0	0	0	120.1
4	R	35	Very low	37.1	Very low	211 Å²	211	146.9 Å²	146.9	80%	0.796	82%	0.815	S	S	*	*				-175.7	152.8	66	-108.7	171.5	-179.5	-157.2	-0.1	113.3
5	L	34.7	Very low	37.1	Very low	156 Å²	156	150.7 Å²	150.7	82%	0.817	82%	0.82	S	S	*	*			trans	45.6	124.9	142	-59.5	161.3	0	0	0	121.5
6	G	32.5	Very low	37.7	Very low	72 Å²	72	148.2 Å²	148.2	74%	0.742	81%	0.814	S	S	*	*			trans	-104.7	-150.1	159.9	0	0	0	0	0	111.8
7	P	58.7	Low	38.5	Very low	126 Å²	126	145.8 Å²	145.8	82%	0.818	81%	0.805	S	S	*	*			cis	-112.8	-165.8	-19.9	41.5	-26.8	0	0	0	111
8	P	45.6	Very low	39.2	Very low	111 Å²	111	144.2 Å²	144.2	72%	0.721	80%	0.799	S	S	*	*				-162.4	-173	87.4	43	-21.4	0	0	0	118
9	S	31.4	Very low	39.7	Very low	108 Å²	108	139.4 Å²	139.4	76%	0.755	79%	0.786	S	S	*	*			trans	76.5	157.6	157.6	82.9	0	0	0	0	118.2
10	L	33.3	Very low	40.3	Very low	164 Å²	164	142 Å²	142	86%	0.859	78%	0.783	S	S	*	*			cis	-156.8	175.2	-2.4	-129.3	161.7	0	0	0	109.8
11	S	32.6	Very low	41	Very low	96 Å²	96	138.9 Å²	138.9	67%	0.671	77%	0.771	S	S	*	*			trans	-100.7	155.8	-169.8	57.7	0	0	0	0	116.2
12	L	34.3	Very low	42.1	Very low	185 Å²	185	133.3 Å²	133.3	97%	0.969	75%	0.745	S	S	*	*			trans	-137.2	155.8	160.9	-109.5	102.6	0	0	0	113.2
13	S	32.8	Very low	43.4	Very low	112 Å²	112	126.6 Å²	126.6	78%	0.783	73%	0.733	S	S	*	*			trans	-96.3	150.4	-167.1	179.5	0	0	0	0	114.6
14	P	48.3	Very low	44.7	Very low	115 Å²	115	125 Å²	125	75%	0.747	73%	0.725	S	S	*	*			trans	-109.9	145.8	-176.6	39	-31.8	0	0	0	116.1
15	K	37.9	Very low	46.2	Very low	205 Å²	205	118.7 Å²	118.7	89%	0.891	71%	0.709	S	S	*	*			trans	-157	155	153.5	-73.7	-165.7	-179.3	179.6	0	109.9
16	P	46.5	Very low	47.6	Very low	110 Å²	110	116.4 Å²	116.4	71%	0.714	70%	0.697	S	S	*	*			cis	-123.5	148.6	-32	36.5	-22.7	0	0	0	112.8	V18	P16-V18 PolarHBondContact O-N 3.11Å
17	T	51.4	Low	49.2	Very low	108 Å²	108	120.8 Å²	120.8	66%	0.663	69%	0.692	S	S	*	*			trans	-90.7	76.9	-175.6	43.8	0	0	0	0	113.9
18	V	50.7	Low	49.4	Very low	117 Å²	117	121 Å²	121	71%	0.709	68%	0.68	S	S	*	*	S	Bend	trans	-81.2	-46	173.7	-178.8	0	0	0	0	112	P16 R20 S21	P16-V18 PolarHBondContact O-N 3.11Å; V18-R20 VanDerWaalsContact C-N 3.35Å; V18-R20 PolarHBondContact O-N 2.83Å; V18-S21 PolarHBondContact O-N 2.85Å
19	G	48.2	Very low	50.1	Low	53 Å²	53	121 Å²	121	55%	0.546	67%	0.673	S	S	.	*	H	α-helix	trans	-64.5	-30.4	-176.6	0	0	0	0	0	115.4	S21 C23	G19-S21 PolarHBondContact O-N 2.97Å; G19-C23 PolarHBondContact O-N 2.71Å
20	R	51.8	Low	51.3	Low	191 Å²	191	118.2 Å²	118.2	72%	0.721	65%	0.654	S	S	*	*	H	α-helix	trans	-67.7	-33.6	179.6	-83.9	-175.3	167.9	-179.6	-4.7	113.2	V18 L24	V18-R20 VanDerWaalsContact C-N 3.35Å; V18-R20 PolarHBondContact O-N 2.83Å; R20-L24 WeakPolarHBondContact O-CB 3.32Å; R20-L24 WeakPolarHBondContact O-CG 3.35Å; R20-L24 PolarHBondContact O-N 3.13Å
21	S	54.6	Low	52.3	Low	77 Å²	77	114.4 Å²	114.4	54%	0.538	63%	0.634	S	S	.	*	H	α-helix	trans	-72.1	-35.9	-178.9	-171.3	0	0	0	0	111.9	V18 G19 T25	V18-S21 PolarHBondContact O-N 2.85Å; G19-S21 PolarHBondContact O-N 2.97Å; S21-T25 WeakPolarHBondContact O-CB 3.41Å; S21-T25 WeakPolarHBondContact O-CG2 3.5Å; S21-T25 PolarHBondContact O-N 3.16Å; S21-T25 PolarHBondContact O-OG1 3.09Å
22	L	55.9	Low	53.2	Low	119 Å²	119	112.4 Å²	112.4	62%	0.623	62%	0.623	S	S	*	*	H	α-helix	trans	-69.6	-42.4	176.6	-149.5	78.2	0	0	0	112.1	T25 L26	L22-T25 WeakPolarHBondContact CA-OG1 3.45Å; L22-T25 PolarHBondContact O-N 3.01Å; L22-T25 PolarHBondContact O-OG1 2.96Å; L22-T25 VanDerWaalsContact O-OG1 3.05Å; L22-L26 HydrophobicContact CG-CD1 4.48Å; L22-L26 WeakPolarHBondContact O-CB 3.47Å; L22-L26 WeakPolarHBondContact O-CG 3.26Å; L22-L26 PolarHBondContact O-N 2.76Å
23	C	58.7	Low	53.8	Low	91 Å²	91	109.1 Å²	109.1	62%	0.615	61%	0.606	S	S	*	*	H	α-helix	trans	-64.2	-42.3	173.8	-72.3	0	0	0	0	112.3	G19 L26 W27	G19-C23 PolarHBondContact O-N 2.71Å; C23-L26 PolarHBondContact O-N 3.05Å; C23-W27 WeakPolarHBondContact O-CB 3.44Å; C23-W27 PolarHBondContact O-N 3.48Å
24	L	63.3	Low	54.4	Low	99 Å²	99	113.5 Å²	113.5	52%	0.518	61%	0.605	S	S	.	*	H	α-helix	trans	-62.8	-44.9	176.8	-83.1	162.1	0	0	0	111.9	R20 W27 F28	R20-L24 WeakPolarHBondContact O-CB 3.32Å; R20-L24 WeakPolarHBondContact O-CG 3.35Å; R20-L24 PolarHBondContact O-N 3.13Å; L24-W27 PolarHBondContact O-N 3.43Å; L24-F28 HydrophobicContact CD2-CE2 4.29Å; L24-F28 WeakPolarHBondContact O-CD2 3.38Å; L24-F28 PolarHBondContact O-N 2.86Å
25	T	66.8	Low	54	Low	77 Å²	77	112 Å²	112	47%	0.472	60%	0.602	S	S	.	*	H	α-helix	trans	-65.6	-40.7	178.2	45.1	0	0	0	0	112.3	S21 L22 W27 F28 L29	S21-T25 WeakPolarHBondContact O-CB 3.41Å; S21-T25 WeakPolarHBondContact O-CG2 3.5Å; S21-T25 PolarHBondContact O-N 3.16Å; S21-T25 PolarHBondContact O-OG1 3.09Å; L22-T25 WeakPolarHBondContact CA-OG1 3.45Å; L22-T25 PolarHBondContact O-N 3.01Å; L22-T25 PolarHBondContact O-OG1 2.96Å; L22-T25 VanDerWaalsContact O-OG1 3.05Å; T25-W27 VanDerWaalsContact C-N 3.34Å; T25-F28 PolarHBondContact O-N 3.24Å; T25-L29 WeakPolarHBondContact O-CB 3.36Å; T25-L29 PolarHBondContact O-N 3.06Å
26	L	64.6	Low	54.3	Low	108 Å²	108	106.4 Å²	106.4	57%	0.565	59%	0.589	S	S	*	*	H	α-helix	trans	-63.7	-37.4	171.7	-74.8	165.9	0	0	0	112.6	L22 C23 L29 S30	L22-L26 HydrophobicContact CG-CD1 4.48Å; L22-L26 WeakPolarHBondContact O-CB 3.47Å; L22-L26 WeakPolarHBondContact O-CG 3.26Å; L22-L26 PolarHBondContact O-N 2.76Å; C23-L26 PolarHBondContact O-N 3.05Å; L26-L29 PolarHBondContact O-N 2.8Å; L26-S30 WeakPolarHBondContact O-CB 3.39Å; L26-S30 PolarHBondContact O-N 3.27Å
27	W	65.2	Low	54.1	Low	165 Å²	165	106.9 Å²	106.9	63%	0.625	59%	0.59	S	S	*	*	H	α-helix	trans	-66	-46.8	176	-146.3	78	0	0	0	111.1	C23 L24 T25 L29 S30 L31	C23-W27 WeakPolarHBondContact O-CB 3.44Å; C23-W27 PolarHBondContact O-N 3.48Å; L24-W27 PolarHBondContact O-N 3.43Å; T25-W27 VanDerWaalsContact C-N 3.34Å; W27-L29 PolarHBondContact O-N 3.29Å; W27-S30 PolarHBondContact O-N 2.93Å; W27-S30 PolarHBondContact O-OG 3.15Å; W27-L31 HydrophobicContact CE3-CD1 4.31Å; W27-L31 HydrophobicContact CH2-CD1 4.35Å; W27-L31 HydrophobicContact CZ3-CD1 4.06Å; W27-L31 HydrophobicContact CZ3-CD2 4.38Å; W27-L31 PolarHBondContact O-N 3.35Å
28	F	64.7	Low	53.9	Low	131 Å²	131	110.5 Å²	110.5	58%	0.575	60%	0.599	S	S	*	*	H	α-helix	trans	-62.7	-38	173.5	-80.8	-65.8	0	0	0	112.9	L24 T25 L31 A32	L24-F28 HydrophobicContact CD2-CE2 4.29Å; L24-F28 WeakPolarHBondContact O-CD2 3.38Å; L24-F28 PolarHBondContact O-N 2.86Å; T25-F28 PolarHBondContact O-N 3.24Å; F28-L31 PolarHBondContact O-N 3.08Å; F28-A32 WeakPolarHBondContact O-CB 3.48Å; F28-A32 PolarHBondContact O-N 3.13Å
29	L	59.5	Low	54.2	Low	110 Å²	110	108.1 Å²	108.1	58%	0.576	59%	0.592	S	S	*	*	H	α-helix	trans	-65.2	-40.4	174.1	-135.6	77.6	0	0	0	111.2	T25 L26 W27 L31 A32 L33	T25-L29 WeakPolarHBondContact O-CB 3.36Å; T25-L29 PolarHBondContact O-N 3.06Å; L26-L29 PolarHBondContact O-N 2.8Å; W27-L29 PolarHBondContact O-N 3.29Å; L29-L31 VanDerWaalsContact C-N 3.33Å; L29-L31 PolarHBondContact O-N 3.06Å; L29-A32 PolarHBondContact O-N 3.26Å; L29-L33 HydrophobicContact CG-CD1 4.41Å; L29-L33 WeakPolarHBondContact O-CB 3.4Å; L29-L33 WeakPolarHBondContact O-CD1 3.44Å; L29-L33 PolarHBondContact O-N 2.81Å
30	S	56.7	Low	55.2	Low	50 Å²	50	111.6 Å²	111.6	35%	0.35	61%	0.605	S	S	.	*	H	α-helix	trans	-66.9	-33	175.3	79.1	0	0	0	0	112.8	L26 W27 R34	L26-S30 WeakPolarHBondContact O-CB 3.39Å; L26-S30 PolarHBondContact O-N 3.27Å; W27-S30 PolarHBondContact O-N 2.93Å; W27-S30 PolarHBondContact O-OG 3.15Å; S30-R34 WeakPolarHBondContact O-CB 3.38Å; S30-R34 VanDerWaalsContact O-CG 3.28Å; S30-R34 WeakPolarHBondContact O-CG 3.09Å; S30-R34 PolarHBondContact O-N 3.25Å
31	L	53.7	Low	56.7	Low	83 Å²	83	104.8 Å²	104.8	44%	0.435	59%	0.59	S	S	.	*	H	α-helix	trans	-70.3	-41.8	173.5	-130.7	74.6	0	0	0	111.1	W27 F28 L29 R34 A35	W27-L31 HydrophobicContact CE3-CD1 4.31Å; W27-L31 HydrophobicContact CH2-CD1 4.35Å; W27-L31 HydrophobicContact CZ3-CD1 4.06Å; W27-L31 HydrophobicContact CZ3-CD2 4.38Å; W27-L31 PolarHBondContact O-N 3.35Å; F28-L31 PolarHBondContact O-N 3.08Å; L29-L31 VanDerWaalsContact C-N 3.33Å; L29-L31 PolarHBondContact O-N 3.06Å; L31-R34 PolarHBondContact O-N 3.46Å; L31-A35 WeakPolarHBondContact O-CB 3.19Å; L31-A35 PolarHBondContact O-N 3.23Å
32	A	51.3	Low	58.6	Low	54 Å²	54	101.9 Å²	101.9	45%	0.446	57%	0.569	S	S	.	*	H	α-helix	trans	-68.5	-38.3	177.5	0	0	0	0	0	112.9	F28 L29 A35 S36	F28-A32 WeakPolarHBondContact O-CB 3.48Å; F28-A32 PolarHBondContact O-N 3.13Å; L29-A32 PolarHBondContact O-N 3.26Å; A32-A35 PolarHBondContact O-N 3.29Å; A32-S36 PolarHBondContact O-N 3.21Å; A32-S36 PolarHBondContact O-OG 3.45Å
33	L	46.8	Very low	60.5	Low	117 Å²	117	99.6 Å²	99.6	61%	0.613	56%	0.56	S	S	*	*	H	α-helix	trans	-68.7	-32.9	171.9	-96.1	75.4	0	0	0	112.3	L29 S36	L29-L33 HydrophobicContact CG-CD1 4.41Å; L29-L33 WeakPolarHBondContact O-CB 3.4Å; L29-L33 WeakPolarHBondContact O-CD1 3.44Å; L29-L33 PolarHBondContact O-N 2.81Å; L33-S36 WeakPolarHBondContact CA-OG 3.48Å; L33-S36 PolarHBondContact O-OG 3.48Å
34	R	46.2	Very low	62.3	Low	204 Å²	204	96.1 Å²	96.1	77%	0.77	54%	0.536	S	S	*	.	H	α-helix	trans	-73.1	-28.5	173	-77.6	177.7	175.8	-164.4	-1.9	113.3	S30 L31 S36	S30-R34 WeakPolarHBondContact O-CB 3.38Å; S30-R34 VanDerWaalsContact O-CG 3.28Å; S30-R34 WeakPolarHBondContact O-CG 3.09Å; S30-R34 PolarHBondContact O-N 3.25Å; L31-R34 PolarHBondContact O-N 3.46Å; R34-S36 VanDerWaalsContact C-N 3.28Å; R34-S36 PolarHBondContact O-N 2.79Å
35	A	40.1	Very low	63.8	Low	83 Å²	83	95.2 Å²	95.2	69%	0.686	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-6	178.1	0	0	0	0	0	114.3	L31 A32	L31-A35 WeakPolarHBondContact O-CB 3.19Å; L31-A35 PolarHBondContact O-N 3.23Å; A32-A35 PolarHBondContact O-N 3.29Å
36	S	43.8	Very low	65.3	Low	87 Å²	87	91.7 Å²	91.7	61%	0.608	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	12.8	-171	41.6	0	0	0	0	115.1	A32 L33 R34	A32-S36 PolarHBondContact O-N 3.21Å; A32-S36 PolarHBondContact O-OG 3.45Å; L33-S36 WeakPolarHBondContact CA-OG 3.48Å; L33-S36 PolarHBondContact O-OG 3.48Å; R34-S36 VanDerWaalsContact C-N 3.28Å; R34-S36 PolarHBondContact O-N 2.79Å
37	T	42.3	Very low	66.8	Low	120 Å²	120	92.3 Å²	92.3	74%	0.736	51%	0.51	S	S	*	.			trans	-121	9.7	178.5	55.1	0	0	0	0	114.8	A39	T37-A39 PolarHBondContact O-N 3.38Å
38	Q	47.6	Very low	68.3	Low	184 Å²	184	85.8 Å²	85.8	86%	0.86	49%	0.486	S	S	*	.			trans	-77.7	111.2	172.1	-142.9	169.2	14.8	0	0	109
39	A	57.3	Low	69.8	Low	68 Å²	68	80.1 Å²	80.1	56%	0.562	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-54.7	141.2	175.7	0	0	0	0	0	110.1	T37 A41	T37-A39 PolarHBondContact O-N 3.38Å; A39-A41 PolarHBondContact O-N 2.93Å
40	P	69.4	Low	71.6	Confident	126 Å²	126	79.7 Å²	79.7	82%	0.818	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-59.2	126.8	-176.7	23.7	-33.2	0	0	0	110.4
41	A	82.9	Confident	73.6	Confident	48 Å²	48	77.3 Å²	77.3	40%	0.397	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-58.5	127	-176.4	0	0	0	0	0	110.9	A39 T43 R52	A39-A41 PolarHBondContact O-N 2.93Å; A41-T43 PolarHBondContact O-N 3.32Å; A41-T43 PolarHBondContact O-OG1 2.87Å; A41-T43 VanDerWaalsContact O-OG1 3.08Å; A41-R52 HydrophobicContact CB-CG 3.76Å
42	P	93.4	Very high	75.7	Confident	16 Å²	16	77.7 Å²	77.7	10%	0.104	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-62.9	131.2	-170.5	29.7	-38.4	0	0	0	109.7	R52 G53 D67 Y69	P42-R52 CarbonylContact O-C 3.58Å; P42-R52 WeakPolarHBondContact O-CA 3.4Å; P42-G53 PolarHBondContact O-N 3.06Å; P42-D67 HydrophobicContact CB-CB 4.2Å; P42-D67 HydrophobicContact CG-CB 4.02Å; P42-Y69 WeakPolarHBondContact CB-OH 3.31Å
43	T	95.7	Very high	77.9	Confident	70 Å²	70	75.1 Å²	75.1	43%	0.429	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	125.5	-172.5	-59.5	0	0	0	0	109.5	A41 L51	A41-T43 PolarHBondContact O-N 3.32Å; A41-T43 PolarHBondContact O-OG1 2.87Å; A41-T43 VanDerWaalsContact O-OG1 3.08Å; T43-L51 CarbonylContact C-O 3.58Å; T43-L51 VanDerWaalsContact CA-O 3.24Å; T43-L51 WeakPolarHBondContact CA-O 3.24Å; T43-L51 WeakPolarHBondContact CG2-O 3.48Å
44	V	96.3	Very high	80.3	Confident	18 Å²	18	71.1 Å²	71.1	11%	0.109	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	150.4	-178.2	163	0	0	0	0	109.6	T46 K50 L51 Y69 F254 F255	V44-T46 HydrophobicContact CG1-CG2 4.49Å; V44-K50 CarbonylContact O-C 3.49Å; V44-K50 WeakPolarHBondContact O-CA 3.37Å; V44-L51 PolarHBondContact N-O 3.33Å; V44-L51 PolarHBondContact O-N 3.48Å; V44-Y69 HydrophobicContact CB-CE1 4.13Å; V44-Y69 HydrophobicContact CG2-CE1 4.14Å; V44-Y69 VanDerWaalsContact CG2-OH 3.22Å; V44-Y69 WeakPolarHBondContact CG2-OH 3.49Å; V44-F254 HydrophobicContact CG1-CB 3.76Å; V44-F254 WeakPolarHBondContact CG1-O 3.29Å; V44-F255 HydrophobicContact CB-CD1 4.35Å; V44-F255 HydrophobicContact CB-CE1 4.13Å; V44-F255 HydrophobicContact CB-CZ 4.46Å; V44-F255 HydrophobicContact CG1-CD1 4.04Å; V44-F255 HydrophobicContact CG1-CD2 4.07Å; V44-F255 HydrophobicContact CG1-CE1 3.85Å; V44-F255 HydrophobicContact CG1-CE2 3.89Å; V44-F255 HydrophobicContact CG1-CG 4.16Å; V44-F255 HydrophobicContact CG1-CZ 3.79Å; V44-F255 HydrophobicContact CG2-CD1 4.11Å; V44-F255 HydrophobicContact CG2-CE1 4.35Å
45	N	96.3	Very high	82.6	Confident	81 Å²	81	66.6 Å²	66.6	43%	0.433	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	111.4	177.5	-175.5	91.8	0	0	0	109.7	K50 F254	N45-K50 HydrophobicContact CB-CG 4.2Å; N45-K50 WeakPolarHBondContact OD1-CE 3.17Å; N45-K50 WeakPolarHBondContact OD1-CG 3.41Å; N45-F254 WeakPolarHBondContact O-CB 3.45Å; N45-F254 WeakPolarHBondContact O-CD1 3.47Å; N45-F254 WeakPolarHBondContact O-CD2 3.28Å; N45-F254 WeakPolarHBondContact O-CG 3.17Å
46	T	96.8	Very high	85.2	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.018	36%	0.363	C	S	.	.			trans	-89.9	177.6	175.4	73.5	0	0	0	0	110.8	V44 F48 G49 L51 W247 N251 F255	V44-T46 HydrophobicContact CG1-CG2 4.49Å; T46-F48 PolarHBondContact O-N 2.87Å; T46-F48 PolarHBondContact OG1-N 3.31Å; T46-F48 VanDerWaalsContact OG1-N 3.16Å; T46-G49 PolarHBondContact N-O 3.49Å; T46-G49 PolarHBondContact OG1-N 2.9Å; T46-G49 PolarHBondContact OG1-O 2.89Å; T46-L51 HydrophobicContact CG2-CD1 3.55Å; T46-L51 HydrophobicContact CG2-CG 4.27Å; T46-W247 HydrophobicContact CG2-CZ2 4.09Å; T46-N251 WeakPolarHBondContact CB-OD1 3.38Å; T46-F255 HydrophobicContact CG2-CE2 4.03Å; T46-F255 HydrophobicContact CG2-CZ 4.11Å
47	H	96.3	Very high	87.5	Confident	120 Å²	120	65.6 Å²	65.6	56%	0.556	37%	0.366	S	S	*	.	S	Bend	trans	-61.4	-24.1	170	-75.8	-64.7	0	0	0	113.2	E250 N251 F254	H47-E250 PolarHBondContact CD2-O 2.84Å; H47-E250 PolarHBondContact NE2-O 3.22Å; H47-N251 WeakPolarHBondContact CB-OD1 3.47Å; H47-N251 PolarHBondContact CD2-OD1 3.32Å; H47-N251 PolarHBondContact N-OD1 2.82Å; H47-F254 AromaticContact CD2-CE2 3.61Å; H47-F254 AromaticContact CE1-CZ 3.88Å; H47-F254 AromaticContact NE2-CE2 3.61Å; H47-F254 AromaticContact NE2-CZ 3.71Å
48	F	96.9	Very high	89.9	Confident	28 Å²	28	61 Å²	61	12%	0.123	34%	0.337	C	S	.	.	S	Bend	trans	-96.6	-22.1	-175.7	-57.7	-81	0	0	0	113.8	T46 P89 P90 S92 W93 W247	T46-F48 PolarHBondContact O-N 2.87Å; T46-F48 PolarHBondContact OG1-N 3.31Å; T46-F48 VanDerWaalsContact OG1-N 3.16Å; F48-P89 HydrophobicContact CE1-CB 4.38Å; F48-P90 HydrophobicContact CD1-CG 3.8Å; F48-P90 WeakPolarHBondContact CD1-O 3.39Å; F48-P90 HydrophobicContact CD2-CG 4Å; F48-P90 HydrophobicContact CE1-CG 3.77Å; F48-P90 VanDerWaalsContact CE1-O 3.31Å; F48-P90 WeakPolarHBondContact CE1-O 3.42Å; F48-P90 HydrophobicContact CE2-CG 3.97Å; F48-P90 HydrophobicContact CG-CG 3.92Å; F48-P90 HydrophobicContact CZ-CG 3.87Å; F48-S92 CarbonylContact O-C 3.48Å; F48-S92 WeakPolarHBondContact O-CA 3.28Å; F48-S92 WeakPolarHBondContact O-CB 3.36Å; F48-W93 HydrophobicContact CB-CE3 4.2Å; F48-W93 HydrophobicContact CB-CH2 3.82Å; F48-W93 HydrophobicContact CB-CZ3 3.61Å; F48-W93 PolarHBondContact O-N 3.42Å; F48-W247 AromaticContact CD2-NE1 3.7Å; F48-W247 AromaticContact CE2-CD1 3.62Å; F48-W247 AromaticContact CE2-NE1 3.77Å
49	G	96.3	Very high	91.5	Very high	12 Å²	12	57.5 Å²	57.5	12%	0.124	33%	0.33	C	S	.	.			trans	158.1	-173.7	176.2	0	0	0	0	0	113.3	T46	T46-G49 PolarHBondContact N-O 3.49Å; T46-G49 PolarHBondContact OG1-N 2.9Å; T46-G49 PolarHBondContact OG1-O 2.89Å
50	K	98	Very high	92.4	Very high	101 Å²	101	55.5 Å²	55.5	44%	0.439	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	138.3	178.5	-62.5	179.1	-178.2	-175.4	0	111.3	V44 N45 W93 G95 I96 R97	V44-K50 CarbonylContact O-C 3.49Å; V44-K50 WeakPolarHBondContact O-CA 3.37Å; N45-K50 HydrophobicContact CB-CG 4.2Å; N45-K50 WeakPolarHBondContact OD1-CE 3.17Å; N45-K50 WeakPolarHBondContact OD1-CG 3.41Å; K50-W93 PolarHBondContact O-NE1 3.2Å; K50-G95 WeakPolarHBondContact CB-O 3.41Å; K50-I96 HydrophobicContact CB-CB 4.39Å; K50-I96 HydrophobicContact CB-CG1 3.95Å; K50-I96 HydrophobicContact CB-CG2 4.44Å; K50-I96 HydrophobicContact CD-CG1 4.29Å; K50-R97 PolarHBondContact O-N 2.85Å
51	L	97.9	Very high	92.6	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	141.8	174.9	-65.8	168.6	0	0	0	109.6	T43 V44 T46 Y69 V72 W93 R97 A99 F255	T43-L51 CarbonylContact C-O 3.58Å; T43-L51 VanDerWaalsContact CA-O 3.24Å; T43-L51 WeakPolarHBondContact CA-O 3.24Å; T43-L51 WeakPolarHBondContact CG2-O 3.48Å; V44-L51 PolarHBondContact N-O 3.33Å; V44-L51 PolarHBondContact O-N 3.48Å; T46-L51 HydrophobicContact CG2-CD1 3.55Å; T46-L51 HydrophobicContact CG2-CG 4.27Å; L51-Y69 HydrophobicContact CB-CD1 4.22Å; L51-V72 HydrophobicContact CD1-CB 4.44Å; L51-V72 HydrophobicContact CD1-CG1 3.62Å; L51-V72 HydrophobicContact CD1-CG2 3.95Å; L51-V72 HydrophobicContact CD2-CG1 4.39Å; L51-W93 HydrophobicContact CD2-CH2 4.18Å; L51-W93 HydrophobicContact CD2-CZ2 3.55Å; L51-W93 HydrophobicContact CG-CZ2 3.95Å; L51-R97 CarbonylContact C-O 3.6Å; L51-R97 VanDerWaalsContact CA-O 3.32Å; L51-R97 WeakPolarHBondContact CA-O 3.37Å; L51-R97 HydrophobicContact CD2-CB 4.24Å; L51-R97 HydrophobicContact CD2-CG 4.43Å; L51-A99 HydrophobicContact CD2-CB 4.26Å; L51-F255 HydrophobicContact CD1-CZ 3.89Å
52	R	98	Very high	92.5	Very high	91 Å²	91	60.3 Å²	60.3	34%	0.343	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	115.3	168.3	176.6	-174.2	-66.6	143.3	-7.2	109.6	A41 P42 I96 R97 N98 A99	A41-R52 HydrophobicContact CB-CG 3.76Å; P42-R52 CarbonylContact O-C 3.58Å; P42-R52 WeakPolarHBondContact O-CA 3.4Å; R52-I96 HydrophobicContact CB-CG2 3.71Å; R52-R97 PolarHBondContact N-O 3.43Å; R52-N98 PolarHBondContact NH1-OD1 2.88Å; R52-A99 PolarHBondContact O-N 2.98Å
53	G	97.5	Very high	92.2	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.01	32%	0.317	C	S	.	.			trans	-90.6	-166.2	172.8	0	0	0	0	0	112.7	P42 Q68	P42-G53 PolarHBondContact O-N 3.06Å; G53-Q68 CarbonylContact C-O 3.5Å; G53-Q68 WeakPolarHBondContact CA-O 3.47Å
54	A	96.9	Very high	92	Very high	33 Å²	33	57.4 Å²	57.4	27%	0.273	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	136.5	174.9	0	0	0	0	0	110.7	Q68 T100	A54-Q68 PolarHBondContact N-O 3.3Å; A54-Q68 PolarHBondContact O-N 3.35Å; A54-T100 HydrophobicContact CB-CG2 4.16Å
55	R	95.5	Very high	91.9	Very high	108 Å²	108	58 Å²	58	41%	0.408	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	118.6	171.6	-174.2	162.8	-69.9	-161.7	-3.2	109.5	P65 D67 D152	R55-P65 HydrophobicContact CG-CB 4.15Å; R55-D67 WeakPolarHBondContact CA-OD1 3.39Å; R55-D67 WeakPolarHBondContact CB-OD1 3.42Å; R55-D67 VanDerWaalsContact CG-OD1 3.28Å; R55-D67 WeakPolarHBondContact CG-OD1 3.45Å; R55-D67 IonicContact CZ-OD1 3.7Å; R55-D67 IonicContact CZ-OD2 2.69Å; R55-D67 IonicContact NE-OD1 2.76Å; R55-D67 PolarHBondContact NE-OD1 3.28Å; R55-D67 IonicContact NE-OD2 3.85Å; R55-D67 IonicContact NH2-OD1 3.48Å; R55-D67 PolarHBondContact NH2-OD1 3.24Å; R55-D67 IonicContact NH2-OD2 3.31Å; R55-D67 PolarHBondContact NH2-OD2 3.47Å; R55-D152 IonicContact NH1-OD2 2.66Å; R55-D152 PolarHBondContact NH1-OD2 3.1Å
56	V	94.3	Very high	91.9	Very high	45 Å²	45	54.1 Å²	54.1	27%	0.273	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.8	-176.4	-179.2	0	0	0	0	109.8	P65 V66 Q68	V56-P65 WeakPolarHBondContact O-CA 3.42Å; V56-P65 WeakPolarHBondContact O-CB 3.38Å; V56-V66 PolarHBondContact N-O 3.05Å; V56-V66 PolarHBondContact O-N 2.97Å; V56-Q68 HydrophobicContact CB-CG 4.46Å; V56-Q68 HydrophobicContact CG2-CG 4.07Å
57	P	92.7	Very high	91.9	Very high	104 Å²	104	54.8 Å²	54.8	68%	0.675	29%	0.286	S	S	*	.			trans	-74.4	143.5	171	32.3	-33.6	0	0	0	110.5
58	L	91	Very high	92	Very high	25 Å²	25	50.3 Å²	50.3	13%	0.131	27%	0.266	C	S	.	.			trans	-91.7	153.3	177.3	-65.9	177.9	0	0	0	111.4	S60 L63 G64 V66 I203 S206	L58-S60 PolarHBondContact O-N 2.88Å; L58-L63 HydrophobicContact CB-CB 4.22Å; L58-L63 HydrophobicContact CD1-CB 3.76Å; L58-L63 HydrophobicContact CD1-CD1 4.11Å; L58-G64 WeakPolarHBondContact CD1-O 3.41Å; L58-V66 HydrophobicContact CD1-CG2 4.11Å; L58-I203 HydrophobicContact CD1-CD1 3.98Å; L58-I203 HydrophobicContact CD2-CD1 3.88Å; L58-I203 HydrophobicContact CG-CD1 4.38Å; L58-S206 VanDerWaalsContact CD1-CB 3.49Å
59	P	81.8	Confident	92.1	Very high	110 Å²	110	49.4 Å²	49.4	71%	0.714	26%	0.262	S	S	*	.	S	Bend	trans	-64.6	-8.1	179.8	-23.8	34.8	0	0	0	115.8	V516	P59-V516 HydrophobicContact CB-CG1 4.49Å; P59-V516 HydrophobicContact CG-CG1 3.98Å
60	S	76.4	Confident	92.2	Very high	25 Å²	25	49.4 Å²	49.4	18%	0.175	26%	0.259	C	S	.	.			trans	-104.1	127.3	-176.6	174.5	0	0	0	0	111.2	L58 I62 L63	L58-S60 PolarHBondContact O-N 2.88Å; S60-I62 PolarHBondContact O-N 2.98Å; S60-I62 VanDerWaalsContact O-N 3.11Å; S60-I62 PolarHBondContact OG-N 3.47Å; S60-L63 PolarHBondContact O-N 3.48Å
61	E	73.2	Confident	92.2	Very high	191 Å²	191	44.9 Å²	44.9	89%	0.893	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-14.6	175.9	-59.7	-176	166.4	0	0	113.9	S154	E61-S154 PolarHBondContact O-OG 3.45Å
62	I	80.4	Confident	92.2	Very high	85 Å²	85	44.9 Å²	44.9	44%	0.436	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-28.5	179.8	-56.2	172.3	0	0	0	111.3	S60 F560 I561	S60-I62 PolarHBondContact O-N 2.98Å; S60-I62 VanDerWaalsContact O-N 3.11Å; S60-I62 PolarHBondContact OG-N 3.47Å; I62-F560 HydrophobicContact CD1-CB 4.29Å; I62-I561 HydrophobicContact CB-CD1 4.12Å; I62-I561 HydrophobicContact CD1-CB 4.38Å; I62-I561 HydrophobicContact CD1-CD1 4.11Å; I62-I561 HydrophobicContact CG2-CB 4.35Å; I62-I561 HydrophobicContact CG2-CD1 4.09Å
63	L	88.9	Confident	92.2	Very high	18 Å²	18	40.9 Å²	40.9	9%	0.094	23%	0.227	C	C	.	.	S	Bend	trans	-90.6	130.1	-175.7	-63.7	179.8	0	0	0	110.7	L58 S60 I203 Y207 M515 I561	L58-L63 HydrophobicContact CB-CB 4.22Å; L58-L63 HydrophobicContact CD1-CB 3.76Å; L58-L63 HydrophobicContact CD1-CD1 4.11Å; S60-L63 PolarHBondContact O-N 3.48Å; L63-I203 HydrophobicContact CD1-CD1 3.81Å; L63-I203 HydrophobicContact CD1-CG2 3.92Å; L63-Y207 HydrophobicContact CD2-CD2 4.36Å; L63-M515 HydrophobicContact CD1-SD 4.43Å; L63-I561 HydrophobicContact CD2-CD1 4.34Å; L63-I561 HydrophobicContact CG-CD1 4.44Å
64	G	90.1	Very high	92.3	Very high	6 Å²	6	40.9 Å²	40.9	6%	0.062	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-68.3	154.5	174.7	0	0	0	0	0	112	L58 S206	L58-G64 WeakPolarHBondContact CD1-O 3.41Å; G64-S206 PolarHBondContact N-OG 3.26Å; G64-S206 VanDerWaalsContact N-OG 3.08Å; G64-S206 PolarHBondContact O-OG 3.5Å
65	P	94.3	Very high	92.4	Very high	30 Å²	30	39.5 Å²	39.5	20%	0.195	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-63.6	161.9	175	24.1	-28.1	0	0	0	111.8	R55 V56 T150	R55-P65 HydrophobicContact CG-CB 4.15Å; V56-P65 WeakPolarHBondContact O-CA 3.42Å; V56-P65 WeakPolarHBondContact O-CB 3.38Å; P65-T150 WeakPolarHBondContact CD-OG1 3.1Å; P65-T150 HydrophobicContact CG-CG2 4.47Å; P65-T150 WeakPolarHBondContact CG-OG1 3.19Å; P65-T150 WeakPolarHBondContact O-CB 3.38Å; P65-T150 VanDerWaalsContact O-CG2 3.29Å; P65-T150 WeakPolarHBondContact O-CG2 3.06Å; P65-T150 PolarHBondContact O-N 2.8Å; P65-T150 VanDerWaalsContact O-N 3.13Å; P65-T150 PolarHBondContact O-OG1 2.86Å
66	V	96.4	Very high	92.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	134.1	-177.7	176.3	0	0	0	0	109.5	V56 L58 Q68 Y147 V148 S202	V56-V66 PolarHBondContact N-O 3.05Å; V56-V66 PolarHBondContact O-N 2.97Å; L58-V66 HydrophobicContact CD1-CG2 4.11Å; V66-Q68 HydrophobicContact CG1-CG 4.18Å; V66-Y147 HydrophobicContact CG1-CD1 4.49Å; V66-V148 CarbonylContact C-O 3.58Å; V66-V148 WeakPolarHBondContact CA-O 3.31Å; V66-V148 WeakPolarHBondContact CG1-O 3.14Å; V66-S202 WeakPolarHBondContact CG2-O 3.39Å
67	D	97.6	Very high	92.7	Very high	17 Å²	17	34.4 Å²	34.4	9%	0.091	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	111.1	168.8	-72.3	-25.5	0	0	0	108.7	P42 R55 Y69 V148	P42-D67 HydrophobicContact CB-CB 4.2Å; P42-D67 HydrophobicContact CG-CB 4.02Å; R55-D67 WeakPolarHBondContact CA-OD1 3.39Å; R55-D67 WeakPolarHBondContact CB-OD1 3.42Å; R55-D67 VanDerWaalsContact CG-OD1 3.28Å; R55-D67 WeakPolarHBondContact CG-OD1 3.45Å; R55-D67 IonicContact CZ-OD1 3.7Å; R55-D67 IonicContact CZ-OD2 2.69Å; R55-D67 IonicContact NE-OD1 2.76Å; R55-D67 PolarHBondContact NE-OD1 3.28Å; R55-D67 IonicContact NE-OD2 3.85Å; R55-D67 IonicContact NH2-OD1 3.48Å; R55-D67 PolarHBondContact NH2-OD1 3.24Å; R55-D67 IonicContact NH2-OD2 3.31Å; R55-D67 PolarHBondContact NH2-OD2 3.47Å; D67-Y69 HydrophobicContact CB-CE2 4.16Å; D67-V148 HydrophobicContact CB-CB 4.36Å; D67-V148 PolarHBondContact N-O 3.48Å; D67-V148 PolarHBondContact O-N 2.98Å
68	Q	98.3	Very high	92.9	Very high	26 Å²	26	29.7 Å²	29.7	12%	0.121	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.9	-178.6	-65	-176.5	-8.2	0	0	111.1	G53 A54 V56 V66 L70 V146 Y147 S202	G53-Q68 CarbonylContact C-O 3.5Å; G53-Q68 WeakPolarHBondContact CA-O 3.47Å; A54-Q68 PolarHBondContact N-O 3.3Å; A54-Q68 PolarHBondContact O-N 3.35Å; V56-Q68 HydrophobicContact CB-CG 4.46Å; V56-Q68 HydrophobicContact CG2-CG 4.07Å; V66-Q68 HydrophobicContact CG1-CG 4.18Å; Q68-L70 HydrophobicContact CB-CD2 4.13Å; Q68-L70 HydrophobicContact CB-CG 4.3Å; Q68-V146 WeakPolarHBondContact CA-O 3.34Å; Q68-Y147 HydrophobicContact CG-CD1 3.92Å; Q68-Y147 HydrophobicContact CG-CE1 4.18Å; Q68-S202 PolarHBondContact NE2-OG 3.13Å
69	Y	98.6	Very high	93.2	Very high	9 Å²	9	32.7 Å²	32.7	4%	0.035	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	93.6	171	-58.7	-98.9	0	0	0	108.3	P42 V44 L51 D67 A99 N145 V146 V148 F255	P42-Y69 WeakPolarHBondContact CB-OH 3.31Å; V44-Y69 HydrophobicContact CB-CE1 4.13Å; V44-Y69 HydrophobicContact CG2-CE1 4.14Å; V44-Y69 VanDerWaalsContact CG2-OH 3.22Å; V44-Y69 WeakPolarHBondContact CG2-OH 3.49Å; L51-Y69 HydrophobicContact CB-CD1 4.22Å; D67-Y69 HydrophobicContact CB-CE2 4.16Å; Y69-A99 CarbonylContact C-O 3.52Å; Y69-A99 WeakPolarHBondContact CA-O 3.3Å; Y69-N145 CarbonylContact O-C 3.52Å; Y69-N145 VanDerWaalsContact O-CA 3.32Å; Y69-N145 WeakPolarHBondContact O-CA 3.27Å; Y69-V146 PolarHBondContact N-O 2.86Å; Y69-V146 PolarHBondContact O-N 3.31Å; Y69-V148 HydrophobicContact CD2-CG2 4.37Å; Y69-V148 HydrophobicContact CE2-CG2 4.17Å; Y69-F255 AromaticContact CD1-CE1 3.94Å; Y69-F255 HydrophobicContact CD1-CE1 3.94Å; Y69-F255 AromaticContact CD2-CD1 3.85Å; Y69-F255 HydrophobicContact CD2-CD1 3.85Å; Y69-F255 AromaticContact CD2-CE1 3.71Å; Y69-F255 HydrophobicContact CD2-CE1 3.71Å; Y69-F255 HydrophobicContact CE1-CE1 4.17Å; Y69-F255 AromaticContact CE2-CD1 3.82Å; Y69-F255 HydrophobicContact CE2-CD1 3.82Å; Y69-F255 AromaticContact CE2-CE1 3.97Å; Y69-F255 HydrophobicContact CE2-CE1 3.97Å; Y69-F255 HydrophobicContact CG-CD1 4.32Å; Y69-F255 AromaticContact CG-CE1 3.7Å; Y69-F255 HydrophobicContact CG-CE1 3.7Å
70	L	98.4	Very high	93.9	Very high	12 Å²	12	29.3 Å²	29.3	6%	0.063	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	136.1	-174.7	-48.6	-177.6	0	0	0	110.2	Q68 A99 H101 F102 N145 Y147	Q68-L70 HydrophobicContact CB-CD2 4.13Å; Q68-L70 HydrophobicContact CB-CG 4.3Å; L70-A99 PolarHBondContact N-O 3.04Å; L70-A99 CarbonylContact O-C 3.56Å; L70-A99 WeakPolarHBondContact O-CA 3.49Å; L70-A99 WeakPolarHBondContact O-CB 3.43Å; L70-H101 CarbonylContact C-O 3.59Å; L70-F102 HydrophobicContact CB-CD1 4.15Å; L70-F102 HydrophobicContact CB-CE1 4.39Å; L70-F102 HydrophobicContact CD1-CD1 4.27Å; L70-F102 HydrophobicContact CD1-CE1 4.01Å; L70-F102 HydrophobicContact CD1-CE2 4.31Å; L70-F102 HydrophobicContact CD1-CZ 4.03Å; L70-F102 HydrophobicContact CD2-CD1 4.38Å; L70-F102 HydrophobicContact CD2-CE1 3.79Å; L70-F102 HydrophobicContact CD2-CZ 4.3Å; L70-F102 HydrophobicContact CG-CD1 4.5Å; L70-F102 HydrophobicContact CG-CE1 4.27Å; L70-N145 WeakPolarHBondContact CA-OD1 3.49Å; L70-N145 HydrophobicContact CD2-CB 3.95Å; L70-Y147 HydrophobicContact CD2-CE1 4.25Å
71	G	97.6	Very high	94.8	Very high	6 Å²	6	35 Å²	35	6%	0.062	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	72.8	43.1	178.6	0	0	0	0	0	115.4	Y143 L144 N145	G71-Y143 WeakPolarHBondContact O-CD1 3.19Å; G71-L144 PolarHBondContact N-O 2.91Å; G71-N145 PolarHBondContact N-OD1 2.87Å
72	V	98.6	Very high	95.9	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	119.6	173.7	-175.6	0	0	0	0	109.7	L51 Y74 A99 Y143 L144 W247	L51-V72 HydrophobicContact CD1-CB 4.44Å; L51-V72 HydrophobicContact CD1-CG1 3.62Å; L51-V72 HydrophobicContact CD1-CG2 3.95Å; L51-V72 HydrophobicContact CD2-CG1 4.39Å; V72-Y74 PolarHBondContact O-N 3.25Å; V72-A99 HydrophobicContact CG2-CB 4.1Å; V72-Y143 WeakPolarHBondContact O-CA 3.38Å; V72-L144 HydrophobicContact CB-CD1 3.97Å; V72-L144 WeakPolarHBondContact CB-O 3.5Å; V72-L144 HydrophobicContact CG1-CD1 4.4Å; V72-L144 PolarHBondContact N-O 2.81Å; V72-L144 PolarHBondContact O-N 2.9Å; V72-W247 HydrophobicContact CG1-CH2 3.72Å; V72-W247 HydrophobicContact CG1-CZ2 3.39Å
73	P	98.4	Very high	96.8	Very high	8 Å²	8	25.6 Å²	25.6	5%	0.052	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	124.7	178.6	27.2	-32.7	0	0	0	110.5	P90 W93 Y143	P73-P90 HydrophobicContact CB-CB 4.36Å; P73-W93 HydrophobicContact CG-CH2 4.07Å; P73-W93 HydrophobicContact CG-CZ3 3.78Å; P73-Y143 HydrophobicContact CB-CD1 3.98Å; P73-Y143 HydrophobicContact CB-CE1 3.69Å; P73-Y143 HydrophobicContact CG-CE1 4.32Å
74	Y	98.6	Very high	97.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.139	C	C	.	.			trans	-106.3	-8.6	176.7	71	-103.2	0	0	0	113.6	V72 P90 L142 L144 N216 D240 Q243 A244	V72-Y74 PolarHBondContact O-N 3.25Å; Y74-P90 WeakPolarHBondContact O-CD 3.44Å; Y74-L142 WeakPolarHBondContact CD1-O 3.29Å; Y74-L142 HydrophobicContact CE1-CB 4.23Å; Y74-L142 HydrophobicContact CE2-CB 4.19Å; Y74-L142 PolarHBondContact N-O 3.36Å; Y74-L144 HydrophobicContact CD1-CB 4.02Å; Y74-L144 HydrophobicContact CD1-CD2 3.9Å; Y74-L144 HydrophobicContact CD1-CG 4Å; Y74-L144 HydrophobicContact CG-CD2 4.06Å; Y74-N216 WeakPolarHBondContact CE1-O 3.47Å; Y74-N216 PolarHBondContact OH-O 3.09Å; Y74-D240 WeakPolarHBondContact CE2-O 3.13Å; Y74-Q243 HydrophobicContact CD2-CB 4.48Å; Y74-Q243 HydrophobicContact CD2-CG 4.2Å; Y74-Q243 HydrophobicContact CE2-CB 4.47Å; Y74-Q243 PolarHBondContact O-NE2 3.39Å; Y74-A244 HydrophobicContact CD1-CB 4.08Å; Y74-A244 HydrophobicContact CD2-CB 3.7Å; Y74-A244 HydrophobicContact CE1-CB 4.11Å; Y74-A244 HydrophobicContact CE2-CB 3.78Å; Y74-A244 HydrophobicContact CG-CB 3.87Å
75	A	98.6	Very high	97.6	Very high	5 Å²	5	28 Å²	28	4%	0.041	16%	0.155	C	C	.	.	S	Bend	trans	-147.1	167.6	176.8	0	0	0	0	0	110.8	P87 E88 L142 Q243	A75-P87 HydrophobicContact CB-CB 3.99Å; A75-E88 CarbonylContact C-O 3.46Å; A75-E88 WeakPolarHBondContact CA-O 3.22Å; A75-E88 VanDerWaalsContact CB-O 3.32Å; A75-E88 WeakPolarHBondContact CB-O 3.32Å; A75-L142 HydrophobicContact CB-CB 3.92Å; A75-L142 HydrophobicContact CB-CD1 3.64Å; A75-L142 HydrophobicContact CB-CG 4.44Å; A75-Q243 HydrophobicContact CB-CG 4.02Å
76	A	98.3	Very high	97.8	Very high	8 Å²	8	30.2 Å²	30.2	7%	0.066	17%	0.169	C	C	.	.			trans	-73.9	150	169.6	0	0	0	0	0	111.1	E88	A76-E88 HydrophobicContact CB-CB 4.22Å; A76-E88 PolarHBondContact N-O 2.88Å
77	P	98.1	Very high	97.9	Very high	37 Å²	37	31.1 Å²	31.1	24%	0.24	18%	0.175	C	C	.	.			trans	-57.3	125.7	178.3	-26.5	35.6	0	0	0	112.3	I79 D140	P77-I79 HydrophobicContact CB-CD1 4.24Å; P77-I79 HydrophobicContact CB-CG1 4.16Å; P77-I79 HydrophobicContact CB-CG2 4.29Å; P77-I79 PolarHBondContact O-N 3.01Å; P77-D140 HydrophobicContact CB-CB 4Å; P77-D140 HydrophobicContact CG-CB 4.34Å
78	P	97.7	Very high	98	Very high	6 Å²	6	34.9 Å²	34.9	4%	0.039	19%	0.192	C	C	.	.			trans	-81.9	46.7	-175	35	-38.1	0	0	0	112.5	K82 R83 E139 L142 R218	P78-K82 CarbonylContact O-C 3.38Å; P78-R83 WeakPolarHBondContact O-CA 3.5Å; P78-R83 PolarHBondContact O-N 2.87Å; P78-E139 VanDerWaalsContact CD-O 3.32Å; P78-E139 WeakPolarHBondContact CD-O 3.31Å; P78-E139 WeakPolarHBondContact CG-O 3.38Å; P78-L142 HydrophobicContact CB-CD1 4.24Å; P78-L142 HydrophobicContact CG-CD1 3.85Å; P78-L142 HydrophobicContact CG-CG 3.99Å; P78-R218 HydrophobicContact CG-CG 4.25Å
79	I	97.1	Very high	97.9	Very high	88 Å²	88	37.4 Å²	37.4	45%	0.451	21%	0.21	S	C	.	.			trans	-100.1	154.3	-171.8	61.6	177.3	0	0	0	113.2	P77 E81 K82 E139	P77-I79 HydrophobicContact CB-CD1 4.24Å; P77-I79 HydrophobicContact CB-CG1 4.16Å; P77-I79 HydrophobicContact CB-CG2 4.29Å; P77-I79 PolarHBondContact O-N 3.01Å; I79-E81 PolarHBondContact O-N 3.11Å; I79-K82 PolarHBondContact O-N 3.46Å; I79-K82 VanDerWaalsContact O-N 3.12Å; I79-E139 HydrophobicContact CG2-CB 3.64Å
80	G	95.3	Very high	97.8	Very high	38 Å²	38	37.2 Å²	37.2	39%	0.392	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	60.3	-125.5	178.5	0	0	0	0	0	111.4	K82 R83	G80-K82 PolarHBondContact O-N 2.73Å; G80-K82 VanDerWaalsContact O-N 3.09Å; G80-R83 VanDerWaalsContact O-CB 3.26Å; G80-R83 WeakPolarHBondContact O-CB 3.38Å; G80-R83 PolarHBondContact O-N 3Å
81	E	96.1	Very high	97.5	Very high	144 Å²	144	41 Å²	41	67%	0.673	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-56.3	-25	176.4	-54	-49	127	0	0	113.7	I79 R83 L85	I79-E81 PolarHBondContact O-N 3.11Å; E81-R83 VanDerWaalsContact C-N 3.28Å; E81-R83 PolarHBondContact O-N 3.26Å; E81-L85 WeakPolarHBondContact O-CD1 3.33Å
82	K	97.4	Very high	97.5	Very high	67 Å²	67	45 Å²	45	29%	0.291	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-80	-6.2	177	-58.7	-169.3	-177.1	-173.6	0	113.8	P78 I79 G80 L85 E88	P78-K82 CarbonylContact O-C 3.38Å; I79-K82 PolarHBondContact O-N 3.46Å; I79-K82 VanDerWaalsContact O-N 3.12Å; G80-K82 PolarHBondContact O-N 2.73Å; G80-K82 VanDerWaalsContact O-N 3.09Å; K82-L85 PolarHBondContact O-N 3.42Å; K82-E88 WeakPolarHBondContact CE-OE1 3.36Å; K82-E88 WeakPolarHBondContact CE-OE2 3.29Å; K82-E88 VanDerWaalsContact NZ-CD 3.26Å; K82-E88 IonicContact NZ-OE1 3.72Å; K82-E88 PolarHBondContact NZ-OE1 2.79Å; K82-E88 IonicContact NZ-OE2 3.63Å; K82-E88 PolarHBondContact NZ-OE2 2.95Å
83	R	98.3	Very high	97.4	Very high	13 Å²	13	47.2 Å²	47.2	5%	0.049	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	137	172.1	-165.8	-166.6	-70.7	159.4	1.4	109.2	P78 G80 E81 L85 E139 L222 L332 R333 K335	P78-R83 WeakPolarHBondContact O-CA 3.5Å; P78-R83 PolarHBondContact O-N 2.87Å; G80-R83 VanDerWaalsContact O-CB 3.26Å; G80-R83 WeakPolarHBondContact O-CB 3.38Å; G80-R83 PolarHBondContact O-N 3Å; E81-R83 VanDerWaalsContact C-N 3.28Å; E81-R83 PolarHBondContact O-N 3.26Å; R83-L85 PolarHBondContact O-N 3.46Å; R83-E139 IonicContact CZ-OE1 3.6Å; R83-E139 IonicContact CZ-OE2 2.75Å; R83-E139 VanDerWaalsContact CZ-OE2 3.31Å; R83-E139 IonicContact NE-OE1 3.39Å; R83-E139 IonicContact NE-OE2 3.52Å; R83-E139 PolarHBondContact NE-OE2 2.88Å; R83-E139 VanDerWaalsContact NH2-CD 3.28Å; R83-E139 IonicContact NH2-OE1 2.73Å; R83-E139 PolarHBondContact NH2-OE1 3.49Å; R83-E139 IonicContact NH2-OE2 3.68Å; R83-E139 PolarHBondContact NH2-OE2 3.02Å; R83-L222 HydrophobicContact CG-CD2 3.98Å; R83-L332 PolarHBondContact NH1-O 3.24Å; R83-R333 HydrophobicContact CB-CG 4.45Å; R83-R333 PolarHBondContact NH1-O 2.9Å; R83-R333 PolarHBondContact O-NE 2.78Å; R83-K335 PolarHBondContact NH1-O 3.45Å; R83-K335 PolarHBondContact NH2-O 3.23Å
84	F	98.4	Very high	97.2	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	33.4	-173.3	-40.6	-59.2	0	0	0	113.6	V221 L222 L225 Y236 V329 L332 R333 L340	F84-V221 HydrophobicContact CE1-CG1 4.21Å; F84-V221 WeakPolarHBondContact CE1-O 3.44Å; F84-V221 HydrophobicContact CZ-CG1 4.4Å; F84-L222 HydrophobicContact CE1-CD2 4.22Å; F84-L222 HydrophobicContact CZ-CD2 4.39Å; F84-L225 HydrophobicContact CD1-CB 4.07Å; F84-L225 HydrophobicContact CD1-CD2 4.38Å; F84-L225 HydrophobicContact CE1-CB 3.96Å; F84-L225 HydrophobicContact CE1-CD1 4.2Å; F84-L225 HydrophobicContact CE1-CG 4.46Å; F84-L225 HydrophobicContact CZ-CD1 4.25Å; F84-Y236 VanDerWaalsContact C-CE1 3.43Å; F84-Y236 HydrophobicContact CB-CE2 3.81Å; F84-Y236 HydrophobicContact CD1-CE2 4.12Å; F84-Y236 HydrophobicContact CG-CE2 4.46Å; F84-Y236 VanDerWaalsContact O-CE1 3.26Å; F84-Y236 WeakPolarHBondContact O-CE1 3.42Å; F84-Y236 VanDerWaalsContact O-CZ 3.31Å; F84-Y236 PolarHBondContact O-OH 2.87Å; F84-V329 HydrophobicContact CD2-CG1 4.08Å; F84-L332 HydrophobicContact CE2-CB 3.88Å; F84-L332 HydrophobicContact CZ-CB 4.42Å; F84-R333 HydrophobicContact CD2-CG 3.97Å; F84-R333 HydrophobicContact CE2-CG 4.32Å; F84-L340 HydrophobicContact CZ-CD1 4.07Å
85	L	98.2	Very high	97.1	Very high	74 Å²	74	55.2 Å²	55.2	39%	0.387	34%	0.336	S	S	.	.	S	Bend	trans	-125.9	160.3	169	-68.2	-176.5	0	0	0	111.1	E81 K82 R83 R218	E81-L85 WeakPolarHBondContact O-CD1 3.33Å; K82-L85 PolarHBondContact O-N 3.42Å; R83-L85 PolarHBondContact O-N 3.46Å; L85-R218 PolarHBondContact O-NH1 2.92Å; L85-R218 PolarHBondContact O-NH2 2.95Å
86	P	98.6	Very high	97	Very high	75 Å²	75	58.7 Å²	58.7	49%	0.487	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-52.4	146.7	168.5	-25.6	35	0	0	0	112	L239	P86-L239 HydrophobicContact CB-CD1 4.06Å; P86-L239 HydrophobicContact CG-CD1 4.02Å
87	P	98.5	Very high	96.9	Very high	20 Å²	20	62.7 Å²	62.7	13%	0.13	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-67.9	144.5	175.6	31.7	-35.4	0	0	0	111.1	A75 L142 L239 D240 Q243	A75-P87 HydrophobicContact CB-CB 3.99Å; P87-L142 HydrophobicContact CB-CD1 4.08Å; P87-L239 HydrophobicContact CG-CB 4.3Å; P87-L239 WeakPolarHBondContact CG-O 3.43Å; P87-D240 WeakPolarHBondContact CB-OD1 3.18Å; P87-D240 WeakPolarHBondContact CG-OD1 3.41Å; P87-Q243 HydrophobicContact CB-CB 4.27Å; P87-Q243 HydrophobicContact CB-CG 4.2Å; P87-Q243 HydrophobicContact CG-CB 3.62Å; P87-Q243 HydrophobicContact CG-CG 4.05Å
88	E	98	Very high	96.9	Very high	96 Å²	96	65.4 Å²	65.4	45%	0.449	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-98.9	156.2	170.2	-69.9	174.5	-157.6	0	0	110.6	A75 A76 K82	A75-E88 CarbonylContact C-O 3.46Å; A75-E88 WeakPolarHBondContact CA-O 3.22Å; A75-E88 VanDerWaalsContact CB-O 3.32Å; A75-E88 WeakPolarHBondContact CB-O 3.32Å; A76-E88 HydrophobicContact CB-CB 4.22Å; A76-E88 PolarHBondContact N-O 2.88Å; K82-E88 WeakPolarHBondContact CE-OE1 3.36Å; K82-E88 WeakPolarHBondContact CE-OE2 3.29Å; K82-E88 VanDerWaalsContact NZ-CD 3.26Å; K82-E88 IonicContact NZ-OE1 3.72Å; K82-E88 PolarHBondContact NZ-OE1 2.79Å; K82-E88 IonicContact NZ-OE2 3.63Å; K82-E88 PolarHBondContact NZ-OE2 2.95Å
89	P	96.8	Very high	96.9	Very high	78 Å²	78	65.2 Å²	65.2	51%	0.506	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-54.6	151.2	171.2	-26.4	35.7	0	0	0	113.2	F48	F48-P89 HydrophobicContact CE1-CB 4.38Å
90	P	96.2	Very high	96.9	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.032	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-71.6	145.5	-176.2	29	-30.4	0	0	0	110.7	F48 P73 Y74 S92	F48-P90 HydrophobicContact CD1-CG 3.8Å; F48-P90 WeakPolarHBondContact CD1-O 3.39Å; F48-P90 HydrophobicContact CD2-CG 4Å; F48-P90 HydrophobicContact CE1-CG 3.77Å; F48-P90 VanDerWaalsContact CE1-O 3.31Å; F48-P90 WeakPolarHBondContact CE1-O 3.42Å; F48-P90 HydrophobicContact CE2-CG 3.97Å; F48-P90 HydrophobicContact CG-CG 3.92Å; F48-P90 HydrophobicContact CZ-CG 3.87Å; P73-P90 HydrophobicContact CB-CB 4.36Å; Y74-P90 WeakPolarHBondContact O-CD 3.44Å; P90-S92 PolarHBondContact O-N 3.39Å
91	P	93.7	Very high	96.9	Very high	91 Å²	91	68 Å²	68	59%	0.591	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-66.3	135.3	174.7	28.2	-34	0	0	0	110.7
92	S	96.4	Very high	96.9	Very high	92 Å²	92	65.2 Å²	65.2	64%	0.643	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-63.8	148.8	173.7	-49.3	0	0	0	0	111.9	F48 P90	F48-S92 CarbonylContact O-C 3.48Å; F48-S92 WeakPolarHBondContact O-CA 3.28Å; F48-S92 WeakPolarHBondContact O-CB 3.36Å; P90-S92 PolarHBondContact O-N 3.39Å
93	W	96.3	Very high	96.7	Very high	46 Å²	46	63 Å²	63	17%	0.174	36%	0.359	C	S	.	.			trans	-125.8	143.4	-179.9	59.6	86.5	0	0	0	113.2	F48 K50 L51 P73	F48-W93 HydrophobicContact CB-CE3 4.2Å; F48-W93 HydrophobicContact CB-CH2 3.82Å; F48-W93 HydrophobicContact CB-CZ3 3.61Å; F48-W93 PolarHBondContact O-N 3.42Å; K50-W93 PolarHBondContact O-NE1 3.2Å; L51-W93 HydrophobicContact CD2-CH2 4.18Å; L51-W93 HydrophobicContact CD2-CZ2 3.55Å; L51-W93 HydrophobicContact CG-CZ2 3.95Å; P73-W93 HydrophobicContact CG-CH2 4.07Å; P73-W93 HydrophobicContact CG-CZ3 3.78Å
94	S	95	Very high	96.5	Very high	123 Å²	123	64.8 Å²	64.8	86%	0.86	37%	0.372	S	S	*	.	S	Bend	trans	-82.6	144.3	171	60.7	0	0	0	0	111.7
95	G	95.6	Very high	96.4	Very high	53 Å²	53	64.8 Å²	64.8	55%	0.546	37%	0.373	S	S	.	.	S	Bend	trans	88.5	-147.3	177.6	0	0	0	0	0	112.7	K50	K50-G95 WeakPolarHBondContact CB-O 3.41Å
96	I	97.1	Very high	96.4	Very high	77 Å²	77	61.4 Å²	61.4	40%	0.395	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.6	-179.5	-55.9	173.7	0	0	0	108.1	K50 R52	K50-I96 HydrophobicContact CB-CB 4.39Å; K50-I96 HydrophobicContact CB-CG1 3.95Å; K50-I96 HydrophobicContact CB-CG2 4.44Å; K50-I96 HydrophobicContact CD-CG1 4.29Å; R52-I96 HydrophobicContact CB-CG2 3.71Å
97	R	97.3	Very high	96.3	Very high	92 Å²	92	58.4 Å²	58.4	35%	0.347	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	130.8	172	179.3	174.6	-178.6	129.6	1.5	108.9	K50 L51 R52	K50-R97 PolarHBondContact O-N 2.85Å; L51-R97 CarbonylContact C-O 3.6Å; L51-R97 VanDerWaalsContact CA-O 3.32Å; L51-R97 WeakPolarHBondContact CA-O 3.37Å; L51-R97 HydrophobicContact CD2-CB 4.24Å; L51-R97 HydrophobicContact CD2-CG 4.43Å; R52-R97 PolarHBondContact N-O 3.43Å
98	N	97.6	Very high	96.1	Very high	95 Å²	95	58.2 Å²	58.2	51%	0.508	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	136.1	171.6	-66.6	-24.1	0	0	0	109.1	R52	R52-N98 PolarHBondContact NH1-OD1 2.88Å
99	A	97.7	Very high	95.6	Very high	2 Å²	2	55.1 Å²	55.1	2%	0.017	32%	0.32	C	S	.	.			trans	-129.2	60.9	176.9	0	0	0	0	0	108.3	L51 R52 Y69 L70 V72	L51-A99 HydrophobicContact CD2-CB 4.26Å; R52-A99 PolarHBondContact O-N 2.98Å; Y69-A99 CarbonylContact C-O 3.52Å; Y69-A99 WeakPolarHBondContact CA-O 3.3Å; L70-A99 PolarHBondContact N-O 3.04Å; L70-A99 CarbonylContact O-C 3.56Å; L70-A99 WeakPolarHBondContact O-CA 3.49Å; L70-A99 WeakPolarHBondContact O-CB 3.43Å; V72-A99 HydrophobicContact CG2-CB 4.1Å
100	T	96.8	Very high	95	Very high	39 Å²	39	52 Å²	52	24%	0.239	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-117.7	-0.5	-171.1	57.4	0	0	0	0	113.5	A54	A54-T100 HydrophobicContact CB-CG2 4.16Å
101	H	95.6	Very high	93.8	Very high	144 Å²	144	59.7 Å²	59.7	67%	0.667	33%	0.334	S	S	*	.	S	Bend	trans	-145.8	144.9	-177.8	-55.2	-65.4	0	0	0	111.5	L70	L70-H101 CarbonylContact C-O 3.59Å
102	F	96.1	Very high	92.4	Very high	86 Å²	86	58.5 Å²	58.5	38%	0.377	33%	0.325	S	S	.	.			trans	-6.3	104.5	138.7	10.9	-103.3	0	0	0	118.4	L70 N145 N197	L70-F102 HydrophobicContact CB-CD1 4.15Å; L70-F102 HydrophobicContact CB-CE1 4.39Å; L70-F102 HydrophobicContact CD1-CD1 4.27Å; L70-F102 HydrophobicContact CD1-CE1 4.01Å; L70-F102 HydrophobicContact CD1-CE2 4.31Å; L70-F102 HydrophobicContact CD1-CZ 4.03Å; L70-F102 HydrophobicContact CD2-CD1 4.38Å; L70-F102 HydrophobicContact CD2-CE1 3.79Å; L70-F102 HydrophobicContact CD2-CZ 4.3Å; L70-F102 HydrophobicContact CG-CD1 4.5Å; L70-F102 HydrophobicContact CG-CE1 4.27Å; F102-N145 WeakPolarHBondContact CD1-OD1 3.46Å; F102-N145 HydrophobicContact CE1-CB 4.43Å; F102-N197 HydrophobicContact CB-CB 4.27Å; F102-N197 WeakPolarHBondContact CB-ND2 3.46Å; F102-N197 HydrophobicContact CD1-CB 3.88Å; F102-N197 WeakPolarHBondContact CD1-OD1 3.34Å; F102-N197 HydrophobicContact CD2-CB 4.3Å; F102-N197 HydrophobicContact CE1-CB 4.18Å; F102-N197 HydrophobicContact CG-CB 3.94Å
103	P	91.8	Very high	91	Very high	21 Å²	21	58.2 Å²	58.2	14%	0.136	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-82.4	167.9	160.1	35.8	-33.9	0	0	0	110.2	Y143 N197	P103-Y143 HydrophobicContact CB-CD1 4.27Å; P103-Y143 HydrophobicContact CB-CD2 3.67Å; P103-Y143 HydrophobicContact CB-CE2 4.04Å; P103-Y143 HydrophobicContact CB-CG 3.85Å; P103-Y143 VanDerWaalsContact CG-CB 3.48Å; P103-Y143 HydrophobicContact CG-CD1 4.14Å; P103-Y143 HydrophobicContact CG-CD2 3.64Å; P103-Y143 HydrophobicContact CG-CE2 4.49Å; P103-Y143 HydrophobicContact CG-CG 3.48Å; P103-Y143 VanDerWaalsContact CG-CG 3.48Å; P103-N197 PolarHBondContact O-ND2 3.28Å
104	P	94.7	Very high	89.9	Confident	50 Å²	50	57 Å²	57	33%	0.325	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-48	142.1	169.2	-31	38.4	0	0	0	113.3	E136 N138	P104-E136 WeakPolarHBondContact CB-O 3.4Å; P104-N138 HydrophobicContact CB-CB 3.55Å; P104-N138 HydrophobicContact CG-CB 4.18Å
105	V	96.6	Very high	89.3	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.012	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-82.7	163.1	172.9	-59.6	0	0	0	0	111.3	Y133 I134 P137 N138 T195	V105-Y133 VanDerWaalsContact CG1-O 3.29Å; V105-Y133 WeakPolarHBondContact CG1-O 3.4Å; V105-I134 HydrophobicContact CG2-CB 4.38Å; V105-I134 HydrophobicContact CG2-CG2 4.21Å; V105-P137 HydrophobicContact CG2-CB 4.27Å; V105-P137 WeakPolarHBondContact O-CA 3.33Å; V105-N138 PolarHBondContact O-N 3.02Å; V105-T195 HydrophobicContact CG1-CG2 4.03Å; V105-T195 WeakPolarHBondContact CG1-OG1 3.49Å
106	C	97.9	Very high	88.7	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.02	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-65.9	149	175.2	-60.3	0	0	0	0	111.8	Q108 C141 Y217 V219	C106-Q108 WeakPolarHBondContact O-CG 3.33Å; C106-Q108 PolarHBondContact O-N 3.16Å; C106-Q108 PolarHBondContact O-NE2 2.91Å; C106-C141 VanDerWaalsContact CA-CB 3.47Å; C106-C141 WeakPolarHBondContact CA-SG 3.28Å; C106-C141 HydrophobicContact CB-CB 3.8Å; C106-C141 WeakPolarHBondContact CB-SG 3.15Å; C106-C141 VanDerWaalsContact N-CB 3.35Å; C106-C141 WeakPolarHBondContact SG-CB 3.41Å; C106-C141 CovalentContact SG-SG 2.03Å; C106-C141 PolarHBondContact SG-SG 3.2Å; C106-Y217 VanDerWaalsContact SG-C 3.6Å; C106-Y217 PolarHBondContact SG-O 2.91Å; C106-V219 HydrophobicContact CB-CG2 3.99Å
107	P	97.2	Very high	88.3	Confident	12 Å²	12	52.5 Å²	52.5	8%	0.078	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-65.2	123.8	-175.7	-20.9	35.7	0	0	0	112.4	P137 N138 E139 L222 A337 V341	P107-P137 HydrophobicContact CB-CB 4.45Å; P107-N138 VanDerWaalsContact CD-O 3.31Å; P107-N138 WeakPolarHBondContact CD-O 3.38Å; P107-E139 HydrophobicContact CG-CG 3.95Å; P107-L222 HydrophobicContact CB-CD1 3.82Å; P107-L222 HydrophobicContact CG-CD1 3.64Å; P107-A337 HydrophobicContact CB-CB 4.12Å; P107-A337 HydrophobicContact CG-CB 3.98Å; P107-V341 HydrophobicContact CB-CG2 4.19Å
108	Q	93.9	Very high	87.8	Confident	15 Å²	15	48.6 Å²	48.6	7%	0.07	27%	0.267	C	S	.	.			trans	-151.7	159.8	-174.3	60.8	-164.9	-89.4	0	0	109.6	C106 I134 M192 E193 G194 V219 V341	C106-Q108 WeakPolarHBondContact O-CG 3.33Å; C106-Q108 PolarHBondContact O-N 3.16Å; C106-Q108 PolarHBondContact O-NE2 2.91Å; Q108-I134 HydrophobicContact CG-CG2 3.54Å; Q108-I134 VanDerWaalsContact OE1-CD1 3.29Å; Q108-M192 WeakPolarHBondContact CB-O 3.47Å; Q108-E193 HydrophobicContact CB-CB 4.23Å; Q108-G194 PolarHBondContact NE2-O 2.97Å; Q108-G194 PolarHBondContact OE1-O 2.82Å; Q108-V219 HydrophobicContact CB-CG2 4.01Å; Q108-V341 VanDerWaalsContact C-CG1 3.5Å
109	N	87.8	Confident	87.5	Confident	31 Å²	31	44.1 Å²	44.1	17%	0.166	24%	0.243	C	C	.	.			trans	-133.5	110.6	178.7	-179.2	9.5	0	0	0	110.9	H111 T112 V341	N109-H111 PolarHBondContact OD1-N 2.89Å; N109-T112 WeakPolarHBondContact ND2-CG2 3.44Å; N109-T112 PolarHBondContact ND2-OG1 2.83Å; N109-V341 HydrophobicContact CB-CG1 3.98Å
110	I	83.3	Confident	87.3	Confident	14 Å²	14	44.5 Å²	44.5	7%	0.072	25%	0.245	C	C	.	.			trans	-102.4	3.7	178.2	60	160.5	0	0	0	113.1	V130 A131 I134 E193	I110-V130 HydrophobicContact CD1-CG1 4.31Å; I110-A131 HydrophobicContact CD1-CB 3.77Å; I110-I134 HydrophobicContact CD1-CD1 4.13Å; I110-I134 HydrophobicContact CG2-CD1 4.11Å; I110-E193 HydrophobicContact CG2-CB 3.76Å; I110-E193 HydrophobicContact CG2-CG 3.98Å
111	H	71	Confident	87	Confident	165 Å²	165	43 Å²	43	76%	0.764	24%	0.236	S	C	*	.	S	Bend	trans	-91.2	-15	179.7	-58.5	-55.1	0	0	0	112.9	N109	N109-H111 PolarHBondContact OD1-N 2.89Å
112	T	65.6	Low	86.8	Confident	66 Å²	66	37.1 Å²	37.1	41%	0.405	21%	0.208	S	C	.	.	S	Bend	trans	-83.8	170.1	166.8	40.2	0	0	0	0	111.2	N109 V114	N109-T112 WeakPolarHBondContact ND2-CG2 3.44Å; N109-T112 PolarHBondContact ND2-OG1 2.83Å; T112-V114 PolarHBondContact O-N 2.83Å
113	A	65.8	Low	86.6	Confident	86 Å²	86	33.1 Å²	33.1	71%	0.711	19%	0.19	S	C	*	.			trans	-60.1	110.6	178.7	0	0	0	0	0	111.4
114	V	74.2	Confident	86.4	Confident	22 Å²	22	32.8 Å²	32.8	13%	0.133	19%	0.188	C	C	.	.			trans	-83.8	149.6	173.9	-66.6	0	0	0	0	110.8	T112 E116 L119	T112-V114 PolarHBondContact O-N 2.83Å; V114-E116 VanDerWaalsContact C-N 3.29Å; V114-E116 HydrophobicContact CG2-CG 4.2Å; V114-E116 PolarHBondContact O-N 2.93Å; V114-L119 HydrophobicContact CB-CD1 3.71Å; V114-L119 HydrophobicContact CG1-CD1 4.42Å; V114-L119 HydrophobicContact CG2-CD1 3.83Å
115	P	81.2	Confident	86	Confident	44 Å²	44	31.9 Å²	31.9	29%	0.286	19%	0.185	S	C	.	.			trans	-77.4	77.7	178.7	32.5	-35.3	0	0	0	110.6	V117 M118 S190	P115-V117 PolarHBondContact O-N 2.88Å; P115-M118 HydrophobicContact CB-CE 4.37Å; P115-M118 HydrophobicContact CB-CG 4.13Å; P115-M118 HydrophobicContact CB-SD 4.07Å; P115-M118 HydrophobicContact CG-CG 4.49Å; P115-M118 HydrophobicContact CG-SD 4.14Å; P115-M118 PolarHBondContact O-N 3.33Å; P115-S190 VanDerWaalsContact CG-CB 3.42Å
116	E	84.4	Confident	85.5	Confident	86 Å²	86	32.8 Å²	32.8	40%	0.402	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-51.2	-31.7	-174.5	-68.6	-172.6	-137.9	0	0	114.3	V114 M118 L119 T124 K392	V114-E116 VanDerWaalsContact C-N 3.29Å; V114-E116 HydrophobicContact CG2-CG 4.2Å; V114-E116 PolarHBondContact O-N 2.93Å; E116-M118 PolarHBondContact O-N 3.13Å; E116-L119 PolarHBondContact O-N 2.83Å; E116-T124 HydrophobicContact CB-CG2 4.24Å; E116-T124 HydrophobicContact CG-CG2 4.04Å; E116-K392 HydrophobicContact CB-CD 4.32Å; E116-K392 WeakPolarHBondContact OE2-CE 3.35Å; E116-K392 IonicContact OE2-NZ 3.82Å; E116-K392 PolarHBondContact OE2-NZ 3.34Å
117	V	87.5	Confident	85.1	Confident	27 Å²	27	35.1 Å²	35.1	16%	0.164	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-66.5	-14	177.5	-60.1	0	0	0	0	114.8	P115 Y350 K392 F458	P115-V117 PolarHBondContact O-N 2.88Å; V117-Y350 HydrophobicContact CG2-CD1 4.36Å; V117-Y350 HydrophobicContact CG2-CE1 4.4Å; V117-K392 HydrophobicContact CG1-CB 4.27Å; V117-F458 HydrophobicContact CB-CE1 4.18Å; V117-F458 HydrophobicContact CB-CZ 4.31Å; V117-F458 HydrophobicContact CG2-CZ 4.5Å
118	M	88.2	Confident	84.7	Confident	10 Å²	10	41.4 Å²	41.4	5%	0.049	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-104.8	-17.4	177	-53.9	-174.1	-174.1	0	0	112.8	P115 E116 W301 V352 H503	P115-M118 HydrophobicContact CB-CE 4.37Å; P115-M118 HydrophobicContact CB-CG 4.13Å; P115-M118 HydrophobicContact CB-SD 4.07Å; P115-M118 HydrophobicContact CG-CG 4.49Å; P115-M118 HydrophobicContact CG-SD 4.14Å; P115-M118 PolarHBondContact O-N 3.33Å; E116-M118 PolarHBondContact O-N 3.13Å; M118-W301 HydrophobicContact CE-CB 3.99Å; M118-W301 HydrophobicContact CE-CE3 3.92Å; M118-W301 HydrophobicContact CG-CD2 4.14Å; M118-W301 HydrophobicContact CG-CE3 3.6Å; M118-W301 HydrophobicContact CG-CZ3 3.82Å; M118-W301 HydrophobicContact SD-CB 4.01Å; M118-W301 HydrophobicContact SD-CD2 4.36Å; M118-W301 HydrophobicContact SD-CE3 4.09Å; M118-W301 HydrophobicContact SD-CG 4.39Å; M118-V352 HydrophobicContact SD-CG1 4.31Å; M118-H503 PolarHBondContact O-CD2 3.14Å
119	L	91.5	Very high	84.6	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.01	24%	0.243	C	C	.	.	S	Bend	trans	-94.6	148.8	-169.1	-73.6	177.2	0	0	0	112.2	V114 E116 F123 T124 G189	V114-L119 HydrophobicContact CB-CD1 3.71Å; V114-L119 HydrophobicContact CG1-CD1 4.42Å; V114-L119 HydrophobicContact CG2-CD1 3.83Å; E116-L119 PolarHBondContact O-N 2.83Å; L119-F123 HydrophobicContact CD1-CD1 4.11Å; L119-F123 HydrophobicContact CD1-CE1 4.15Å; L119-F123 HydrophobicContact CD2-CD1 4.47Å; L119-F123 HydrophobicContact CD2-CE1 4.49Å; L119-T124 HydrophobicContact CB-CG2 3.47Å; L119-T124 VanDerWaalsContact CB-CG2 3.47Å; L119-T124 HydrophobicContact CD1-CG2 3.87Å; L119-T124 HydrophobicContact CG-CG2 4.33Å; L119-G189 VanDerWaalsContact CD2-C 3.43Å
120	P	92.2	Very high	84.7	Confident	9 Å²	9	41.8 Å²	41.8	6%	0.058	24%	0.236	C	C	.	.			trans	-55.4	141.8	172.5	-26.9	35.7	0	0	0	112.4	W122 F123 T124 H503	P120-W122 VanDerWaalsContact C-N 3.3Å; P120-W122 HydrophobicContact CB-CD2 4.09Å; P120-W122 HydrophobicContact CB-CG 4.27Å; P120-W122 HydrophobicContact CB-CZ2 3.87Å; P120-W122 HydrophobicContact CG-CZ2 4.01Å; P120-W122 PolarHBondContact O-N 2.76Å; P120-F123 HydrophobicContact CB-CB 4.12Å; P120-F123 WeakPolarHBondContact O-CB 3.42Å; P120-F123 PolarHBondContact O-N 2.84Å; P120-T124 PolarHBondContact O-N 2.87Å; P120-T124 VanDerWaalsContact O-N 3.11Å; P120-T124 PolarHBondContact O-OG1 3.47Å; P120-H503 WeakPolarHBondContact CA-O 3.36Å
121	V	91.6	Very high	85.1	Confident	8 Å²	8	42.3 Å²	42.3	5%	0.048	24%	0.243	C	C	.	.	H	α-helix	trans	-63.9	-37.4	-177.5	179.5	0	0	0	0	111.3	F123 T124 A125 L391 K495 A502 H503	V121-F123 VanDerWaalsContact C-N 3.26Å; V121-F123 PolarHBondContact O-N 2.73Å; V121-T124 PolarHBondContact O-OG1 2.75Å; V121-A125 WeakPolarHBondContact O-CB 3.4Å; V121-A125 PolarHBondContact O-N 3.19Å; V121-L391 HydrophobicContact CG2-CD2 4.27Å; V121-K495 HydrophobicContact CG1-CD 4.03Å; V121-K495 HydrophobicContact CG1-CG 3.83Å; V121-A502 HydrophobicContact CG2-CB 3.74Å; V121-H503 PolarHBondContact N-O 3.49Å
122	W	90.6	Very high	86.1	Confident	20 Å²	20	37.8 Å²	37.8	8%	0.076	23%	0.227	C	C	.	.	H	α-helix	trans	-65.5	-26.6	175.5	58.4	-101.4	0	0	0	113.5	P120 N126 M198 G504 V507 L521 F522	P120-W122 VanDerWaalsContact C-N 3.3Å; P120-W122 HydrophobicContact CB-CD2 4.09Å; P120-W122 HydrophobicContact CB-CG 4.27Å; P120-W122 HydrophobicContact CB-CZ2 3.87Å; P120-W122 HydrophobicContact CG-CZ2 4.01Å; P120-W122 PolarHBondContact O-N 2.76Å; W122-N126 WeakPolarHBondContact O-CB 3.3Å; W122-N126 PolarHBondContact O-N 3.39Å; W122-N126 PolarHBondContact O-ND2 3.09Å; W122-M198 HydrophobicContact CH2-CE 3.92Å; W122-M198 HydrophobicContact CH2-CG 4.45Å; W122-M198 HydrophobicContact CH2-SD 3.92Å; W122-M198 HydrophobicContact CZ3-SD 4.21Å; W122-G504 VanDerWaalsContact CD1-O 3.25Å; W122-G504 PolarHBondContact NE1-O 2.91Å; W122-G504 VanDerWaalsContact NE1-O 3.11Å; W122-V507 HydrophobicContact CZ2-CG1 4.4Å; W122-L521 HydrophobicContact CE3-CD1 4.02Å; W122-L521 HydrophobicContact CE3-CD2 4.42Å; W122-L521 HydrophobicContact CE3-CG 4.12Å; W122-L521 HydrophobicContact CZ3-CD1 4.06Å; W122-L521 HydrophobicContact CZ3-CD2 4.09Å; W122-L521 HydrophobicContact CZ3-CG 4.23Å; W122-F522 HydrophobicContact CB-CD1 4.09Å; W122-F522 HydrophobicContact CB-CE1 4.06Å; W122-F522 AromaticContact CD1-CE1 3.82Å; W122-F522 HydrophobicContact CD2-CD1 4.43Å; W122-F522 AromaticContact CD2-CE1 3.58Å; W122-F522 HydrophobicContact CD2-CE1 3.58Å; W122-F522 HydrophobicContact CD2-CZ 4.11Å; W122-F522 AromaticContact CE2-CE1 3.93Å; W122-F522 HydrophobicContact CE3-CE1 4.06Å; W122-F522 HydrophobicContact CE3-CZ 4.28Å; W122-F522 HydrophobicContact CG-CD1 4.09Å; W122-F522 AromaticContact CG-CE1 3.56Å; W122-F522 HydrophobicContact CG-CE1 3.56Å; W122-F522 AromaticContact NE1-CE1 3.99Å
123	F	91.7	Very high	87.3	Confident	3 Å²	3	38.5 Å²	38.5	1%	0.013	22%	0.223	C	C	.	.	H	α-helix	trans	-77.1	-51.5	178.5	-173.3	-76.2	0	0	0	110.3	L119 P120 V121 A125 N126 L127 V130 E193 M198	L119-F123 HydrophobicContact CD1-CD1 4.11Å; L119-F123 HydrophobicContact CD1-CE1 4.15Å; L119-F123 HydrophobicContact CD2-CD1 4.47Å; L119-F123 HydrophobicContact CD2-CE1 4.49Å; P120-F123 HydrophobicContact CB-CB 4.12Å; P120-F123 WeakPolarHBondContact O-CB 3.42Å; P120-F123 PolarHBondContact O-N 2.84Å; V121-F123 VanDerWaalsContact C-N 3.26Å; V121-F123 PolarHBondContact O-N 2.73Å; F123-A125 PolarHBondContact O-N 2.73Å; F123-N126 PolarHBondContact O-N 3.12Å; F123-L127 HydrophobicContact CD1-CD2 4.11Å; F123-L127 HydrophobicContact CE1-CD2 4.05Å; F123-L127 PolarHBondContact O-N 2.81Å; F123-V130 HydrophobicContact CD1-CG1 4.35Å; F123-V130 HydrophobicContact CD2-CG1 4.01Å; F123-V130 HydrophobicContact CD2-CG2 4.1Å; F123-V130 HydrophobicContact CE1-CG1 3.91Å; F123-V130 HydrophobicContact CE2-CG1 3.54Å; F123-V130 HydrophobicContact CE2-CG2 4.46Å; F123-V130 HydrophobicContact CG-CG1 4.4Å; F123-V130 HydrophobicContact CG-CG2 4.18Å; F123-V130 HydrophobicContact CZ-CG1 3.49Å; F123-V130 VanDerWaalsContact CZ-CG1 3.49Å; F123-E193 HydrophobicContact CE1-CG 4.13Å; F123-E193 HydrophobicContact CZ-CG 3.77Å; F123-M198 HydrophobicContact CD2-SD 4.25Å; F123-M198 HydrophobicContact CE2-SD 4.17Å
124	T	88.2	Confident	88.4	Confident	14 Å²	14	35 Å²	35	9%	0.086	19%	0.192	C	C	.	.	H	α-helix	trans	-68	-32.5	179.4	53.4	0	0	0	0	113.1	E116 L119 P120 V121	E116-T124 HydrophobicContact CB-CG2 4.24Å; E116-T124 HydrophobicContact CG-CG2 4.04Å; L119-T124 HydrophobicContact CB-CG2 3.47Å; L119-T124 VanDerWaalsContact CB-CG2 3.47Å; L119-T124 HydrophobicContact CD1-CG2 3.87Å; L119-T124 HydrophobicContact CG-CG2 4.33Å; P120-T124 PolarHBondContact O-N 2.87Å; P120-T124 VanDerWaalsContact O-N 3.11Å; P120-T124 PolarHBondContact O-OG1 3.47Å; V121-T124 PolarHBondContact O-OG1 2.75Å
125	A	86.1	Confident	88.7	Confident	31 Å²	31	39.9 Å²	39.9	26%	0.256	21%	0.213	S	C	.	.	H	α-helix	trans	-67.9	-38.9	175.4	0	0	0	0	0	112.5	V121 F123 M494	V121-A125 WeakPolarHBondContact O-CB 3.4Å; V121-A125 PolarHBondContact O-N 3.19Å; F123-A125 PolarHBondContact O-N 2.73Å; A125-M494 HydrophobicContact CB-CB 4.02Å; A125-M494 HydrophobicContact CB-CE 3.89Å; A125-M494 HydrophobicContact CB-SD 3.91Å; A125-M494 WeakPolarHBondContact O-CE 3.34Å
126	N	86.4	Confident	88.8	Confident	20 Å²	20	45.8 Å²	45.8	11%	0.107	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	39.7	-170.8	-59.2	-68.6	0	0	0	113.2	W122 F123 D128 I129 V130 M494 L521	W122-N126 WeakPolarHBondContact O-CB 3.3Å; W122-N126 PolarHBondContact O-N 3.39Å; W122-N126 PolarHBondContact O-ND2 3.09Å; F123-N126 PolarHBondContact O-N 3.12Å; N126-D128 PolarHBondContact O-N 3.12Å; N126-D128 VanDerWaalsContact O-N 3.14Å; N126-I129 HydrophobicContact CB-CB 4.31Å; N126-I129 PolarHBondContact O-N 3.37Å; N126-V130 WeakPolarHBondContact O-CG2 3.29Å; N126-V130 PolarHBondContact O-N 2.74Å; N126-M494 PolarHBondContact OD1-SD 3.29Å; N126-L521 PolarHBondContact ND2-O 2.91Å
127	L	88.4	Confident	89.2	Confident	52 Å²	52	44.9 Å²	44.9	27%	0.272	24%	0.238	S	C	.	.	H	α-helix	trans	-53.9	-35.4	-175.8	-74.7	174	0	0	0	113.8	F123 I129 V130 A131	F123-L127 HydrophobicContact CD1-CD2 4.11Å; F123-L127 HydrophobicContact CE1-CD2 4.05Å; F123-L127 PolarHBondContact O-N 2.81Å; L127-I129 VanDerWaalsContact C-N 3.33Å; L127-I129 PolarHBondContact O-N 3.39Å; L127-V130 PolarHBondContact O-N 2.97Å; L127-A131 VanDerWaalsContact O-CB 3.29Å; L127-A131 WeakPolarHBondContact O-CB 3.33Å; L127-A131 PolarHBondContact O-N 3.01Å
128	D	89	Confident	89.6	Confident	144 Å²	144	47.3 Å²	47.3	77%	0.77	25%	0.251	S	S	*	.	H	α-helix	trans	-62.3	-38.3	175.6	-69.6	-29.5	0	0	0	112.6	N126	N126-D128 PolarHBondContact O-N 3.12Å; N126-D128 VanDerWaalsContact O-N 3.14Å
129	I	91.1	Very high	90.1	Very high	51 Å²	51	48.5 Å²	48.5	26%	0.262	26%	0.256	S	S	.	.	H	α-helix	trans	-77.3	-42.9	177.1	-57.5	-58.1	0	0	0	110.3	N126 L127 A131 T132 Y133 D520 L521	N126-I129 HydrophobicContact CB-CB 4.31Å; N126-I129 PolarHBondContact O-N 3.37Å; L127-I129 VanDerWaalsContact C-N 3.33Å; L127-I129 PolarHBondContact O-N 3.39Å; I129-A131 PolarHBondContact O-N 3.43Å; I129-T132 WeakPolarHBondContact O-CA 3.05Å; I129-T132 WeakPolarHBondContact O-CB 3.16Å; I129-T132 PolarHBondContact O-N 3.26Å; I129-T132 PolarHBondContact O-OG1 3.34Å; I129-Y133 HydrophobicContact CG2-CE2 4.13Å; I129-Y133 WeakPolarHBondContact O-CD2 3.42Å; I129-D520 HydrophobicContact CD1-CB 4.29Å; I129-D520 HydrophobicContact CG1-CB 4.49Å; I129-D520 HydrophobicContact CG2-CB 3.93Å; I129-L521 HydrophobicContact CG2-CB 4.4Å; I129-L521 HydrophobicContact CG2-CD1 4.45Å
130	V	91.1	Very high	90.4	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-56	-39.7	173.9	168.6	0	0	0	0	110.9	I110 F123 N126 L127 T132 Y133 I134 L521	I110-V130 HydrophobicContact CD1-CG1 4.31Å; F123-V130 HydrophobicContact CD1-CG1 4.35Å; F123-V130 HydrophobicContact CD2-CG1 4.01Å; F123-V130 HydrophobicContact CD2-CG2 4.1Å; F123-V130 HydrophobicContact CE1-CG1 3.91Å; F123-V130 HydrophobicContact CE2-CG1 3.54Å; F123-V130 HydrophobicContact CE2-CG2 4.46Å; F123-V130 HydrophobicContact CG-CG1 4.4Å; F123-V130 HydrophobicContact CG-CG2 4.18Å; F123-V130 HydrophobicContact CZ-CG1 3.49Å; F123-V130 VanDerWaalsContact CZ-CG1 3.49Å; N126-V130 WeakPolarHBondContact O-CG2 3.29Å; N126-V130 PolarHBondContact O-N 2.74Å; L127-V130 PolarHBondContact O-N 2.97Å; V130-T132 PolarHBondContact O-N 3.49Å; V130-Y133 PolarHBondContact O-N 2.98Å; V130-I134 HydrophobicContact CG1-CD1 3.63Å; V130-I134 PolarHBondContact O-N 3.3Å; V130-L521 HydrophobicContact CG2-CD1 3.67Å
131	A	90.8	Very high	90.6	Very high	25 Å²	25	50.3 Å²	50.3	21%	0.207	27%	0.265	C	S	.	.	H	α-helix	trans	-59.5	-26.9	173.8	0	0	0	0	0	113.5	I110 L127 I129 I134 Q135	I110-A131 HydrophobicContact CD1-CB 3.77Å; L127-A131 VanDerWaalsContact O-CB 3.29Å; L127-A131 WeakPolarHBondContact O-CB 3.33Å; L127-A131 PolarHBondContact O-N 3.01Å; I129-A131 PolarHBondContact O-N 3.43Å; A131-I134 PolarHBondContact O-N 3.4Å; A131-Q135 WeakPolarHBondContact O-CG 3.44Å; A131-Q135 PolarHBondContact O-N 2.99Å
132	T	92.1	Very high	91	Very high	70 Å²	70	50 Å²	50	43%	0.429	26%	0.263	S	S	.	.	H	α-helix	trans	-70	-30.9	174.7	73.1	0	0	0	0	113.2	I129 V130 I134 Q135	I129-T132 WeakPolarHBondContact O-CA 3.05Å; I129-T132 WeakPolarHBondContact O-CB 3.16Å; I129-T132 PolarHBondContact O-N 3.26Å; I129-T132 PolarHBondContact O-OG1 3.34Å; V130-T132 PolarHBondContact O-N 3.49Å; T132-I134 VanDerWaalsContact C-N 3.32Å; T132-Q135 WeakPolarHBondContact O-CG 3.41Å
133	Y	91	Very high	91.4	Very high	81 Å²	81	49.9 Å²	49.9	32%	0.318	26%	0.263	S	S	.	.	H	α-helix	trans	-78.6	-17.4	174.9	-69.7	-90	0	0	0	113	V105 I129 V130 M198	V105-Y133 VanDerWaalsContact CG1-O 3.29Å; V105-Y133 WeakPolarHBondContact CG1-O 3.4Å; I129-Y133 HydrophobicContact CG2-CE2 4.13Å; I129-Y133 WeakPolarHBondContact O-CD2 3.42Å; V130-Y133 PolarHBondContact O-N 2.98Å; Y133-M198 HydrophobicContact CD1-CB 4.18Å; Y133-M198 HydrophobicContact CG-CB 4.16Å
134	I	89.1	Confident	91.7	Very high	13 Å²	13	49.7 Å²	49.7	7%	0.067	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	7.3	-174.6	-66.3	164.4	0	0	0	111.8	V105 Q108 I110 V130 A131 T132 T195	V105-I134 HydrophobicContact CG2-CB 4.38Å; V105-I134 HydrophobicContact CG2-CG2 4.21Å; Q108-I134 HydrophobicContact CG-CG2 3.54Å; Q108-I134 VanDerWaalsContact OE1-CD1 3.29Å; I110-I134 HydrophobicContact CD1-CD1 4.13Å; I110-I134 HydrophobicContact CG2-CD1 4.11Å; V130-I134 HydrophobicContact CG1-CD1 3.63Å; V130-I134 PolarHBondContact O-N 3.3Å; A131-I134 PolarHBondContact O-N 3.4Å; T132-I134 VanDerWaalsContact C-N 3.32Å; I134-T195 HydrophobicContact CG1-CG2 4.39Å
135	Q	80.3	Confident	92.2	Very high	124 Å²	124	49 Å²	49	58%	0.579	26%	0.258	S	S	*	.			trans	-62.5	148.9	178.6	-62.1	-174.8	-1.5	0	0	112.3	A131 T132	A131-Q135 WeakPolarHBondContact O-CG 3.44Å; A131-Q135 PolarHBondContact O-N 2.99Å; T132-Q135 WeakPolarHBondContact O-CG 3.41Å
136	E	83.1	Confident	92.8	Very high	169 Å²	169	47.6 Å²	47.6	79%	0.79	25%	0.246	S	C	*	.	S	Bend	trans	51.9	54.7	176.4	-54.7	-170.6	164.8	0	0	115.1	P104	P104-E136 WeakPolarHBondContact CB-O 3.4Å
137	P	92.8	Very high	93.4	Very high	66 Å²	66	46.7 Å²	46.7	43%	0.429	24%	0.241	S	C	.	.			trans	-61.6	143.5	-179.8	23.9	-32.8	0	0	0	113	V105 P107	V105-P137 HydrophobicContact CG2-CB 4.27Å; V105-P137 WeakPolarHBondContact O-CA 3.33Å; P107-P137 HydrophobicContact CB-CB 4.45Å
138	N	96.6	Very high	93.9	Very high	78 Å²	78	45 Å²	45	42%	0.417	23%	0.233	S	C	.	.			trans	-141.6	149.2	179.2	-158.5	-50.2	0	0	0	110.8	P104 V105 P107 D140 C141	P104-N138 HydrophobicContact CB-CB 3.55Å; P104-N138 HydrophobicContact CG-CB 4.18Å; V105-N138 PolarHBondContact O-N 3.02Å; P107-N138 VanDerWaalsContact CD-O 3.31Å; P107-N138 WeakPolarHBondContact CD-O 3.38Å; N138-D140 VanDerWaalsContact C-N 3.26Å; N138-D140 PolarHBondContact O-N 3.07Å; N138-D140 PolarHBondContact OD1-N 3.1Å; N138-C141 WeakPolarHBondContact O-CB 3.43Å
139	E	97.8	Very high	94.2	Very high	35 Å²	35	38.4 Å²	38.4	16%	0.164	20%	0.198	C	C	.	.	S	Bend	trans	-68.3	-27	172.6	-70.2	179.7	-113.1	0	0	112.3	P78 I79 R83 P107 C141 L222 A337	P78-E139 VanDerWaalsContact CD-O 3.32Å; P78-E139 WeakPolarHBondContact CD-O 3.31Å; P78-E139 WeakPolarHBondContact CG-O 3.38Å; I79-E139 HydrophobicContact CG2-CB 3.64Å; R83-E139 IonicContact CZ-OE1 3.6Å; R83-E139 IonicContact CZ-OE2 2.75Å; R83-E139 VanDerWaalsContact CZ-OE2 3.31Å; R83-E139 IonicContact NE-OE1 3.39Å; R83-E139 IonicContact NE-OE2 3.52Å; R83-E139 PolarHBondContact NE-OE2 2.88Å; R83-E139 VanDerWaalsContact NH2-CD 3.28Å; R83-E139 IonicContact NH2-OE1 2.73Å; R83-E139 PolarHBondContact NH2-OE1 3.49Å; R83-E139 IonicContact NH2-OE2 3.68Å; R83-E139 PolarHBondContact NH2-OE2 3.02Å; P107-E139 HydrophobicContact CG-CG 3.95Å; E139-C141 VanDerWaalsContact C-N 3.28Å; E139-C141 PolarHBondContact O-N 2.95Å; E139-L222 HydrophobicContact CG-CD1 4.15Å; E139-A337 HydrophobicContact CG-CB 3.54Å; E139-A337 VanDerWaalsContact OE1-CB 3.27Å; E139-A337 WeakPolarHBondContact OE1-CB 3.33Å
140	D	97.9	Very high	94.1	Very high	49 Å²	49	36.9 Å²	36.9	26%	0.262	19%	0.191	S	C	.	.			trans	-73.9	83.3	164	-174	-1.4	0	0	0	109.5	P77 N138 Y143	P77-D140 HydrophobicContact CB-CB 4Å; P77-D140 HydrophobicContact CG-CB 4.34Å; N138-D140 VanDerWaalsContact C-N 3.26Å; N138-D140 PolarHBondContact O-N 3.07Å; N138-D140 PolarHBondContact OD1-N 3.1Å; D140-Y143 WeakPolarHBondContact OD1-CE2 3.3Å; D140-Y143 VanDerWaalsContact OD1-CZ 3.31Å; D140-Y143 PolarHBondContact OD1-OH 3.38Å; D140-Y143 PolarHBondContact OD2-OH 3.09Å
141	C	98	Very high	93	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.221	C	C	.	.			trans	-132.2	3.1	-175.7	67.2	0	0	0	0	115.3	C106 N138 E139 Y143 N216	C106-C141 VanDerWaalsContact CA-CB 3.47Å; C106-C141 WeakPolarHBondContact CA-SG 3.28Å; C106-C141 HydrophobicContact CB-CB 3.8Å; C106-C141 WeakPolarHBondContact CB-SG 3.15Å; C106-C141 VanDerWaalsContact N-CB 3.35Å; C106-C141 WeakPolarHBondContact SG-CB 3.41Å; C106-C141 CovalentContact SG-SG 2.03Å; C106-C141 PolarHBondContact SG-SG 3.2Å; N138-C141 WeakPolarHBondContact O-CB 3.43Å; E139-C141 VanDerWaalsContact C-N 3.28Å; E139-C141 PolarHBondContact O-N 2.95Å; C141-Y143 VanDerWaalsContact C-N 3.25Å; C141-Y143 PolarHBondContact O-N 3.42Å; C141-N216 WeakPolarHBondContact O-CB 3.16Å
142	L	98.7	Very high	91.2	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	24%	0.235	C	C	.	.			trans	-79.6	71	-174.7	-57.7	-171.6	0	0	0	112.5	Y74 A75 P78 P87 R218 D240	Y74-L142 WeakPolarHBondContact CD1-O 3.29Å; Y74-L142 HydrophobicContact CE1-CB 4.23Å; Y74-L142 HydrophobicContact CE2-CB 4.19Å; Y74-L142 PolarHBondContact N-O 3.36Å; A75-L142 HydrophobicContact CB-CB 3.92Å; A75-L142 HydrophobicContact CB-CD1 3.64Å; A75-L142 HydrophobicContact CB-CG 4.44Å; P78-L142 HydrophobicContact CB-CD1 4.24Å; P78-L142 HydrophobicContact CG-CD1 3.85Å; P78-L142 HydrophobicContact CG-CG 3.99Å; P87-L142 HydrophobicContact CB-CD1 4.08Å; L142-R218 HydrophobicContact CD2-CG 4.15Å; L142-D240 HydrophobicContact CD2-CB 4.24Å; L142-D240 WeakPolarHBondContact CD2-OD2 3.16Å
143	Y	98.6	Very high	88.9	Confident	17 Å²	17	44.3 Å²	44.3	7%	0.067	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	151.2	-176.1	-62.6	-84.5	0	0	0	112.4	G71 V72 P73 P103 D140 C141 N216	G71-Y143 WeakPolarHBondContact O-CD1 3.19Å; V72-Y143 WeakPolarHBondContact O-CA 3.38Å; P73-Y143 HydrophobicContact CB-CD1 3.98Å; P73-Y143 HydrophobicContact CB-CE1 3.69Å; P73-Y143 HydrophobicContact CG-CE1 4.32Å; P103-Y143 HydrophobicContact CB-CD1 4.27Å; P103-Y143 HydrophobicContact CB-CD2 3.67Å; P103-Y143 HydrophobicContact CB-CE2 4.04Å; P103-Y143 HydrophobicContact CB-CG 3.85Å; P103-Y143 VanDerWaalsContact CG-CB 3.48Å; P103-Y143 HydrophobicContact CG-CD1 4.14Å; P103-Y143 HydrophobicContact CG-CD2 3.64Å; P103-Y143 HydrophobicContact CG-CE2 4.49Å; P103-Y143 HydrophobicContact CG-CG 3.48Å; P103-Y143 VanDerWaalsContact CG-CG 3.48Å; D140-Y143 WeakPolarHBondContact OD1-CE2 3.3Å; D140-Y143 VanDerWaalsContact OD1-CZ 3.31Å; D140-Y143 PolarHBondContact OD1-OH 3.38Å; D140-Y143 PolarHBondContact OD2-OH 3.09Å; C141-Y143 VanDerWaalsContact C-N 3.25Å; C141-Y143 PolarHBondContact O-N 3.42Å; Y143-N216 PolarHBondContact O-N 3.3Å
144	L	98.8	Very high	86.2	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	161.6	170.8	61.6	79.6	0	0	0	111.6	G71 V72 Y74 V146 I213 T214 L215 A244 W247 V248	G71-L144 PolarHBondContact N-O 2.91Å; V72-L144 HydrophobicContact CB-CD1 3.97Å; V72-L144 WeakPolarHBondContact CB-O 3.5Å; V72-L144 HydrophobicContact CG1-CD1 4.4Å; V72-L144 PolarHBondContact N-O 2.81Å; V72-L144 PolarHBondContact O-N 2.9Å; Y74-L144 HydrophobicContact CD1-CB 4.02Å; Y74-L144 HydrophobicContact CD1-CD2 3.9Å; Y74-L144 HydrophobicContact CD1-CG 4Å; Y74-L144 HydrophobicContact CG-CD2 4.06Å; L144-V146 HydrophobicContact CD1-CG2 3.56Å; L144-I213 HydrophobicContact CB-CG2 4.17Å; L144-I213 HydrophobicContact CD1-CG2 4.18Å; L144-I213 HydrophobicContact CD2-CG2 4.46Å; L144-T214 CarbonylContact C-O 3.58Å; L144-T214 VanDerWaalsContact CA-O 3.3Å; L144-T214 WeakPolarHBondContact CA-O 3.48Å; L144-T214 WeakPolarHBondContact CB-O 3.28Å; L144-L215 HydrophobicContact CB-CB 3.84Å; L144-A244 HydrophobicContact CD2-CB 4.3Å; L144-W247 HydrophobicContact CD1-CE3 4.17Å; L144-W247 HydrophobicContact CD1-CH2 4.19Å; L144-W247 HydrophobicContact CD1-CZ3 3.77Å; L144-W247 HydrophobicContact CD2-CD2 4.26Å; L144-W247 HydrophobicContact CD2-CE3 3.72Å; L144-W247 HydrophobicContact CD2-CZ3 4.17Å; L144-W247 HydrophobicContact CG-CE3 4.49Å; L144-V248 HydrophobicContact CD2-CG2 4.16Å
145	N	98.8	Very high	83.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129	-178	-53	-55.1	0	0	0	108.4	Y69 L70 G71 F102 Y147 N197 I213 T214	Y69-N145 CarbonylContact O-C 3.52Å; Y69-N145 VanDerWaalsContact O-CA 3.32Å; Y69-N145 WeakPolarHBondContact O-CA 3.27Å; L70-N145 WeakPolarHBondContact CA-OD1 3.49Å; L70-N145 HydrophobicContact CD2-CB 3.95Å; G71-N145 PolarHBondContact N-OD1 2.87Å; F102-N145 WeakPolarHBondContact CD1-OD1 3.46Å; F102-N145 HydrophobicContact CE1-CB 4.43Å; N145-Y147 HydrophobicContact CB-CE2 3.84Å; N145-N197 PolarHBondContact ND2-OD1 3.38Å; N145-I213 VanDerWaalsContact O-CA 3.24Å; N145-I213 WeakPolarHBondContact O-CA 3.32Å; N145-I213 WeakPolarHBondContact O-CG2 3.43Å; N145-T214 PolarHBondContact N-O 3.4Å; N145-T214 PolarHBondContact ND2-OG1 2.84Å; N145-T214 VanDerWaalsContact ND2-OG1 3.12Å; N145-T214 PolarHBondContact O-N 3.01Å
146	V	98.8	Very high	82	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.2	-178.7	-170.2	0	0	0	0	110.1	Q68 Y69 L144 V148 I211 I213 I252 F255	Q68-V146 WeakPolarHBondContact CA-O 3.34Å; Y69-V146 PolarHBondContact N-O 2.86Å; Y69-V146 PolarHBondContact O-N 3.31Å; L144-V146 HydrophobicContact CD1-CG2 3.56Å; V146-V148 HydrophobicContact CG1-CG2 3.84Å; V146-I211 HydrophobicContact CG1-CG2 3.58Å; V146-I213 HydrophobicContact CG1-CG1 4.33Å; V146-I213 HydrophobicContact CG2-CG1 4.46Å; V146-I252 HydrophobicContact CG1-CD1 4.06Å; V146-F255 HydrophobicContact CB-CE1 4.5Å; V146-F255 HydrophobicContact CG1-CD1 4.1Å; V146-F255 HydrophobicContact CG1-CG 4.37Å
147	Y	98.8	Very high	79.9	Confident	1 Å²	1	45.2 Å²	45.2	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	104.6	-179.7	-60	-95.9	0	0	0	109	V66 Q68 L70 N145 D200 S202 I211 V212 T214	V66-Y147 HydrophobicContact CG1-CD1 4.49Å; Q68-Y147 HydrophobicContact CG-CD1 3.92Å; Q68-Y147 HydrophobicContact CG-CE1 4.18Å; L70-Y147 HydrophobicContact CD2-CE1 4.25Å; N145-Y147 HydrophobicContact CB-CE2 3.84Å; Y147-D200 VanDerWaalsContact CE1-OD1 3.27Å; Y147-D200 WeakPolarHBondContact CE1-OD1 3.05Å; Y147-S202 VanDerWaalsContact CD1-OG 3.25Å; Y147-S202 WeakPolarHBondContact CD1-OG 3.42Å; Y147-I211 WeakPolarHBondContact O-CA 3.4Å; Y147-V212 PolarHBondContact N-O 3.24Å; Y147-V212 PolarHBondContact O-N 3.47Å; Y147-V212 VanDerWaalsContact O-N 3.09Å; Y147-T214 HydrophobicContact CE2-CG2 4.22Å
148	V	98.1	Very high	77.2	Confident	16 Å²	16	51.6 Å²	51.6	10%	0.097	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120	-175	-173	0	0	0	0	110.2	V66 D67 Y69 V146 I211 F255	V66-V148 CarbonylContact C-O 3.58Å; V66-V148 WeakPolarHBondContact CA-O 3.31Å; V66-V148 WeakPolarHBondContact CG1-O 3.14Å; D67-V148 HydrophobicContact CB-CB 4.36Å; D67-V148 PolarHBondContact N-O 3.48Å; D67-V148 PolarHBondContact O-N 2.98Å; Y69-V148 HydrophobicContact CD2-CG2 4.37Å; Y69-V148 HydrophobicContact CE2-CG2 4.17Å; V146-V148 HydrophobicContact CG1-CG2 3.84Å; V148-I211 HydrophobicContact CG1-CD1 4.33Å; V148-I211 HydrophobicContact CG1-CG1 4.31Å; V148-I211 HydrophobicContact CG2-CD1 4.34Å; V148-I211 HydrophobicContact CG2-CG1 4.47Å; V148-I211 HydrophobicContact CG2-CG2 4.38Å; V148-F255 HydrophobicContact CG2-CB 4.06Å; V148-F255 HydrophobicContact CG2-CD1 4.2Å
149	P	95.9	Very high	74.2	Confident	7 Å²	7	57.1 Å²	57.1	5%	0.045	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	134.7	178.2	30.5	-33	0	0	0	110.8	K180 A205 V210	P149-K180 HydrophobicContact CG-CD 3.78Å; P149-A205 WeakPolarHBondContact CB-O 3.27Å; P149-V210 VanDerWaalsContact CD-O 3.25Å; P149-V210 WeakPolarHBondContact CD-O 3.46Å; P149-V210 WeakPolarHBondContact CG-O 3.41Å
150	T	89.7	Confident	71.3	Confident	19 Å²	19	59.2 Å²	59.2	12%	0.117	35%	0.347	C	S	.	.			trans	-83.6	156.3	176.1	68.4	0	0	0	0	111.7	P65 D152	P65-T150 WeakPolarHBondContact CD-OG1 3.1Å; P65-T150 HydrophobicContact CG-CG2 4.47Å; P65-T150 WeakPolarHBondContact CG-OG1 3.19Å; P65-T150 WeakPolarHBondContact O-CB 3.38Å; P65-T150 VanDerWaalsContact O-CG2 3.29Å; P65-T150 WeakPolarHBondContact O-CG2 3.06Å; P65-T150 PolarHBondContact O-N 2.8Å; P65-T150 VanDerWaalsContact O-N 3.13Å; P65-T150 PolarHBondContact O-OG1 2.86Å; T150-D152 PolarHBondContact O-N 3.06Å
151	E	67.9	Low	68.7	Low	138 Å²	138	65.8 Å²	65.8	65%	0.645	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-5.8	177.7	-59.5	-178.1	160.7	0	0	113.4	G153	E151-G153 PolarHBondContact O-N 3.48Å; E151-G153 VanDerWaalsContact O-N 3.15Å
152	D	53.5	Low	66.1	Low	94 Å²	94	73.4 Å²	73.4	50%	0.503	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	10.1	-177.5	-64.9	-49.5	0	0	0	113.4	R55 T150 S154	R55-D152 IonicContact NH1-OD2 2.66Å; R55-D152 PolarHBondContact NH1-OD2 3.1Å; T150-D152 PolarHBondContact O-N 3.06Å; D152-S154 PolarHBondContact O-N 2.89Å
153	G	42	Very low	63.2	Low	22 Å²	22	81.6 Å²	81.6	23%	0.227	46%	0.46	C	S	.	.			trans	-60.2	125.5	169.3	0	0	0	0	0	111.5	E151 G155 A156	E151-G153 PolarHBondContact O-N 3.48Å; E151-G153 VanDerWaalsContact O-N 3.15Å; G153-G155 PolarHBondContact O-N 2.77Å; G153-A156 PolarHBondContact O-N 2.78Å; G153-A156 VanDerWaalsContact O-N 3.13Å
154	S	34.8	Very low	60.7	Low	90 Å²	90	85.4 Å²	85.4	63%	0.629	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	10.1	-165.4	52.5	0	0	0	0	116.4	E61 D152	E61-S154 PolarHBondContact O-OG 3.45Å; D152-S154 PolarHBondContact O-N 2.89Å
155	G	40.1	Very low	57.8	Low	76 Å²	76	93.2 Å²	93.2	78%	0.784	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-13.1	168.4	0	0	0	0	0	115.1	G153	G153-G155 PolarHBondContact O-N 2.77Å
156	A	41.3	Very low	55.3	Low	69 Å²	69	100.8 Å²	100.8	57%	0.57	58%	0.577	S	S	*	*	S	Bend	trans	-91.3	-10.4	-172.1	0	0	0	0	0	115.6	G153	G153-A156 PolarHBondContact O-N 2.78Å; G153-A156 VanDerWaalsContact O-N 3.13Å
157	K	38.6	Very low	52.5	Low	170 Å²	170	108.9 Å²	108.9	74%	0.739	62%	0.62	S	S	*	*	S	Bend	trans	-133.7	77.6	-174.7	-73.7	179.1	-180	162.5	0	113.3
158	K	35.9	Very low	50	Low	200 Å²	200	112.4 Å²	112.4	87%	0.87	66%	0.658	S	S	*	*	S	Bend	trans	174.1	125.5	159.7	-99.6	160.2	-174	178.5	0	107.1
159	Q	35	Very low	47.1	Very low	195 Å²	195	119 Å²	119	91%	0.911	69%	0.692	S	S	*	*	S	Bend	cis	-130.4	143.6	-0.3	-69.8	161.6	-53.1	0	0	108.2
160	G	35.9	Very low	44.5	Very low	79 Å²	79	128.1 Å²	128.1	81%	0.814	73%	0.734	S	S	*	*			trans	-172.5	20.3	-176.3	0	0	0	0	0	114.6
161	E	42.7	Very low	42	Very low	186 Å²	186	134.5 Å²	134.5	87%	0.869	77%	0.768	S	S	*	*			trans	-127.1	90.1	167.6	-75.2	-172.3	153	0	0	107.1
162	D	43.4	Very low	40.6	Very low	161 Å²	161	136 Å²	136	86%	0.861	77%	0.774	S	S	*	*	S	Bend	trans	163.6	129.9	137.7	-85.8	-19.3	0	0	0	109.4
163	L	39.1	Very low	39.8	Very low	174 Å²	174	136.5 Å²	136.5	91%	0.911	78%	0.777	S	S	*	*			trans	98.6	86.8	-175	-58.8	173	0	0	0	114.9
164	A	45.4	Very low	40	Very low	97 Å²	97	142.2 Å²	142.2	80%	0.802	80%	0.801	S	S	*	*			trans	-77.8	122	155.8	0	0	0	0	0	109.4
165	D	38.1	Very low	40.6	Very low	164 Å²	164	147 Å²	147	88%	0.877	81%	0.805	S	S	*	*			trans	-146.4	140.9	148.1	-99.9	-38.5	0	0	0	108.1
166	N	47	Very low	40.8	Very low	158 Å²	158	149 Å²	149	85%	0.845	80%	0.798	S	S	*	*			trans	-73.1	130.4	179.2	-71.2	-50.3	0	0	0	110.1
167	D	38.9	Very low	41	Very low	170 Å²	170	151 Å²	151	91%	0.909	81%	0.808	S	S	*	*			trans	-149.6	144.4	133.1	-97.9	-36.6	0	0	0	108.6
168	G	46.8	Very low	42.7	Very low	76 Å²	76	144.1 Å²	144.1	78%	0.784	79%	0.785	S	S	*	*			trans	-96.2	109.6	-170	0	0	0	0	0	112.7
169	D	36.9	Very low	45.3	Very low	155 Å²	155	136.7 Å²	136.7	83%	0.829	76%	0.761	S	S	*	*			trans	-129.5	132.6	156	-87.1	-49.1	0	0	0	108.1	D171	D169-D171 PolarHBondContact O-N 2.89Å
170	E	42.6	Very low	48.2	Very low	198 Å²	198	128.9 Å²	128.9	93%	0.925	72%	0.724	S	S	*	*			trans	-81.1	62.6	-177.6	-67.3	-179.2	158.4	0	0	111.4	E172	E170-E172 PolarHBondContact O-N 2.81Å; E170-E172 VanDerWaalsContact O-N 3.11Å
171	D	37.1	Very low	51.2	Low	153 Å²	153	125.4 Å²	125.4	82%	0.818	69%	0.687	S	S	*	*			trans	-72.2	97.1	161	-87.1	-26	0	0	0	108.2	D169 D173	D169-D171 PolarHBondContact O-N 2.89Å; D171-D173 VanDerWaalsContact C-N 3.29Å; D171-D173 PolarHBondContact O-N 2.96Å
172	E	37.5	Very low	53.9	Low	168 Å²	168	116.6 Å²	116.6	79%	0.785	65%	0.646	S	S	*	*			trans	-60	92.6	165.4	-75.4	-169.3	151.2	0	0	109	E170 I174	E170-E172 PolarHBondContact O-N 2.81Å; E170-E172 VanDerWaalsContact O-N 3.11Å; E172-I174 VanDerWaalsContact C-N 3.28Å; E172-I174 HydrophobicContact CB-CG1 4.34Å; E172-I174 VanDerWaalsContact O-CG1 3.32Å; E172-I174 WeakPolarHBondContact O-CG1 3.13Å; E172-I174 PolarHBondContact O-N 3.32Å
173	D	36.4	Very low	56.5	Low	105 Å²	105	108.9 Å²	108.9	56%	0.561	61%	0.605	S	S	*	*			trans	-67.9	90	169.6	-159	13.2	0	0	0	107.2	D171 R175	D171-D173 VanDerWaalsContact C-N 3.29Å; D171-D173 PolarHBondContact O-N 2.96Å; D173-R175 PolarHBondContact O-N 2.94Å; D173-R175 IonicContact OD1-CZ 3.34Å; D173-R175 IonicContact OD1-NE 2.76Å; D173-R175 PolarHBondContact OD1-NE 2.88Å; D173-R175 IonicContact OD1-NH2 3.09Å; D173-R175 PolarHBondContact OD1-NH2 2.92Å; D173-R175 VanDerWaalsContact OD1-NH2 3.09Å; D173-R175 IonicContact OD2-CZ 3.08Å; D173-R175 IonicContact OD2-NE 2.96Å; D173-R175 PolarHBondContact OD2-NE 3.09Å; D173-R175 IonicContact OD2-NH1 2.8Å; D173-R175 IonicContact OD2-NH2 3.01Å; D173-R175 PolarHBondContact OD2-NH2 2.83Å
174	I	46	Very low	59.4	Low	142 Å²	142	100.6 Å²	100.6	73%	0.728	56%	0.561	S	S	*	*			trans	-70.5	56.7	-179.5	-44.5	-179	0	0	0	110.4	E172	E172-I174 VanDerWaalsContact C-N 3.28Å; E172-I174 HydrophobicContact CB-CG1 4.34Å; E172-I174 VanDerWaalsContact O-CG1 3.32Å; E172-I174 WeakPolarHBondContact O-CG1 3.13Å; E172-I174 PolarHBondContact O-N 3.32Å
175	R	47.6	Very low	61.9	Low	191 Å²	191	96.1 Å²	96.1	72%	0.721	52%	0.524	S	S	*	.			trans	-98.7	48.2	166	-57.5	-175.3	-159.2	176.9	20.3	108.5	D173 S177	D173-R175 PolarHBondContact O-N 2.94Å; D173-R175 IonicContact OD1-CZ 3.34Å; D173-R175 IonicContact OD1-NE 2.76Å; D173-R175 PolarHBondContact OD1-NE 2.88Å; D173-R175 IonicContact OD1-NH2 3.09Å; D173-R175 PolarHBondContact OD1-NH2 2.92Å; D173-R175 VanDerWaalsContact OD1-NH2 3.09Å; D173-R175 IonicContact OD2-CZ 3.08Å; D173-R175 IonicContact OD2-NE 2.96Å; D173-R175 PolarHBondContact OD2-NE 3.09Å; D173-R175 IonicContact OD2-NH1 2.8Å; D173-R175 IonicContact OD2-NH2 3.01Å; D173-R175 PolarHBondContact OD2-NH2 2.83Å; R175-S177 PolarHBondContact O-N 3.09Å; R175-S177 VanDerWaalsContact O-N 3.13Å
176	D	43.8	Very low	64.8	Low	119 Å²	119	88.3 Å²	88.3	64%	0.636	48%	0.482	S	S	*	.			trans	-55.9	118.7	-178.6	-177.5	20.6	0	0	0	109.5	G178	D176-G178 PolarHBondContact O-N 3.5Å; D176-G178 WeakPolarHBondContact OD1-CA 3.07Å; D176-G178 PolarHBondContact OD1-N 2.85Å; D176-G178 VanDerWaalsContact OD1-N 3.16Å; D176-G178 WeakPolarHBondContact OD2-CA 3.39Å
177	S	45.9	Very low	67.2	Low	111 Å²	111	80.9 Å²	80.9	78%	0.776	44%	0.442	S	S	*	.			trans	-71.4	37	166.5	58.2	0	0	0	0	111	R175	R175-S177 PolarHBondContact O-N 3.09Å; R175-S177 VanDerWaalsContact O-N 3.13Å
178	G	73.9	Confident	69.7	Low	25 Å²	25	73 Å²	73	26%	0.258	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-100.5	173.1	-166.4	0	0	0	0	0	113	D176 K180	D176-G178 PolarHBondContact O-N 3.5Å; D176-G178 WeakPolarHBondContact OD1-CA 3.07Å; D176-G178 PolarHBondContact OD1-N 2.85Å; D176-G178 VanDerWaalsContact OD1-N 3.16Å; D176-G178 WeakPolarHBondContact OD2-CA 3.39Å; G178-K180 PolarHBondContact O-N 3.07Å
179	A	91.6	Very high	71.6	Confident	43 Å²	43	69.5 Å²	69.5	36%	0.355	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-61.2	121	-178	0	0	0	0	0	110.9	G256 D258 R261	A179-G256 CarbonylContact C-O 3.55Å; A179-G256 WeakPolarHBondContact CA-O 3.48Å; A179-D258 HydrophobicContact CB-CB 3.71Å; A179-R261 PolarHBondContact O-NH2 3.29Å
180	K	96.4	Very high	74.1	Confident	31 Å²	31	62.3 Å²	62.3	14%	0.135	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	147.7	-172.5	-58.1	-177.5	-168.7	-63.5	0	111.7	P149 G178 N209 I211 G256 G257 D258	P149-K180 HydrophobicContact CG-CD 3.78Å; G178-K180 PolarHBondContact O-N 3.07Å; K180-N209 PolarHBondContact NZ-OD1 2.8Å; K180-I211 HydrophobicContact CB-CG1 4.26Å; K180-I211 HydrophobicContact CD-CG1 4.42Å; K180-G256 PolarHBondContact N-O 2.82Å; K180-G257 CarbonylContact O-C 3.53Å; K180-G257 VanDerWaalsContact O-CA 3.31Å; K180-G257 WeakPolarHBondContact O-CA 3.49Å; K180-D258 PolarHBondContact O-N 2.92Å
181	P	98.4	Very high	76.6	Confident	7 Å²	7	52.9 Å²	52.9	5%	0.045	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	151.8	168.8	-13.1	24.3	0	0	0	111.2	V210 I211 R261 K546	P181-V210 HydrophobicContact CB-CG1 4.04Å; P181-V210 HydrophobicContact CG-CG1 4.08Å; P181-V210 WeakPolarHBondContact O-CA 3.37Å; P181-I211 PolarHBondContact O-N 2.84Å; P181-R261 HydrophobicContact CB-CB 4.36Å; P181-K546 HydrophobicContact CB-CG 4.49Å; P181-K546 HydrophobicContact CG-CB 4.21Å; P181-K546 HydrophobicContact CG-CG 3.54Å
182	V	98.9	Very high	79.3	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.7	-175.4	-173.9	0	0	0	0	109.1	V184 I211 I213 V248 I252 R261 I262 T263	V182-V184 HydrophobicContact CG1-CG2 4.08Å; V182-I211 CarbonylContact C-O 3.31Å; V182-I211 WeakPolarHBondContact CA-O 3.28Å; V182-I213 HydrophobicContact CG1-CD1 3.7Å; V182-I213 HydrophobicContact CG1-CG1 4.16Å; V182-V248 HydrophobicContact CG1-CG1 4.03Å; V182-I252 HydrophobicContact CG1-CG1 4.05Å; V182-I252 HydrophobicContact CG2-CB 4.47Å; V182-I252 HydrophobicContact CG2-CG1 3.71Å; V182-I252 HydrophobicContact CG2-CG2 3.98Å; V182-R261 PolarHBondContact N-O 3.37Å; V182-I262 HydrophobicContact CB-CG1 4.11Å; V182-I262 CarbonylContact O-C 3.5Å; V182-I262 WeakPolarHBondContact O-CA 3.3Å; V182-T263 PolarHBondContact O-N 3.08Å
183	M	98.9	Very high	81.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	112.5	177	-64.7	-170.1	70.1	0	0	109.7	V210 I211 V212 I213 T263 F265 I291 W541 T542 A545	M183-V210 HydrophobicContact CG-CG2 4.32Å; M183-V210 HydrophobicContact SD-CG2 4.02Å; M183-I211 PolarHBondContact N-O 3.2Å; M183-V212 CarbonylContact O-C 3.08Å; M183-V212 WeakPolarHBondContact O-CA 3.35Å; M183-I213 PolarHBondContact O-N 2.71Å; M183-T263 CarbonylContact C-O 3.5Å; M183-T263 WeakPolarHBondContact CA-O 3.27Å; M183-F265 HydrophobicContact CB-CD1 4.23Å; M183-F265 HydrophobicContact CB-CE1 3.73Å; M183-F265 HydrophobicContact CB-CZ 4.49Å; M183-F265 HydrophobicContact CE-CD1 4.26Å; M183-F265 HydrophobicContact CE-CE1 4.22Å; M183-F265 HydrophobicContact CE-CG 4.47Å; M183-F265 HydrophobicContact CE-CZ 4.35Å; M183-I291 HydrophobicContact CE-CD1 3.97Å; M183-W541 HydrophobicContact CE-CB 4.31Å; M183-T542 HydrophobicContact SD-CG2 4.04Å; M183-A545 HydrophobicContact CE-CB 4.27Å; M183-A545 HydrophobicContact CG-CB 3.62Å; M183-A545 HydrophobicContact SD-CB 3.71Å
184	V	98.9	Very high	84.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	111.1	-176.4	-175.1	0	0	0	0	109.5	V182 I213 L215 L245 V248 I262 T263 V264 F265	V182-V184 HydrophobicContact CG1-CG2 4.08Å; V184-I213 HydrophobicContact CG1-CB 4.5Å; V184-I213 HydrophobicContact CG2-CB 4.31Å; V184-I213 HydrophobicContact CG2-CD1 4.28Å; V184-L215 HydrophobicContact CG1-CD2 3.73Å; V184-L245 HydrophobicContact CB-CD2 4.28Å; V184-L245 HydrophobicContact CG1-CD2 4.08Å; V184-L245 HydrophobicContact CG2-CD2 4.25Å; V184-V248 HydrophobicContact CG2-CG1 4.24Å; V184-I262 HydrophobicContact CG2-CG2 3.91Å; V184-T263 PolarHBondContact N-O 2.94Å; V184-V264 CarbonylContact O-C 3.57Å; V184-V264 WeakPolarHBondContact O-CA 3.49Å; V184-F265 WeakPolarHBondContact O-CD1 3.36Å; V184-F265 PolarHBondContact O-N 3.26Å
185	Y	98.9	Very high	87.1	Confident	3 Å²	3	29.1 Å²	29.1	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	124.9	-180	-172.8	-110.9	0	0	0	112.2	H187 I199 I213 T214 F265 F511	Y185-H187 HydrophobicContact CE1-CB 4Å; Y185-I199 HydrophobicContact CD1-CB 4.46Å; Y185-I199 HydrophobicContact CD1-CG1 4.28Å; Y185-I199 HydrophobicContact CD1-CG2 4.35Å; Y185-I199 HydrophobicContact CE1-CB 4.39Å; Y185-I199 HydrophobicContact CE1-CG1 3.74Å; Y185-I199 HydrophobicContact CE1-CG2 4.44Å; Y185-I213 PolarHBondContact N-O 3Å; Y185-T214 HydrophobicContact CD1-CG2 4.48Å; Y185-F265 CarbonylContact C-O 3.57Å; Y185-F265 VanDerWaalsContact CA-O 3.29Å; Y185-F265 WeakPolarHBondContact CA-O 3.32Å; Y185-F265 HydrophobicContact CD2-CD1 4.27Å; Y185-F265 AromaticContact CD2-CD2 3.7Å; Y185-F265 HydrophobicContact CD2-CD2 3.7Å; Y185-F265 HydrophobicContact CD2-CE1 4.13Å; Y185-F265 AromaticContact CD2-CE2 3.57Å; Y185-F265 HydrophobicContact CD2-CE2 3.57Å; Y185-F265 HydrophobicContact CD2-CG 4.05Å; Y185-F265 AromaticContact CD2-CZ 3.8Å; Y185-F265 HydrophobicContact CD2-CZ 3.8Å; Y185-F265 WeakPolarHBondContact CD2-O 3.41Å; Y185-F265 HydrophobicContact CE2-CD2 4.28Å; Y185-F265 HydrophobicContact CE2-CE2 4.25Å; Y185-F265 HydrophobicContact CG-CE1 4.37Å; Y185-F265 HydrophobicContact CG-CE2 4.38Å; Y185-F265 HydrophobicContact CG-CZ 4.18Å; Y185-F511 HydrophobicContact CD1-CZ 4.18Å; Y185-F511 HydrophobicContact CD2-CE2 4.07Å; Y185-F511 AromaticContact CD2-CZ 3.61Å; Y185-F511 HydrophobicContact CD2-CZ 3.61Å; Y185-F511 HydrophobicContact CE1-CZ 4.45Å; Y185-F511 AromaticContact CE2-CE2 3.85Å; Y185-F511 HydrophobicContact CE2-CE2 3.85Å; Y185-F511 AromaticContact CE2-CZ 3.88Å; Y185-F511 HydrophobicContact CE2-CZ 3.88Å; Y185-F511 HydrophobicContact CG-CE2 4.46Å; Y185-F511 AromaticContact CG-CZ 3.74Å; Y185-F511 HydrophobicContact CG-CZ 3.74Å
186	I	98.8	Very high	89.5	Confident	0 Å²	0	20 Å²	20	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	118.4	169.3	-56.1	-178.2	0	0	0	107.8	L215 Y217 Q241 V264 F265 G266 G270 C273 V274 L277	I186-L215 HydrophobicContact CG1-CD2 4.37Å; I186-Y217 HydrophobicContact CG2-CD1 4.36Å; I186-Y217 HydrophobicContact CG2-CE1 3.78Å; I186-Q241 HydrophobicContact CD1-CB 4.29Å; I186-Q241 HydrophobicContact CD1-CG 4.21Å; I186-Q241 HydrophobicContact CG2-CG 4.37Å; I186-V264 HydrophobicContact CD1-CG1 3.58Å; I186-V264 HydrophobicContact CG1-CG1 3.92Å; I186-F265 PolarHBondContact N-O 2.87Å; I186-G266 VanDerWaalsContact O-CA 3.3Å; I186-G266 WeakPolarHBondContact O-CA 3.41Å; I186-G270 WeakPolarHBondContact O-CA 3.47Å; I186-C273 HydrophobicContact CG2-CB 3.84Å; I186-V274 HydrophobicContact CD1-CG2 4.13Å; I186-L277 HydrophobicContact CD1-CD1 3.39Å
187	H	97.6	Very high	92	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-72.7	148.6	-179.9	68.9	82.6	0	0	0	112.5	Y185 T195 G196 M198 L215 Y217	Y185-H187 HydrophobicContact CE1-CB 4Å; H187-T195 PolarHBondContact CE1-N 2.98Å; H187-G196 PolarHBondContact CD2-N 3.36Å; H187-M198 HydrophobicContact CB-CE 3.74Å; H187-L215 PolarHBondContact CD2-O 2.87Å; H187-Y217 AromaticContact CD2-CE1 3.71Å; H187-Y217 AromaticContact CE1-CE1 3.52Å; H187-Y217 AromaticContact CE1-CZ 3.78Å; H187-Y217 AromaticContact ND1-CE1 3.96Å; H187-Y217 AromaticContact NE2-CD1 3.7Å; H187-Y217 AromaticContact NE2-CE1 3.38Å; H187-Y217 WeakPolarHBondContact NE2-CE1 3.3Å; H187-Y217 PolarHBondContact O-OH 3.17Å
188	G	89.9	Confident	94.3	Very high	6 Å²	6	9.9 Å²	9.9	6%	0.062	7%	0.065	C	C	.	.			trans	-83.8	-158.1	165.7	0	0	0	0	0	113.3	G270	G188-G270 VanDerWaalsContact CA-N 3.32Å
189	G	87.9	Confident	95.4	Very high	2 Å²	2	8.8 Å²	8.8	2%	0.021	5%	0.053	C	C	.	.	S	Bend	trans	136.1	-151.8	-159.1	0	0	0	0	0	107.2	L119 I269	L119-G189 VanDerWaalsContact CD2-C 3.43Å; G189-I269 WeakPolarHBondContact O-CB 3.26Å; G189-I269 WeakPolarHBondContact O-CG1 3.38Å
190	S	88.6	Confident	95.6	Very high	4 Å²	4	10.8 Å²	10.8	3%	0.028	6%	0.058	C	C	.	.	S	Bend	trans	-115.2	27.1	169.1	67.1	0	0	0	0	112.3	P115 M192 E193	P115-S190 VanDerWaalsContact CG-CB 3.42Å; S190-M192 PolarHBondContact O-N 2.85Å; S190-M192 VanDerWaalsContact O-N 3.15Å; S190-E193 WeakPolarHBondContact CA-OE1 3.47Å; S190-E193 VanDerWaalsContact CB-OE1 3.28Å; S190-E193 WeakPolarHBondContact CB-OE1 3.41Å; S190-E193 PolarHBondContact N-OE1 2.84Å; S190-E193 PolarHBondContact OG-OE1 2.79Å; S190-E193 PolarHBondContact OG-OE2 3.17Å
191	Y	95.4	Very high	95.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.051	C	C	.	.	S	Bend	trans	64.4	-16.1	-157.2	-57.1	-73.7	0	0	0	115.2	V219 G220 F224 I269 W301 A302 V352 P356	Y191-V219 CarbonylContact O-C 3.6Å; Y191-V219 WeakPolarHBondContact O-CA 3.24Å; Y191-V219 WeakPolarHBondContact O-CB 3.25Å; Y191-G220 PolarHBondContact O-N 2.88Å; Y191-F224 HydrophobicContact CD1-CE1 4.39Å; Y191-F224 AromaticContact CD1-CE2 3.99Å; Y191-F224 HydrophobicContact CD1-CE2 3.99Å; Y191-F224 AromaticContact CD1-CZ 3.77Å; Y191-F224 HydrophobicContact CD1-CZ 3.77Å; Y191-F224 HydrophobicContact CE1-CZ 4.43Å; Y191-F224 HydrophobicContact CG-CE2 4.32Å; Y191-F224 HydrophobicContact CG-CZ 4.47Å; Y191-I269 HydrophobicContact CD1-CG2 3.35Å; Y191-I269 HydrophobicContact CD2-CD1 4.18Å; Y191-I269 HydrophobicContact CD2-CG2 3.96Å; Y191-I269 HydrophobicContact CE1-CG2 3.31Å; Y191-I269 HydrophobicContact CE2-CD1 3.7Å; Y191-I269 HydrophobicContact CE2-CG1 4.44Å; Y191-I269 HydrophobicContact CE2-CG2 3.95Å; Y191-I269 HydrophobicContact CG-CG2 3.68Å; Y191-W301 WeakPolarHBondContact CE2-O 3.31Å; Y191-A302 WeakPolarHBondContact CE2-O 3.47Å; Y191-A302 PolarHBondContact OH-O 3.46Å; Y191-V352 HydrophobicContact CD2-CG1 4.15Å; Y191-V352 HydrophobicContact CD2-CG2 4.4Å; Y191-V352 HydrophobicContact CE2-CG2 4.49Å; Y191-P356 HydrophobicContact CD1-CG 4.36Å; Y191-P356 HydrophobicContact CE1-CG 3.6Å; Y191-P356 VanDerWaalsContact CE2-CD 3.44Å; Y191-P356 HydrophobicContact CE2-CG 4.31Å
192	M	93.7	Very high	95.7	Very high	60 Å²	60	9 Å²	9	30%	0.296	5%	0.049	S	C	.	.	S	Bend	trans	-86.9	-24.9	-176.6	-60.7	-65.1	-62.8	0	0	114.2	Q108 S190 G220 F354	Q108-M192 WeakPolarHBondContact CB-O 3.47Å; S190-M192 PolarHBondContact O-N 2.85Å; S190-M192 VanDerWaalsContact O-N 3.15Å; M192-G220 WeakPolarHBondContact SD-CA 3.34Å; M192-F354 HydrophobicContact CE-CD2 4.24Å; M192-F354 HydrophobicContact SD-CB 3.95Å; M192-F354 HydrophobicContact SD-CD2 4.13Å
193	E	92.9	Very high	95.6	Very high	5 Å²	5	9.4 Å²	9.4	2%	0.023	5%	0.051	C	C	.	.	S	Bend	trans	-144.9	174.1	-177	65	-71.9	117	0	0	112.5	Q108 I110 F123 S190	Q108-E193 HydrophobicContact CB-CB 4.23Å; I110-E193 HydrophobicContact CG2-CB 3.76Å; I110-E193 HydrophobicContact CG2-CG 3.98Å; F123-E193 HydrophobicContact CE1-CG 4.13Å; F123-E193 HydrophobicContact CZ-CG 3.77Å; S190-E193 WeakPolarHBondContact CA-OE1 3.47Å; S190-E193 VanDerWaalsContact CB-OE1 3.28Å; S190-E193 WeakPolarHBondContact CB-OE1 3.41Å; S190-E193 PolarHBondContact N-OE1 2.84Å; S190-E193 PolarHBondContact OG-OE1 2.79Å; S190-E193 PolarHBondContact OG-OE2 3.17Å
194	G	94.4	Very high	95.6	Very high	2 Å²	2	9.4 Å²	9.4	2%	0.021	5%	0.051	C	C	.	.			trans	118.6	167.4	-178.4	0	0	0	0	0	113	Q108	Q108-G194 PolarHBondContact NE2-O 2.97Å; Q108-G194 PolarHBondContact OE1-O 2.82Å
195	T	97.1	Very high	95.5	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.006	5%	0.051	C	C	.	.			trans	-157.3	146.2	172.6	171.6	0	0	0	0	110.6	V105 I134 H187 N197 M198 N216	V105-T195 HydrophobicContact CG1-CG2 4.03Å; V105-T195 WeakPolarHBondContact CG1-OG1 3.49Å; I134-T195 HydrophobicContact CG1-CG2 4.39Å; H187-T195 PolarHBondContact CE1-N 2.98Å; T195-N197 HydrophobicContact CG2-CB 4.13Å; T195-N197 PolarHBondContact O-N 3.21Å; T195-N197 VanDerWaalsContact OG1-CB 3.3Å; T195-N197 WeakPolarHBondContact OG1-CB 3.34Å; T195-N197 PolarHBondContact OG1-N 3.38Å; T195-N197 PolarHBondContact OG1-ND2 3.11Å; T195-M198 HydrophobicContact CG2-CB 4.24Å; T195-M198 WeakPolarHBondContact O-CE 3.34Å; T195-M198 VanDerWaalsContact O-CG 3.27Å; T195-M198 WeakPolarHBondContact O-CG 3.07Å; T195-N216 WeakPolarHBondContact CA-OD1 3.37Å; T195-N216 WeakPolarHBondContact CB-OD1 3.41Å; T195-N216 PolarHBondContact OG1-OD1 3.31Å
196	G	96.9	Very high	95.4	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-64.2	-17	169.1	0	0	0	0	0	113.4	H187 M198 I199 T214 N216	H187-G196 PolarHBondContact CD2-N 3.36Å; G196-M198 VanDerWaalsContact C-N 3.31Å; G196-M198 PolarHBondContact O-N 3.06Å; G196-I199 PolarHBondContact O-N 2.76Å; G196-T214 VanDerWaalsContact O-CB 3.26Å; G196-T214 WeakPolarHBondContact O-CB 3.4Å; G196-T214 PolarHBondContact O-OG1 2.91Å; G196-N216 PolarHBondContact N-OD1 2.81Å
197	N	96.3	Very high	95.3	Very high	7 Å²	7	12.5 Å²	12.5	4%	0.037	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-71.8	-21.2	-177.6	-57.9	-11.8	0	0	0	113.2	F102 P103 N145 T195 I199 N216	F102-N197 HydrophobicContact CB-CB 4.27Å; F102-N197 WeakPolarHBondContact CB-ND2 3.46Å; F102-N197 HydrophobicContact CD1-CB 3.88Å; F102-N197 WeakPolarHBondContact CD1-OD1 3.34Å; F102-N197 HydrophobicContact CD2-CB 4.3Å; F102-N197 HydrophobicContact CE1-CB 4.18Å; F102-N197 HydrophobicContact CG-CB 3.94Å; P103-N197 PolarHBondContact O-ND2 3.28Å; N145-N197 PolarHBondContact ND2-OD1 3.38Å; T195-N197 HydrophobicContact CG2-CB 4.13Å; T195-N197 PolarHBondContact O-N 3.21Å; T195-N197 VanDerWaalsContact OG1-CB 3.3Å; T195-N197 WeakPolarHBondContact OG1-CB 3.34Å; T195-N197 PolarHBondContact OG1-N 3.38Å; T195-N197 PolarHBondContact OG1-ND2 3.11Å; N197-I199 PolarHBondContact O-N 3.2Å; N197-N216 PolarHBondContact OD1-ND2 2.91Å
198	M	95.4	Very high	95.2	Very high	11 Å²	11	12.5 Å²	12.5	5%	0.054	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-76.4	-7.4	-179.6	75.7	-162.1	167.3	0	0	113.5	W122 F123 Y133 H187 T195 G196 L521	W122-M198 HydrophobicContact CH2-CE 3.92Å; W122-M198 HydrophobicContact CH2-CG 4.45Å; W122-M198 HydrophobicContact CH2-SD 3.92Å; W122-M198 HydrophobicContact CZ3-SD 4.21Å; F123-M198 HydrophobicContact CD2-SD 4.25Å; F123-M198 HydrophobicContact CE2-SD 4.17Å; Y133-M198 HydrophobicContact CD1-CB 4.18Å; Y133-M198 HydrophobicContact CG-CB 4.16Å; H187-M198 HydrophobicContact CB-CE 3.74Å; T195-M198 HydrophobicContact CG2-CB 4.24Å; T195-M198 WeakPolarHBondContact O-CE 3.34Å; T195-M198 VanDerWaalsContact O-CG 3.27Å; T195-M198 WeakPolarHBondContact O-CG 3.07Å; G196-M198 VanDerWaalsContact C-N 3.31Å; G196-M198 PolarHBondContact O-N 3.06Å; M198-L521 HydrophobicContact CB-CD2 3.98Å; M198-L521 HydrophobicContact CG-CD2 4.47Å; M198-L521 WeakPolarHBondContact O-CD2 3.36Å
199	I	96	Very high	95.5	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.01	9%	0.086	C	C	.	.	S	Bend	trans	-117.4	115.6	-175.9	-61.4	-58	0	0	0	109.4	Y185 G196 N197 G201 T214 V507 F511 F522	Y185-I199 HydrophobicContact CD1-CB 4.46Å; Y185-I199 HydrophobicContact CD1-CG1 4.28Å; Y185-I199 HydrophobicContact CD1-CG2 4.35Å; Y185-I199 HydrophobicContact CE1-CB 4.39Å; Y185-I199 HydrophobicContact CE1-CG1 3.74Å; Y185-I199 HydrophobicContact CE1-CG2 4.44Å; G196-I199 PolarHBondContact O-N 2.76Å; N197-I199 PolarHBondContact O-N 3.2Å; I199-G201 PolarHBondContact O-N 3.11Å; I199-T214 HydrophobicContact CB-CG2 4.36Å; I199-T214 HydrophobicContact CG2-CG2 4.32Å; I199-V507 HydrophobicContact CD1-CG1 4Å; I199-F511 HydrophobicContact CG2-CD1 3.44Å; I199-F511 VanDerWaalsContact CG2-CD1 3.44Å; I199-F511 HydrophobicContact CG2-CD2 3.72Å; I199-F511 HydrophobicContact CG2-CE1 3.31Å; I199-F511 HydrophobicContact CG2-CE2 3.6Å; I199-F511 HydrophobicContact CG2-CG 3.66Å; I199-F511 HydrophobicContact CG2-CZ 3.4Å; I199-F522 HydrophobicContact CD1-CZ 4.33Å
200	D	96.9	Very high	96	Very high	85 Å²	85	16.2 Å²	16.2	46%	0.455	9%	0.085	S	C	.	.			trans	-84	111.4	174.3	-172.2	-4	0	0	0	110.7	Y147 S202	Y147-D200 VanDerWaalsContact CE1-OD1 3.27Å; Y147-D200 WeakPolarHBondContact CE1-OD1 3.05Å; D200-S202 PolarHBondContact O-N 3.14Å; D200-S202 WeakPolarHBondContact OD1-CB 3.37Å; D200-S202 PolarHBondContact OD1-N 2.97Å; D200-S202 PolarHBondContact OD1-OG 3.08Å
201	G	97.9	Very high	96.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.083	C	C	.	.			trans	-74.2	-7.1	176.7	0	0	0	0	0	114.9	I199 I203 L204 A205	I199-G201 PolarHBondContact O-N 3.11Å; G201-I203 PolarHBondContact O-N 2.92Å; G201-L204 PolarHBondContact O-N 2.91Å; G201-A205 VanDerWaalsContact O-CB 3.31Å; G201-A205 WeakPolarHBondContact O-CB 3.42Å; G201-A205 PolarHBondContact O-N 2.87Å
202	S	97.8	Very high	96.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.8	-40.9	-165.7	-52.4	0	0	0	0	114.2	V66 Q68 Y147 D200 S206	V66-S202 WeakPolarHBondContact CG2-O 3.39Å; Q68-S202 PolarHBondContact NE2-OG 3.13Å; Y147-S202 VanDerWaalsContact CD1-OG 3.25Å; Y147-S202 WeakPolarHBondContact CD1-OG 3.42Å; D200-S202 PolarHBondContact O-N 3.14Å; D200-S202 WeakPolarHBondContact OD1-CB 3.37Å; D200-S202 PolarHBondContact OD1-N 2.97Å; D200-S202 PolarHBondContact OD1-OG 3.08Å; S202-S206 WeakPolarHBondContact O-CB 3.18Å; S202-S206 PolarHBondContact O-N 3.21Å
203	I	97.6	Very high	96.9	Very high	8 Å²	8	13.1 Å²	13.1	4%	0.041	7%	0.069	C	C	.	.	H	α-helix	trans	-67.8	-47	179.4	-54	-60.8	0	0	0	110.4	L58 L63 G201 A205 S206 Y207 M515 V516 M538	L58-I203 HydrophobicContact CD1-CD1 3.98Å; L58-I203 HydrophobicContact CD2-CD1 3.88Å; L58-I203 HydrophobicContact CG-CD1 4.38Å; L63-I203 HydrophobicContact CD1-CD1 3.81Å; L63-I203 HydrophobicContact CD1-CG2 3.92Å; G201-I203 PolarHBondContact O-N 2.92Å; I203-A205 VanDerWaalsContact C-N 3.32Å; I203-A205 PolarHBondContact O-N 3.5Å; I203-S206 PolarHBondContact O-N 2.85Å; I203-Y207 WeakPolarHBondContact O-CB 3.21Å; I203-Y207 PolarHBondContact O-N 2.62Å; I203-M515 HydrophobicContact CG2-CB 4.33Å; I203-M515 HydrophobicContact CG2-CG 4.49Å; I203-M515 HydrophobicContact CG2-SD 3.98Å; I203-V516 HydrophobicContact CD1-CG1 3.55Å; I203-V516 HydrophobicContact CG1-CG1 4.1Å; I203-M538 HydrophobicContact CG2-CE 4.15Å; I203-M538 HydrophobicContact CG2-SD 4.32Å
204	L	98.3	Very high	97.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.8	-40.8	177.2	177.3	61.2	0	0	0	111.8	G201 G208 V212 F265 F511 M538 T542	G201-L204 PolarHBondContact O-N 2.91Å; L204-G208 WeakPolarHBondContact O-CA 3.43Å; L204-G208 PolarHBondContact O-N 3.46Å; L204-V212 HydrophobicContact CB-CG2 4.06Å; L204-V212 HydrophobicContact CD2-CG1 4.49Å; L204-V212 HydrophobicContact CD2-CG2 3.88Å; L204-V212 HydrophobicContact CG-CG2 3.76Å; L204-F265 HydrophobicContact CD2-CE2 4.39Å; L204-F265 HydrophobicContact CD2-CZ 3.94Å; L204-F511 HydrophobicContact CD2-CD1 4.15Å; L204-F511 HydrophobicContact CD2-CE1 3.99Å; L204-M538 HydrophobicContact CB-SD 4.25Å; L204-M538 HydrophobicContact CD1-CB 4.16Å; L204-M538 HydrophobicContact CD1-CG 3.88Å; L204-M538 HydrophobicContact CD1-SD 4.04Å; L204-T542 HydrophobicContact CD1-CG2 3.53Å
205	A	98.2	Very high	97.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62	-52.9	175.7	0	0	0	0	0	111.8	P149 G201 I203 N209 V210 V212	P149-A205 WeakPolarHBondContact CB-O 3.27Å; G201-A205 VanDerWaalsContact O-CB 3.31Å; G201-A205 WeakPolarHBondContact O-CB 3.42Å; G201-A205 PolarHBondContact O-N 2.87Å; I203-A205 VanDerWaalsContact C-N 3.32Å; I203-A205 PolarHBondContact O-N 3.5Å; A205-N209 WeakPolarHBondContact O-CA 3.47Å; A205-N209 PolarHBondContact O-N 2.86Å; A205-V210 VanDerWaalsContact CA-O 3.24Å; A205-V210 WeakPolarHBondContact CA-O 3.47Å; A205-V210 WeakPolarHBondContact CB-O 3.35Å; A205-V210 PolarHBondContact O-N 2.79Å; A205-V212 HydrophobicContact CB-CB 4.35Å; A205-V212 HydrophobicContact CB-CG2 3.9Å
206	S	96.8	Very high	97.5	Very high	21 Å²	21	12.9 Å²	12.9	15%	0.147	7%	0.068	C	C	.	.	H	α-helix	trans	-66.3	-47.2	-177.4	-173.4	0	0	0	0	112.7	L58 G64 S202 I203	L58-S206 VanDerWaalsContact CD1-CB 3.49Å; G64-S206 PolarHBondContact N-OG 3.26Å; G64-S206 VanDerWaalsContact N-OG 3.08Å; G64-S206 PolarHBondContact O-OG 3.5Å; S202-S206 WeakPolarHBondContact O-CB 3.18Å; S202-S206 PolarHBondContact O-N 3.21Å; I203-S206 PolarHBondContact O-N 2.85Å
207	Y	95.9	Very high	97.6	Very high	47 Å²	47	13 Å²	13	18%	0.184	7%	0.068	C	C	.	.	H	α-helix	trans	-66.1	-45	177.2	-179	-86.1	0	0	0	111.9	L63 I203 M515 A535 M538 T539 I561	L63-Y207 HydrophobicContact CD2-CD2 4.36Å; I203-Y207 WeakPolarHBondContact O-CB 3.21Å; I203-Y207 PolarHBondContact O-N 2.62Å; Y207-M515 HydrophobicContact CD2-CE 3.78Å; Y207-M515 HydrophobicContact CD2-SD 4.07Å; Y207-M515 HydrophobicContact CE2-CE 3.76Å; Y207-A535 HydrophobicContact CE2-CB 4.08Å; Y207-A535 PolarHBondContact OH-O 2.99Å; Y207-M538 HydrophobicContact CD1-CB 3.6Å; Y207-M538 HydrophobicContact CD1-CE 3.88Å; Y207-M538 HydrophobicContact CD1-SD 4.3Å; Y207-M538 HydrophobicContact CD2-CE 4.02Å; Y207-M538 HydrophobicContact CE1-CB 3.73Å; Y207-M538 HydrophobicContact CE1-CE 4.4Å; Y207-M538 HydrophobicContact CG-CE 3.68Å; Y207-M538 HydrophobicContact CG-SD 4.39Å; Y207-T539 PolarHBondContact OH-OG1 3.36Å; Y207-I561 HydrophobicContact CD2-CG1 4.12Å; Y207-I561 HydrophobicContact CE2-CG1 3.95Å; Y207-I561 HydrophobicContact CE2-CG2 3.92Å
208	G	96.1	Very high	97.7	Very high	2 Å²	2	13 Å²	13	2%	0.021	7%	0.067	C	C	.	.	H	α-helix	trans	-75.4	-22.9	-175.8	0	0	0	0	0	114.7	L204 V210 K546	L204-G208 WeakPolarHBondContact O-CA 3.43Å; L204-G208 PolarHBondContact O-N 3.46Å; G208-V210 VanDerWaalsContact C-N 3.27Å; G208-K546 WeakPolarHBondContact O-CE 3.28Å; G208-K546 PolarHBondContact O-NZ 3.43Å
209	N	96.3	Very high	97.8	Very high	85 Å²	85	12.5 Å²	12.5	46%	0.455	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	48.8	-161.5	-171.1	23.2	0	0	0	111.4	K180 A205	K180-N209 PolarHBondContact NZ-OD1 2.8Å; A205-N209 WeakPolarHBondContact O-CA 3.47Å; A205-N209 PolarHBondContact O-N 2.86Å
210	V	98.2	Very high	97.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.066	C	C	.	.	S	Bend	trans	-127.7	154.2	177	-62.6	0	0	0	0	109.1	P149 P181 M183 A205 G208 V212 T542	P149-V210 VanDerWaalsContact CD-O 3.25Å; P149-V210 WeakPolarHBondContact CD-O 3.46Å; P149-V210 WeakPolarHBondContact CG-O 3.41Å; P181-V210 HydrophobicContact CB-CG1 4.04Å; P181-V210 HydrophobicContact CG-CG1 4.08Å; P181-V210 WeakPolarHBondContact O-CA 3.37Å; M183-V210 HydrophobicContact CG-CG2 4.32Å; M183-V210 HydrophobicContact SD-CG2 4.02Å; A205-V210 VanDerWaalsContact CA-O 3.24Å; A205-V210 WeakPolarHBondContact CA-O 3.47Å; A205-V210 WeakPolarHBondContact CB-O 3.35Å; A205-V210 PolarHBondContact O-N 2.79Å; G208-V210 VanDerWaalsContact C-N 3.27Å; V210-V212 HydrophobicContact CG2-CG2 4.08Å; V210-T542 HydrophobicContact CG1-CG2 4.35Å; V210-T542 HydrophobicContact CG2-CG2 4.05Å
211	I	98.8	Very high	97.8	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	127.1	167.8	-61.3	-179.4	0	0	0	108	V146 Y147 V148 K180 P181 V182 M183 I213 I252 F255	V146-I211 HydrophobicContact CG1-CG2 3.58Å; Y147-I211 WeakPolarHBondContact O-CA 3.4Å; V148-I211 HydrophobicContact CG1-CD1 4.33Å; V148-I211 HydrophobicContact CG1-CG1 4.31Å; V148-I211 HydrophobicContact CG2-CD1 4.34Å; V148-I211 HydrophobicContact CG2-CG1 4.47Å; V148-I211 HydrophobicContact CG2-CG2 4.38Å; K180-I211 HydrophobicContact CB-CG1 4.26Å; K180-I211 HydrophobicContact CD-CG1 4.42Å; P181-I211 PolarHBondContact O-N 2.84Å; V182-I211 CarbonylContact C-O 3.31Å; V182-I211 WeakPolarHBondContact CA-O 3.28Å; M183-I211 PolarHBondContact N-O 3.2Å; I211-I213 HydrophobicContact CG2-CG1 4.23Å; I211-I252 HydrophobicContact CD1-CD1 4.45Å; I211-I252 HydrophobicContact CD1-CG1 4.35Å; I211-I252 HydrophobicContact CG2-CD1 4.08Å; I211-F255 HydrophobicContact CD1-CB 4.12Å; I211-F255 WeakPolarHBondContact CD1-O 3.1Å
212	V	98.9	Very high	97.9	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.6	173.1	-178.5	0	0	0	0	108.8	Y147 M183 L204 A205 V210 F511	Y147-V212 PolarHBondContact N-O 3.24Å; Y147-V212 PolarHBondContact O-N 3.47Å; Y147-V212 VanDerWaalsContact O-N 3.09Å; M183-V212 CarbonylContact O-C 3.08Å; M183-V212 WeakPolarHBondContact O-CA 3.35Å; L204-V212 HydrophobicContact CB-CG2 4.06Å; L204-V212 HydrophobicContact CD2-CG1 4.49Å; L204-V212 HydrophobicContact CD2-CG2 3.88Å; L204-V212 HydrophobicContact CG-CG2 3.76Å; A205-V212 HydrophobicContact CB-CB 4.35Å; A205-V212 HydrophobicContact CB-CG2 3.9Å; V210-V212 HydrophobicContact CG2-CG2 4.08Å; V212-F511 HydrophobicContact CG1-CE1 4.49Å
213	I	98.9	Very high	97.9	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.4	175.9	-55.2	-176.4	0	0	0	108.5	L144 N145 V146 V182 M183 V184 Y185 I211 V248 I252	L144-I213 HydrophobicContact CB-CG2 4.17Å; L144-I213 HydrophobicContact CD1-CG2 4.18Å; L144-I213 HydrophobicContact CD2-CG2 4.46Å; N145-I213 VanDerWaalsContact O-CA 3.24Å; N145-I213 WeakPolarHBondContact O-CA 3.32Å; N145-I213 WeakPolarHBondContact O-CG2 3.43Å; V146-I213 HydrophobicContact CG1-CG1 4.33Å; V146-I213 HydrophobicContact CG2-CG1 4.46Å; V182-I213 HydrophobicContact CG1-CD1 3.7Å; V182-I213 HydrophobicContact CG1-CG1 4.16Å; M183-I213 PolarHBondContact O-N 2.71Å; V184-I213 HydrophobicContact CG1-CB 4.5Å; V184-I213 HydrophobicContact CG2-CB 4.31Å; V184-I213 HydrophobicContact CG2-CD1 4.28Å; Y185-I213 PolarHBondContact N-O 3Å; I211-I213 HydrophobicContact CG2-CG1 4.23Å; I213-V248 HydrophobicContact CD1-CB 4.32Å; I213-V248 HydrophobicContact CD1-CG1 3.75Å; I213-V248 HydrophobicContact CD1-CG2 3.51Å; I213-I252 HydrophobicContact CD1-CD1 3.63Å; I213-I252 HydrophobicContact CD1-CG1 4.3Å
214	T	98.9	Very high	97.9	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	147.7	164.6	71.8	0	0	0	0	108.9	L144 N145 Y147 Y185 G196 I199	L144-T214 CarbonylContact C-O 3.58Å; L144-T214 VanDerWaalsContact CA-O 3.3Å; L144-T214 WeakPolarHBondContact CA-O 3.48Å; L144-T214 WeakPolarHBondContact CB-O 3.28Å; N145-T214 PolarHBondContact N-O 3.4Å; N145-T214 PolarHBondContact ND2-OG1 2.84Å; N145-T214 VanDerWaalsContact ND2-OG1 3.12Å; N145-T214 PolarHBondContact O-N 3.01Å; Y147-T214 HydrophobicContact CE2-CG2 4.22Å; Y185-T214 HydrophobicContact CD1-CG2 4.48Å; G196-T214 VanDerWaalsContact O-CB 3.26Å; G196-T214 WeakPolarHBondContact O-CB 3.4Å; G196-T214 PolarHBondContact O-OG1 2.91Å; I199-T214 HydrophobicContact CB-CG2 4.36Å; I199-T214 HydrophobicContact CG2-CG2 4.32Å
215	L	98.4	Very high	98	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.005	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	153.1	-177.3	70.6	96.8	0	0	0	112.1	L144 V184 I186 H187 Y217 Q241 A244	L144-L215 HydrophobicContact CB-CB 3.84Å; V184-L215 HydrophobicContact CG1-CD2 3.73Å; I186-L215 HydrophobicContact CG1-CD2 4.37Å; H187-L215 PolarHBondContact CD2-O 2.87Å; L215-Y217 HydrophobicContact CD1-CD1 3.92Å; L215-Q241 HydrophobicContact CD1-CG 4.12Å; L215-A244 HydrophobicContact CD1-CB 4.5Å; L215-A244 HydrophobicContact CD2-CB 3.96Å
216	N	98.4	Very high	98	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.011	5%	0.046	C	C	.	.			trans	-101.9	136.6	166.8	-65.6	-46.6	0	0	0	109.1	Y74 C141 Y143 T195 G196 N197	Y74-N216 WeakPolarHBondContact CE1-O 3.47Å; Y74-N216 PolarHBondContact OH-O 3.09Å; C141-N216 WeakPolarHBondContact O-CB 3.16Å; Y143-N216 PolarHBondContact O-N 3.3Å; T195-N216 WeakPolarHBondContact CA-OD1 3.37Å; T195-N216 WeakPolarHBondContact CB-OD1 3.41Å; T195-N216 PolarHBondContact OG1-OD1 3.31Å; G196-N216 PolarHBondContact N-OD1 2.81Å; N197-N216 PolarHBondContact OD1-ND2 2.91Å
217	Y	98.8	Very high	98.1	Very high	1 Å²	1	8.1 Å²	8.1	0%	0.004	4%	0.041	C	C	.	.			trans	-127.3	157.6	173.7	59.6	-87.4	0	0	0	109.2	C106 I186 H187 L215 V219 F224 Q241	C106-Y217 VanDerWaalsContact SG-C 3.6Å; C106-Y217 PolarHBondContact SG-O 2.91Å; I186-Y217 HydrophobicContact CG2-CD1 4.36Å; I186-Y217 HydrophobicContact CG2-CE1 3.78Å; H187-Y217 AromaticContact CD2-CE1 3.71Å; H187-Y217 AromaticContact CE1-CE1 3.52Å; H187-Y217 AromaticContact CE1-CZ 3.78Å; H187-Y217 AromaticContact ND1-CE1 3.96Å; H187-Y217 AromaticContact NE2-CD1 3.7Å; H187-Y217 AromaticContact NE2-CE1 3.38Å; H187-Y217 WeakPolarHBondContact NE2-CE1 3.3Å; H187-Y217 PolarHBondContact O-OH 3.17Å; L215-Y217 HydrophobicContact CD1-CD1 3.92Å; Y217-V219 HydrophobicContact CD2-CG1 4.48Å; Y217-V219 HydrophobicContact CE2-CG1 4.15Å; Y217-V219 PolarHBondContact O-N 3.02Å; Y217-F224 HydrophobicContact CD2-CZ 4.48Å; Y217-F224 HydrophobicContact CE2-CE2 4.36Å; Y217-F224 HydrophobicContact CE2-CZ 4.21Å; Y217-Q241 HydrophobicContact CD1-CG 3.98Å; Y217-Q241 HydrophobicContact CG-CG 3.93Å
218	R	98.7	Very high	98.1	Very high	7 Å²	7	8.5 Å²	8.5	3%	0.026	6%	0.06	C	C	.	.			trans	-60.4	130.3	178.2	-77.4	170.6	-77.1	178.9	-5.2	110.7	P78 L85 L142 G223 G237 D240	P78-R218 HydrophobicContact CG-CG 4.25Å; L85-R218 PolarHBondContact O-NH1 2.92Å; L85-R218 PolarHBondContact O-NH2 2.95Å; L142-R218 HydrophobicContact CD2-CG 4.15Å; R218-G223 VanDerWaalsContact CB-CA 3.47Å; R218-G223 WeakPolarHBondContact O-CA 3.45Å; R218-G237 WeakPolarHBondContact O-CA 3.48Å; R218-D240 WeakPolarHBondContact CB-OD2 3.45Å; R218-D240 VanDerWaalsContact CG-OD2 3.28Å; R218-D240 WeakPolarHBondContact CG-OD2 3.44Å; R218-D240 IonicContact CZ-OD1 2.77Å; R218-D240 IonicContact CZ-OD2 3.9Å; R218-D240 PolarHBondContact N-OD2 3.37Å; R218-D240 IonicContact NE-OD1 3.51Å; R218-D240 PolarHBondContact NE-OD1 3.44Å; R218-D240 IonicContact NE-OD2 2.65Å; R218-D240 PolarHBondContact NE-OD2 2.87Å; R218-D240 IonicContact NH2-OD1 2.76Å; R218-D240 PolarHBondContact NH2-OD1 3.1Å; R218-D240 IonicContact NH2-OD2 3.6Å
219	V	97.7	Very high	98.2	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.012	7%	0.073	C	C	.	.			trans	-107.1	161.9	179.3	-70.1	0	0	0	0	111.8	C106 Q108 Y191 Y217 L222 G223	C106-V219 HydrophobicContact CB-CG2 3.99Å; Q108-V219 HydrophobicContact CB-CG2 4.01Å; Y191-V219 CarbonylContact O-C 3.6Å; Y191-V219 WeakPolarHBondContact O-CA 3.24Å; Y191-V219 WeakPolarHBondContact O-CB 3.25Å; Y217-V219 HydrophobicContact CD2-CG1 4.48Å; Y217-V219 HydrophobicContact CE2-CG1 4.15Å; Y217-V219 PolarHBondContact O-N 3.02Å; V219-L222 PolarHBondContact O-N 3.16Å; V219-G223 PolarHBondContact O-N 3.48Å; V219-G223 VanDerWaalsContact O-N 3.17Å
220	G	96.3	Very high	98.2	Very high	3 Å²	3	14.2 Å²	14.2	3%	0.031	9%	0.085	C	C	.	.	H	α-helix	trans	51.3	-135.4	175.5	0	0	0	0	0	113.9	Y191 M192 L222 G223 F224	Y191-G220 PolarHBondContact O-N 2.88Å; M192-G220 WeakPolarHBondContact SD-CA 3.34Å; G220-L222 VanDerWaalsContact C-N 3.25Å; G220-L222 PolarHBondContact O-N 2.97Å; G220-G223 PolarHBondContact O-N 3.5Å; G220-G223 VanDerWaalsContact O-N 3.12Å; G220-F224 PolarHBondContact O-N 2.84Å
221	V	97.8	Very high	98.2	Very high	4 Å²	4	15 Å²	15	2%	0.024	9%	0.092	C	C	.	.	H	α-helix	trans	-49.5	-46.2	179.4	176.9	0	0	0	0	111.9	F84 G223 L225 L314 L340 F354	F84-V221 HydrophobicContact CE1-CG1 4.21Å; F84-V221 WeakPolarHBondContact CE1-O 3.44Å; F84-V221 HydrophobicContact CZ-CG1 4.4Å; V221-G223 VanDerWaalsContact C-N 3.32Å; V221-G223 PolarHBondContact O-N 2.91Å; V221-L225 HydrophobicContact CG1-CB 4.36Å; V221-L225 HydrophobicContact CG1-CD1 3.93Å; V221-L225 WeakPolarHBondContact O-CB 3.4Å; V221-L225 PolarHBondContact O-N 2.78Å; V221-L314 HydrophobicContact CB-CD2 4.37Å; V221-L314 HydrophobicContact CG1-CD2 3.48Å; V221-L314 VanDerWaalsContact CG1-CD2 3.48Å; V221-L314 HydrophobicContact CG2-CD2 3.89Å; V221-L340 HydrophobicContact CG1-CB 4.27Å; V221-F354 HydrophobicContact CG2-CD2 3.85Å; V221-F354 HydrophobicContact CG2-CE1 4.45Å; V221-F354 HydrophobicContact CG2-CE2 3.72Å; V221-F354 HydrophobicContact CG2-CG 4.28Å; V221-F354 HydrophobicContact CG2-CZ 4.05Å
222	L	98.5	Very high	98.2	Very high	5 Å²	5	15.1 Å²	15.1	3%	0.026	9%	0.093	C	C	.	.	H	α-helix	trans	-71.9	-27.7	-174.2	-60	173.4	0	0	0	112.7	R83 F84 P107 E139 V219 G220 A337 L340 V341	R83-L222 HydrophobicContact CG-CD2 3.98Å; F84-L222 HydrophobicContact CE1-CD2 4.22Å; F84-L222 HydrophobicContact CZ-CD2 4.39Å; P107-L222 HydrophobicContact CB-CD1 3.82Å; P107-L222 HydrophobicContact CG-CD1 3.64Å; E139-L222 HydrophobicContact CG-CD1 4.15Å; V219-L222 PolarHBondContact O-N 3.16Å; G220-L222 VanDerWaalsContact C-N 3.25Å; G220-L222 PolarHBondContact O-N 2.97Å; L222-A337 HydrophobicContact CD1-CB 3.9Å; L222-L340 HydrophobicContact CD2-CD1 4.13Å; L222-V341 HydrophobicContact CD1-CG2 4.36Å
223	G	98.4	Very high	98.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-88.8	-28.9	177.5	0	0	0	0	0	114.8	R218 V219 G220 V221 Y236 G237	R218-G223 VanDerWaalsContact CB-CA 3.47Å; R218-G223 WeakPolarHBondContact O-CA 3.45Å; V219-G223 PolarHBondContact O-N 3.48Å; V219-G223 VanDerWaalsContact O-N 3.17Å; G220-G223 PolarHBondContact O-N 3.5Å; G220-G223 VanDerWaalsContact O-N 3.12Å; V221-G223 VanDerWaalsContact C-N 3.32Å; V221-G223 PolarHBondContact O-N 2.91Å; G223-Y236 CarbonylContact O-C 3.55Å; G223-Y236 WeakPolarHBondContact O-CA 3.24Å; G223-Y236 WeakPolarHBondContact O-CB 3.4Å; G223-Y236 WeakPolarHBondContact O-CD2 3.46Å; G223-Y236 PolarHBondContact O-N 3.03Å; G223-G237 PolarHBondContact O-N 3.33Å
224	F	98.7	Very high	98.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-140.1	8.2	-160.8	-59.6	-75.5	0	0	0	115.5	Y191 Y217 G220 S226 L238 F354 G355 P356	Y191-F224 HydrophobicContact CD1-CE1 4.39Å; Y191-F224 AromaticContact CD1-CE2 3.99Å; Y191-F224 HydrophobicContact CD1-CE2 3.99Å; Y191-F224 AromaticContact CD1-CZ 3.77Å; Y191-F224 HydrophobicContact CD1-CZ 3.77Å; Y191-F224 HydrophobicContact CE1-CZ 4.43Å; Y191-F224 HydrophobicContact CG-CE2 4.32Å; Y191-F224 HydrophobicContact CG-CZ 4.47Å; Y217-F224 HydrophobicContact CD2-CZ 4.48Å; Y217-F224 HydrophobicContact CE2-CE2 4.36Å; Y217-F224 HydrophobicContact CE2-CZ 4.21Å; G220-F224 PolarHBondContact O-N 2.84Å; F224-S226 PolarHBondContact O-N 2.78Å; F224-L238 HydrophobicContact CE1-CG 4.37Å; F224-F354 HydrophobicContact CB-CB 4.13Å; F224-G355 VanDerWaalsContact CB-N 3.34Å; F224-P356 HydrophobicContact CD1-CG 4.39Å; F224-P356 HydrophobicContact CE1-CG 3.96Å
225	L	98.6	Very high	98.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.107	C	C	.	.			trans	-60.8	126	171.9	-178.6	146.3	0	0	0	111.1	F84 V221 A232 G234 Y236 T311 L314 L332	F84-L225 HydrophobicContact CD1-CB 4.07Å; F84-L225 HydrophobicContact CD1-CD2 4.38Å; F84-L225 HydrophobicContact CE1-CB 3.96Å; F84-L225 HydrophobicContact CE1-CD1 4.2Å; F84-L225 HydrophobicContact CE1-CG 4.46Å; F84-L225 HydrophobicContact CZ-CD1 4.25Å; V221-L225 HydrophobicContact CG1-CB 4.36Å; V221-L225 HydrophobicContact CG1-CD1 3.93Å; V221-L225 WeakPolarHBondContact O-CB 3.4Å; V221-L225 PolarHBondContact O-N 2.78Å; L225-A232 HydrophobicContact CD2-CB 3.69Å; L225-G234 WeakPolarHBondContact O-CA 3.33Å; L225-Y236 VanDerWaalsContact O-CE2 3.23Å; L225-Y236 WeakPolarHBondContact O-CE2 3.33Å; L225-Y236 PolarHBondContact O-OH 2.96Å; L225-T311 HydrophobicContact CD1-CG2 4.11Å; L225-T311 HydrophobicContact CD2-CG2 4.02Å; L225-T311 HydrophobicContact CG-CG2 3.94Å; L225-L314 HydrophobicContact CD1-CD2 3.78Å; L225-L332 HydrophobicContact CD1-CD1 3.91Å
226	S	98.6	Very high	98.1	Very high	4 Å²	4	18.7 Å²	18.7	3%	0.028	11%	0.108	C	C	.	.			trans	-136.5	137.4	176.8	174.8	0	0	0	0	111.2	F224 G228 A232 K233 P307 T311	F224-S226 PolarHBondContact O-N 2.78Å; S226-G228 PolarHBondContact OG-N 3.26Å; S226-A232 CarbonylContact C-O 3.55Å; S226-A232 WeakPolarHBondContact CA-O 3.32Å; S226-A232 PolarHBondContact OG-O 2.94Å; S226-K233 VanDerWaalsContact CB-O 3.24Å; S226-K233 WeakPolarHBondContact CB-O 3.18Å; S226-K233 PolarHBondContact OG-O 3.27Å; S226-P307 CarbonylContact O-C 3.52Å; S226-T311 WeakPolarHBondContact O-CB 3.48Å; S226-T311 PolarHBondContact O-OG1 2.9Å
227	T	98.3	Very high	98.1	Very high	7 Å²	7	18.6 Å²	18.6	4%	0.043	11%	0.108	C	C	.	.			trans	-88.3	-4.2	173.6	45.1	0	0	0	0	112.8	D229 A231 A232 V308 T311 T325 M328 V329	T227-D229 VanDerWaalsContact CB-OD1 3.31Å; T227-D229 WeakPolarHBondContact CB-OD1 3.34Å; T227-D229 PolarHBondContact O-N 3.41Å; T227-D229 PolarHBondContact OG1-OD1 2.95Å; T227-A231 HydrophobicContact CG2-CB 4.47Å; T227-A232 HydrophobicContact CG2-CB 4.17Å; T227-A232 PolarHBondContact N-O 3.03Å; T227-A232 PolarHBondContact OG1-N 2.87Å; T227-A232 PolarHBondContact OG1-O 2.93Å; T227-A232 VanDerWaalsContact OG1-O 3.13Å; T227-V308 WeakPolarHBondContact O-CG2 3.4Å; T227-T311 HydrophobicContact CG2-CG2 4.07Å; T227-T325 HydrophobicContact CG2-CG2 4.29Å; T227-M328 HydrophobicContact CG2-CE 3.53Å; T227-V329 HydrophobicContact CG2-CG2 3.77Å
228	G	97	Very high	98.1	Very high	55 Å²	55	18.6 Å²	18.6	57%	0.567	11%	0.108	S	C	*	.	S	Bend	trans	70	11.9	-171.3	0	0	0	0	0	113.8	S226	S226-G228 PolarHBondContact OG-N 3.26Å
229	D	97.4	Very high	98.1	Very high	58 Å²	58	19.1 Å²	19.1	31%	0.31	11%	0.111	S	C	.	.	S	Bend	trans	-141.3	-162.4	178.2	70.2	17	0	0	0	111	T227 A231 T325	T227-D229 VanDerWaalsContact CB-OD1 3.31Å; T227-D229 WeakPolarHBondContact CB-OD1 3.34Å; T227-D229 PolarHBondContact O-N 3.41Å; T227-D229 PolarHBondContact OG1-OD1 2.95Å; D229-A231 WeakPolarHBondContact OD1-CB 3.31Å; D229-A231 PolarHBondContact OD1-N 3.01Å; D229-T325 VanDerWaalsContact OD2-CB 3.31Å; D229-T325 WeakPolarHBondContact OD2-CB 3.48Å; D229-T325 WeakPolarHBondContact OD2-CG2 3.4Å; D229-T325 PolarHBondContact OD2-OG1 2.87Å
230	Q	97.3	Very high	98.2	Very high	150 Å²	150	19 Å²	19	70%	0.701	11%	0.111	S	C	*	.	S	Bend	trans	-81.2	-9.6	-176.4	-58.9	-58.6	-67.7	0	0	114.7
231	A	97.6	Very high	98.3	Very high	17 Å²	17	18.9 Å²	18.9	14%	0.14	11%	0.109	C	C	.	.	S	Bend	trans	-70.1	-41.3	-178.1	0	0	0	0	0	112.1	T227 D229 T325 V326 V329	T227-A231 HydrophobicContact CG2-CB 4.47Å; D229-A231 WeakPolarHBondContact OD1-CB 3.31Å; D229-A231 PolarHBondContact OD1-N 3.01Å; A231-T325 WeakPolarHBondContact CB-O 3.48Å; A231-V326 HydrophobicContact CB-CG2 3.94Å; A231-V329 HydrophobicContact CB-CG2 4.13Å
232	A	98.2	Very high	98.4	Very high	2 Å²	2	18.7 Å²	18.7	2%	0.017	11%	0.108	C	C	.	.			trans	-146	103.2	168.6	0	0	0	0	0	108.7	L225 S226 T227 G234 Y236 V329	L225-A232 HydrophobicContact CD2-CB 3.69Å; S226-A232 CarbonylContact C-O 3.55Å; S226-A232 WeakPolarHBondContact CA-O 3.32Å; S226-A232 PolarHBondContact OG-O 2.94Å; T227-A232 HydrophobicContact CG2-CB 4.17Å; T227-A232 PolarHBondContact N-O 3.03Å; T227-A232 PolarHBondContact OG1-N 2.87Å; T227-A232 PolarHBondContact OG1-O 2.93Å; T227-A232 VanDerWaalsContact OG1-O 3.13Å; A232-G234 PolarHBondContact O-N 2.91Å; A232-Y236 VanDerWaalsContact C-OH 3.25Å; A232-Y236 WeakPolarHBondContact CA-OH 3.06Å; A232-Y236 VanDerWaalsContact CB-OH 3.28Å; A232-Y236 WeakPolarHBondContact CB-OH 3.43Å; A232-V329 HydrophobicContact CB-CG1 4.34Å; A232-V329 HydrophobicContact CB-CG2 3.68Å
233	K	98.2	Very high	98.4	Very high	69 Å²	69	19.2 Å²	19.2	30%	0.3	11%	0.11	S	C	.	.			trans	-65.4	-37.4	-178.4	-69.7	-174.9	170.1	-172.1	0	113.1	S226 Y236 V357 D361	S226-K233 VanDerWaalsContact CB-O 3.24Å; S226-K233 WeakPolarHBondContact CB-O 3.18Å; S226-K233 PolarHBondContact OG-O 3.27Å; K233-Y236 PolarHBondContact N-OH 2.86Å; K233-V357 WeakPolarHBondContact O-CG2 3.45Å; K233-D361 IonicContact NZ-OD2 3.73Å; K233-D361 PolarHBondContact NZ-OD2 3.24Å
234	G	98.4	Very high	98.4	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.01	11%	0.11	C	C	.	.			trans	102.4	-159.7	-170.5	0	0	0	0	0	112.6	L225 A232 Y236	L225-G234 WeakPolarHBondContact O-CA 3.33Å; A232-G234 PolarHBondContact O-N 2.91Å; G234-Y236 PolarHBondContact N-OH 3.45Å; G234-Y236 VanDerWaalsContact N-OH 3.08Å; G234-Y236 WeakPolarHBondContact O-CD1 3.3Å; G234-Y236 VanDerWaalsContact O-CE1 3.27Å; G234-Y236 WeakPolarHBondContact O-CE1 3.42Å; G234-Y236 PolarHBondContact O-N 3.43Å
235	N	98.8	Very high	98.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.111	C	C	.	.			trans	56	15.2	174.3	-64.4	-26.1	0	0	0	116.8	G237 L238 L239 P356 V357 D359 V362	N235-G237 VanDerWaalsContact C-N 3.27Å; N235-G237 PolarHBondContact O-N 2.54Å; N235-L238 HydrophobicContact CB-CD1 4.48Å; N235-L238 PolarHBondContact O-N 2.84Å; N235-L239 PolarHBondContact O-N 3.03Å; N235-P356 VanDerWaalsContact OD1-CA 3.31Å; N235-P356 WeakPolarHBondContact OD1-CA 3.49Å; N235-V357 PolarHBondContact ND2-O 3.48Å; N235-V357 PolarHBondContact OD1-N 3.02Å; N235-V357 PolarHBondContact OD1-O 2.79Å; N235-D359 PolarHBondContact ND2-OD1 3.2Å; N235-D359 PolarHBondContact ND2-OD2 2.99Å; N235-V362 HydrophobicContact CB-CB 4.09Å; N235-V362 HydrophobicContact CB-CG1 4.22Å; N235-V362 HydrophobicContact CB-CG2 4.18Å
236	Y	98.9	Very high	98.4	Very high	6 Å²	6	23 Å²	23	2%	0.024	12%	0.124	C	C	.	.	H	α-helix	trans	-59.8	-36.3	-179.5	-40.6	-61.6	0	0	0	112.7	F84 G223 L225 A232 K233 G234 L239 D240	F84-Y236 VanDerWaalsContact C-CE1 3.43Å; F84-Y236 HydrophobicContact CB-CE2 3.81Å; F84-Y236 HydrophobicContact CD1-CE2 4.12Å; F84-Y236 HydrophobicContact CG-CE2 4.46Å; F84-Y236 VanDerWaalsContact O-CE1 3.26Å; F84-Y236 WeakPolarHBondContact O-CE1 3.42Å; F84-Y236 VanDerWaalsContact O-CZ 3.31Å; F84-Y236 PolarHBondContact O-OH 2.87Å; G223-Y236 CarbonylContact O-C 3.55Å; G223-Y236 WeakPolarHBondContact O-CA 3.24Å; G223-Y236 WeakPolarHBondContact O-CB 3.4Å; G223-Y236 WeakPolarHBondContact O-CD2 3.46Å; G223-Y236 PolarHBondContact O-N 3.03Å; L225-Y236 VanDerWaalsContact O-CE2 3.23Å; L225-Y236 WeakPolarHBondContact O-CE2 3.33Å; L225-Y236 PolarHBondContact O-OH 2.96Å; A232-Y236 VanDerWaalsContact C-OH 3.25Å; A232-Y236 WeakPolarHBondContact CA-OH 3.06Å; A232-Y236 VanDerWaalsContact CB-OH 3.28Å; A232-Y236 WeakPolarHBondContact CB-OH 3.43Å; K233-Y236 PolarHBondContact N-OH 2.86Å; G234-Y236 PolarHBondContact N-OH 3.45Å; G234-Y236 VanDerWaalsContact N-OH 3.08Å; G234-Y236 WeakPolarHBondContact O-CD1 3.3Å; G234-Y236 VanDerWaalsContact O-CE1 3.27Å; G234-Y236 WeakPolarHBondContact O-CE1 3.42Å; G234-Y236 PolarHBondContact O-N 3.43Å; Y236-L239 PolarHBondContact O-N 2.85Å; Y236-D240 WeakPolarHBondContact O-CB 3.3Å; Y236-D240 PolarHBondContact O-N 3.43Å
237	G	98.8	Very high	98.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.7	-31	174.3	0	0	0	0	0	114	R218 G223 N235 Q241	R218-G237 WeakPolarHBondContact O-CA 3.48Å; G223-G237 PolarHBondContact O-N 3.33Å; N235-G237 VanDerWaalsContact C-N 3.27Å; N235-G237 PolarHBondContact O-N 2.54Å; G237-Q241 VanDerWaalsContact O-CG 3.3Å; G237-Q241 WeakPolarHBondContact O-CG 3.42Å; G237-Q241 PolarHBondContact O-N 2.57Å; G237-Q241 PolarHBondContact O-NE2 2.86Å
238	L	98.9	Very high	98.5	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-74.3	-41.1	170.5	-65.9	-179.1	0	0	0	110.8	F224 N235 D240 Q241 I242 C273 L276 P356 V362 I363	F224-L238 HydrophobicContact CE1-CG 4.37Å; N235-L238 HydrophobicContact CB-CD1 4.48Å; N235-L238 PolarHBondContact O-N 2.84Å; L238-D240 VanDerWaalsContact C-N 3.26Å; L238-D240 PolarHBondContact O-N 2.85Å; L238-Q241 WeakPolarHBondContact O-CB 3.38Å; L238-Q241 PolarHBondContact O-N 3.43Å; L238-Q241 VanDerWaalsContact O-N 3.12Å; L238-I242 WeakPolarHBondContact O-CG1 3.32Å; L238-I242 PolarHBondContact O-N 2.95Å; L238-C273 HydrophobicContact CD2-CB 4.36Å; L238-L276 HydrophobicContact CD1-CB 4.47Å; L238-L276 HydrophobicContact CD1-CD1 4.5Å; L238-P356 HydrophobicContact CD1-CB 4.01Å; L238-P356 HydrophobicContact CD1-CG 4.1Å; L238-P356 HydrophobicContact CD2-CG 4.44Å; L238-P356 HydrophobicContact CG-CG 4.34Å; L238-V362 HydrophobicContact CB-CG1 4.27Å; L238-V362 HydrophobicContact CD1-CG1 4.31Å; L238-I363 HydrophobicContact CD1-CD1 4.16Å; L238-I363 HydrophobicContact CD1-CG1 4.2Å
239	L	98.9	Very high	98.5	Very high	18 Å²	18	21.7 Å²	21.7	9%	0.094	11%	0.107	C	C	.	.	H	α-helix	trans	-62.7	-33.1	175.6	-71.1	166.2	0	0	0	112.4	P86 P87 N235 Y236 I242 Q243 V362	P86-L239 HydrophobicContact CB-CD1 4.06Å; P86-L239 HydrophobicContact CG-CD1 4.02Å; P87-L239 HydrophobicContact CG-CB 4.3Å; P87-L239 WeakPolarHBondContact CG-O 3.43Å; N235-L239 PolarHBondContact O-N 3.03Å; Y236-L239 PolarHBondContact O-N 2.85Å; L239-I242 HydrophobicContact CD2-CD1 4.36Å; L239-I242 PolarHBondContact O-N 3.03Å; L239-Q243 VanDerWaalsContact O-CB 3.3Å; L239-Q243 WeakPolarHBondContact O-CB 3.4Å; L239-Q243 PolarHBondContact O-N 3.37Å; L239-V362 HydrophobicContact CD1-CG2 4.11Å; L239-V362 HydrophobicContact CD2-CG2 3.69Å; L239-V362 HydrophobicContact CG-CG2 3.88Å
240	D	98.9	Very high	98.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.9	-47.1	170.1	-71.5	-15.4	0	0	0	111.5	Y74 P87 L142 R218 Y236 L238 I242 Q243 A244	Y74-D240 WeakPolarHBondContact CE2-O 3.13Å; P87-D240 WeakPolarHBondContact CB-OD1 3.18Å; P87-D240 WeakPolarHBondContact CG-OD1 3.41Å; L142-D240 HydrophobicContact CD2-CB 4.24Å; L142-D240 WeakPolarHBondContact CD2-OD2 3.16Å; R218-D240 WeakPolarHBondContact CB-OD2 3.45Å; R218-D240 VanDerWaalsContact CG-OD2 3.28Å; R218-D240 WeakPolarHBondContact CG-OD2 3.44Å; R218-D240 IonicContact CZ-OD1 2.77Å; R218-D240 IonicContact CZ-OD2 3.9Å; R218-D240 PolarHBondContact N-OD2 3.37Å; R218-D240 IonicContact NE-OD1 3.51Å; R218-D240 PolarHBondContact NE-OD1 3.44Å; R218-D240 IonicContact NE-OD2 2.65Å; R218-D240 PolarHBondContact NE-OD2 2.87Å; R218-D240 IonicContact NH2-OD1 2.76Å; R218-D240 PolarHBondContact NH2-OD1 3.1Å; R218-D240 IonicContact NH2-OD2 3.6Å; Y236-D240 WeakPolarHBondContact O-CB 3.3Å; Y236-D240 PolarHBondContact O-N 3.43Å; L238-D240 VanDerWaalsContact C-N 3.26Å; L238-D240 PolarHBondContact O-N 2.85Å; D240-I242 PolarHBondContact O-N 3.05Å; D240-Q243 PolarHBondContact O-N 3.1Å; D240-A244 PolarHBondContact O-N 3.48Å
241	Q	98.9	Very high	98.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.8	-43.2	175.4	-64.2	161.4	16.9	0	0	111.4	I186 L215 Y217 G237 L238 Q243 A244 L245 C273 L277	I186-Q241 HydrophobicContact CD1-CB 4.29Å; I186-Q241 HydrophobicContact CD1-CG 4.21Å; I186-Q241 HydrophobicContact CG2-CG 4.37Å; L215-Q241 HydrophobicContact CD1-CG 4.12Å; Y217-Q241 HydrophobicContact CD1-CG 3.98Å; Y217-Q241 HydrophobicContact CG-CG 3.93Å; G237-Q241 VanDerWaalsContact O-CG 3.3Å; G237-Q241 WeakPolarHBondContact O-CG 3.42Å; G237-Q241 PolarHBondContact O-N 2.57Å; G237-Q241 PolarHBondContact O-NE2 2.86Å; L238-Q241 WeakPolarHBondContact O-CB 3.38Å; L238-Q241 PolarHBondContact O-N 3.43Å; L238-Q241 VanDerWaalsContact O-N 3.12Å; Q241-Q243 PolarHBondContact O-N 3.22Å; Q241-A244 WeakPolarHBondContact O-CB 3.14Å; Q241-A244 PolarHBondContact O-N 2.99Å; Q241-L245 VanDerWaalsContact O-CG 3.31Å; Q241-L245 WeakPolarHBondContact O-CG 3.41Å; Q241-L245 PolarHBondContact O-N 2.96Å; Q241-C273 PolarHBondContact NE2-SG 2.99Å; Q241-C273 VanDerWaalsContact NE2-SG 3.37Å; Q241-L277 HydrophobicContact CB-CD1 4.2Å
242	I	98.9	Very high	98.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61.7	-43.1	175.1	-67.8	160.7	0	0	0	110.9	L238 L239 D240 L245 R246 L277 H282 L286 V362	L238-I242 WeakPolarHBondContact O-CG1 3.32Å; L238-I242 PolarHBondContact O-N 2.95Å; L239-I242 HydrophobicContact CD2-CD1 4.36Å; L239-I242 PolarHBondContact O-N 3.03Å; D240-I242 PolarHBondContact O-N 3.05Å; I242-L245 PolarHBondContact O-N 3.1Å; I242-R246 VanDerWaalsContact CG2-NH2 3.34Å; I242-R246 WeakPolarHBondContact O-CG 3.26Å; I242-R246 PolarHBondContact O-N 3.49Å; I242-L277 HydrophobicContact CD1-CD2 3.93Å; I242-L277 HydrophobicContact CG1-CD2 3.46Å; I242-L277 VanDerWaalsContact CG1-CD2 3.46Å; I242-H282 HydrophobicContact CD1-CB 3.84Å; I242-H282 HydrophobicContact CG2-CB 4.32Å; I242-L286 HydrophobicContact CG2-CD1 3.94Å; I242-V362 HydrophobicContact CD1-CG1 4.22Å
243	Q	98.9	Very high	98.6	Very high	15 Å²	15	18.5 Å²	18.5	7%	0.07	10%	0.097	C	C	.	.	H	α-helix	trans	-67.8	-35	177.7	-179.8	51.9	37.9	0	0	112.2	Y74 A75 P87 L239 D240 Q241 R246 W247	Y74-Q243 HydrophobicContact CD2-CB 4.48Å; Y74-Q243 HydrophobicContact CD2-CG 4.2Å; Y74-Q243 HydrophobicContact CE2-CB 4.47Å; Y74-Q243 PolarHBondContact O-NE2 3.39Å; A75-Q243 HydrophobicContact CB-CG 4.02Å; P87-Q243 HydrophobicContact CB-CB 4.27Å; P87-Q243 HydrophobicContact CB-CG 4.2Å; P87-Q243 HydrophobicContact CG-CB 3.62Å; P87-Q243 HydrophobicContact CG-CG 4.05Å; L239-Q243 VanDerWaalsContact O-CB 3.3Å; L239-Q243 WeakPolarHBondContact O-CB 3.4Å; L239-Q243 PolarHBondContact O-N 3.37Å; D240-Q243 PolarHBondContact O-N 3.1Å; Q241-Q243 PolarHBondContact O-N 3.22Å; Q243-R246 PolarHBondContact O-N 3.4Å; Q243-W247 WeakPolarHBondContact O-CB 3.43Å; Q243-W247 PolarHBondContact O-N 3.01Å
244	A	98.9	Very high	98.5	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.008	10%	0.101	C	C	.	.	H	α-helix	trans	-63.4	-43.6	169.3	0	0	0	0	0	111.4	Y74 L144 L215 D240 Q241 W247 V248	Y74-A244 HydrophobicContact CD1-CB 4.08Å; Y74-A244 HydrophobicContact CD2-CB 3.7Å; Y74-A244 HydrophobicContact CE1-CB 4.11Å; Y74-A244 HydrophobicContact CE2-CB 3.78Å; Y74-A244 HydrophobicContact CG-CB 3.87Å; L144-A244 HydrophobicContact CD2-CB 4.3Å; L215-A244 HydrophobicContact CD1-CB 4.5Å; L215-A244 HydrophobicContact CD2-CB 3.96Å; D240-A244 PolarHBondContact O-N 3.48Å; Q241-A244 WeakPolarHBondContact O-CB 3.14Å; Q241-A244 PolarHBondContact O-N 2.99Å; A244-W247 WeakPolarHBondContact O-CB 3.36Å; A244-W247 PolarHBondContact O-N 3.16Å; A244-V248 VanDerWaalsContact O-CG2 3.29Å; A244-V248 WeakPolarHBondContact O-CG2 3.16Å; A244-V248 PolarHBondContact O-N 3.1Å
245	L	98.9	Very high	98.4	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-64.1	-39.4	176.7	-70	166.9	0	0	0	112.5	V184 Q241 I242 V248 S249 I262 V264 L277 L286 F287	V184-L245 HydrophobicContact CB-CD2 4.28Å; V184-L245 HydrophobicContact CG1-CD2 4.08Å; V184-L245 HydrophobicContact CG2-CD2 4.25Å; Q241-L245 VanDerWaalsContact O-CG 3.31Å; Q241-L245 WeakPolarHBondContact O-CG 3.41Å; Q241-L245 PolarHBondContact O-N 2.96Å; I242-L245 PolarHBondContact O-N 3.1Å; L245-V248 PolarHBondContact O-N 2.91Å; L245-S249 WeakPolarHBondContact O-CB 3.25Å; L245-S249 PolarHBondContact O-N 2.83Å; L245-I262 HydrophobicContact CD2-CG2 4.4Å; L245-V264 HydrophobicContact CD1-CG2 4.27Å; L245-V264 HydrophobicContact CD2-CG2 3.62Å; L245-L277 HydrophobicContact CD1-CD1 4.09Å; L245-L286 HydrophobicContact CB-CB 4.13Å; L245-L286 HydrophobicContact CB-CD1 4.06Å; L245-F287 HydrophobicContact CD1-CD1 3.97Å; L245-F287 HydrophobicContact CD1-CE1 4.15Å
246	R	98.8	Very high	98.3	Very high	77 Å²	77	21.7 Å²	21.7	29%	0.291	12%	0.121	S	C	.	.	H	α-helix	trans	-58.7	-50	170.3	-71.4	172.8	-173.5	152	4.4	111.2	I242 Q243 V248 S249 E250 H282 L286	I242-R246 VanDerWaalsContact CG2-NH2 3.34Å; I242-R246 WeakPolarHBondContact O-CG 3.26Å; I242-R246 PolarHBondContact O-N 3.49Å; Q243-R246 PolarHBondContact O-N 3.4Å; R246-V248 VanDerWaalsContact C-N 3.3Å; R246-V248 PolarHBondContact O-N 3.24Å; R246-S249 PolarHBondContact O-N 3.26Å; R246-E250 WeakPolarHBondContact O-CG 3.27Å; R246-E250 PolarHBondContact O-N 3.3Å; R246-H282 PolarHBondContact NH2-O 2.85Å; R246-H282 VanDerWaalsContact NH2-O 3.13Å; R246-L286 HydrophobicContact CG-CD1 3.67Å; R246-L286 HydrophobicContact CG-CD2 3.71Å; R246-L286 HydrophobicContact CG-CG 4.38Å
247	W	98.8	Very high	98.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-57.4	-42.8	176.5	-174.9	101.3	0	0	0	112	T46 F48 V72 L144 Q243 A244 E250 N251 F255	T46-W247 HydrophobicContact CG2-CZ2 4.09Å; F48-W247 AromaticContact CD2-NE1 3.7Å; F48-W247 AromaticContact CE2-CD1 3.62Å; F48-W247 AromaticContact CE2-NE1 3.77Å; V72-W247 HydrophobicContact CG1-CH2 3.72Å; V72-W247 HydrophobicContact CG1-CZ2 3.39Å; L144-W247 HydrophobicContact CD1-CE3 4.17Å; L144-W247 HydrophobicContact CD1-CH2 4.19Å; L144-W247 HydrophobicContact CD1-CZ3 3.77Å; L144-W247 HydrophobicContact CD2-CD2 4.26Å; L144-W247 HydrophobicContact CD2-CE3 3.72Å; L144-W247 HydrophobicContact CD2-CZ3 4.17Å; L144-W247 HydrophobicContact CG-CE3 4.49Å; Q243-W247 WeakPolarHBondContact O-CB 3.43Å; Q243-W247 PolarHBondContact O-N 3.01Å; A244-W247 WeakPolarHBondContact O-CB 3.36Å; A244-W247 PolarHBondContact O-N 3.16Å; W247-E250 PolarHBondContact O-N 2.82Å; W247-N251 HydrophobicContact CD2-CB 4.18Å; W247-N251 HydrophobicContact CE3-CB 4.23Å; W247-N251 HydrophobicContact CH2-CB 4.07Å; W247-N251 HydrophobicContact CZ2-CB 4.02Å; W247-N251 HydrophobicContact CZ3-CB 4.17Å; W247-N251 VanDerWaalsContact O-CB 3.27Å; W247-N251 WeakPolarHBondContact O-CB 3.5Å; W247-N251 PolarHBondContact O-N 3.07Å; W247-N251 PolarHBondContact O-ND2 2.74Å; W247-F255 AromaticContact CH2-CE2 3.71Å; W247-F255 HydrophobicContact CH2-CE2 3.71Å; W247-F255 AromaticContact CH2-CZ 3.95Å; W247-F255 HydrophobicContact CH2-CZ 3.95Å; W247-F255 HydrophobicContact CZ3-CE2 4.4Å
248	V	98.8	Very high	98.2	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-63.8	-50.4	177.3	171.4	0	0	0	0	110.4	L144 V182 V184 I213 A244 L245 R246 E250 N251 I252 I262	L144-V248 HydrophobicContact CD2-CG2 4.16Å; V182-V248 HydrophobicContact CG1-CG1 4.03Å; V184-V248 HydrophobicContact CG2-CG1 4.24Å; I213-V248 HydrophobicContact CD1-CB 4.32Å; I213-V248 HydrophobicContact CD1-CG1 3.75Å; I213-V248 HydrophobicContact CD1-CG2 3.51Å; A244-V248 VanDerWaalsContact O-CG2 3.29Å; A244-V248 WeakPolarHBondContact O-CG2 3.16Å; A244-V248 PolarHBondContact O-N 3.1Å; L245-V248 PolarHBondContact O-N 2.91Å; R246-V248 VanDerWaalsContact C-N 3.3Å; R246-V248 PolarHBondContact O-N 3.24Å; V248-E250 PolarHBondContact O-N 3.36Å; V248-N251 PolarHBondContact O-N 3.47Å; V248-I252 HydrophobicContact CG1-CB 4Å; V248-I252 HydrophobicContact CG1-CG1 4.29Å; V248-I252 HydrophobicContact CG1-CG2 4.22Å; V248-I252 WeakPolarHBondContact O-CB 3.18Å; V248-I252 WeakPolarHBondContact O-CG2 3.15Å; V248-I252 PolarHBondContact O-N 3.26Å; V248-I262 HydrophobicContact CG1-CD1 3.9Å; V248-I262 HydrophobicContact CG1-CG1 4.33Å
249	S	97.4	Very high	98.1	Very high	38 Å²	38	23.8 Å²	23.8	27%	0.266	13%	0.134	S	C	.	.	H	α-helix	trans	-55.7	-37.8	177.5	-176.3	0	0	0	0	112.7	L245 R246 P259	L245-S249 WeakPolarHBondContact O-CB 3.25Å; L245-S249 PolarHBondContact O-N 2.83Å; R246-S249 PolarHBondContact O-N 3.26Å; S249-P259 VanDerWaalsContact O-CB 3.3Å; S249-P259 WeakPolarHBondContact O-CB 3.19Å
250	E	97.8	Very high	98	Very high	103 Å²	103	32 Å²	32	48%	0.481	16%	0.164	S	C	.	.	H	α-helix	trans	-80.5	-34	179.7	-70.6	172.7	-174.5	0	0	113.7	H47 R246 W247 V248	H47-E250 PolarHBondContact CD2-O 2.84Å; H47-E250 PolarHBondContact NE2-O 3.22Å; R246-E250 WeakPolarHBondContact O-CG 3.27Å; R246-E250 PolarHBondContact O-N 3.3Å; W247-E250 PolarHBondContact O-N 2.82Å; V248-E250 PolarHBondContact O-N 3.36Å
251	N	98.4	Very high	97.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-114.1	-16.3	-165.9	-64.1	-90.1	0	0	0	114.9	T46 H47 W247 V248 A253 F254 F255	T46-N251 WeakPolarHBondContact CB-OD1 3.38Å; H47-N251 WeakPolarHBondContact CB-OD1 3.47Å; H47-N251 PolarHBondContact CD2-OD1 3.32Å; H47-N251 PolarHBondContact N-OD1 2.82Å; W247-N251 HydrophobicContact CD2-CB 4.18Å; W247-N251 HydrophobicContact CE3-CB 4.23Å; W247-N251 HydrophobicContact CH2-CB 4.07Å; W247-N251 HydrophobicContact CZ2-CB 4.02Å; W247-N251 HydrophobicContact CZ3-CB 4.17Å; W247-N251 VanDerWaalsContact O-CB 3.27Å; W247-N251 WeakPolarHBondContact O-CB 3.5Å; W247-N251 PolarHBondContact O-N 3.07Å; W247-N251 PolarHBondContact O-ND2 2.74Å; V248-N251 PolarHBondContact O-N 3.47Å; N251-A253 PolarHBondContact O-N 3.04Å; N251-F254 HydrophobicContact CB-CD2 4.26Å; N251-F254 WeakPolarHBondContact O-CB 3.25Å; N251-F254 VanDerWaalsContact O-CD2 3.26Å; N251-F254 WeakPolarHBondContact O-CD2 3.39Å; N251-F254 PolarHBondContact O-N 3.05Å; N251-F255 WeakPolarHBondContact O-CD2 3.5Å
252	I	98.3	Very high	97.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-68.6	-22.5	-170.5	-154.8	59.6	0	0	0	113.7	V146 V182 I211 I213 V248 F254 F255 G256 G257 P259	V146-I252 HydrophobicContact CG1-CD1 4.06Å; V182-I252 HydrophobicContact CG1-CG1 4.05Å; V182-I252 HydrophobicContact CG2-CB 4.47Å; V182-I252 HydrophobicContact CG2-CG1 3.71Å; V182-I252 HydrophobicContact CG2-CG2 3.98Å; I211-I252 HydrophobicContact CD1-CD1 4.45Å; I211-I252 HydrophobicContact CD1-CG1 4.35Å; I211-I252 HydrophobicContact CG2-CD1 4.08Å; I213-I252 HydrophobicContact CD1-CD1 3.63Å; I213-I252 HydrophobicContact CD1-CG1 4.3Å; V248-I252 HydrophobicContact CG1-CB 4Å; V248-I252 HydrophobicContact CG1-CG1 4.29Å; V248-I252 HydrophobicContact CG1-CG2 4.22Å; V248-I252 WeakPolarHBondContact O-CB 3.18Å; V248-I252 WeakPolarHBondContact O-CG2 3.15Å; V248-I252 PolarHBondContact O-N 3.26Å; I252-F254 PolarHBondContact O-N 2.64Å; I252-F255 HydrophobicContact CD1-CB 4.15Å; I252-F255 HydrophobicContact CD1-CD2 4.08Å; I252-F255 HydrophobicContact CD1-CG 4.29Å; I252-F255 WeakPolarHBondContact O-CB 3.41Å; I252-F255 PolarHBondContact O-N 3.32Å; I252-G256 PolarHBondContact O-N 3.18Å; I252-G257 PolarHBondContact O-N 2.92Å; I252-P259 HydrophobicContact CG2-CB 4.27Å
253	A	97.3	Very high	97.9	Very high	58 Å²	58	35.2 Å²	35.2	48%	0.479	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-56.7	-33.8	170.9	0	0	0	0	0	113	N251 F255 G256 G257	N251-A253 PolarHBondContact O-N 3.04Å; A253-F255 PolarHBondContact O-N 3.41Å; A253-G256 PolarHBondContact O-N 3.49Å; A253-G257 VanDerWaalsContact CA-O 3.31Å; A253-G257 WeakPolarHBondContact CA-O 3.46Å
254	F	96.9	Very high	97.9	Very high	89 Å²	89	34.5 Å²	34.5	39%	0.39	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-70.6	-16.2	176.9	-56	-62.8	0	0	0	113.7	V44 N45 H47 N251 I252	V44-F254 HydrophobicContact CG1-CB 3.76Å; V44-F254 WeakPolarHBondContact CG1-O 3.29Å; N45-F254 WeakPolarHBondContact O-CB 3.45Å; N45-F254 WeakPolarHBondContact O-CD1 3.47Å; N45-F254 WeakPolarHBondContact O-CD2 3.28Å; N45-F254 WeakPolarHBondContact O-CG 3.17Å; H47-F254 AromaticContact CD2-CE2 3.61Å; H47-F254 AromaticContact CE1-CZ 3.88Å; H47-F254 AromaticContact NE2-CE2 3.61Å; H47-F254 AromaticContact NE2-CZ 3.71Å; N251-F254 HydrophobicContact CB-CD2 4.26Å; N251-F254 WeakPolarHBondContact O-CB 3.25Å; N251-F254 VanDerWaalsContact O-CD2 3.26Å; N251-F254 WeakPolarHBondContact O-CD2 3.39Å; N251-F254 PolarHBondContact O-N 3.05Å; I252-F254 PolarHBondContact O-N 2.64Å
255	F	96.9	Very high	97.9	Very high	13 Å²	13	34.4 Å²	34.4	6%	0.057	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-97.9	4.2	173.3	-59.6	-98.1	0	0	0	112.1	V44 T46 L51 Y69 V146 V148 I211 W247 N251 I252 A253	V44-F255 HydrophobicContact CB-CD1 4.35Å; V44-F255 HydrophobicContact CB-CE1 4.13Å; V44-F255 HydrophobicContact CB-CZ 4.46Å; V44-F255 HydrophobicContact CG1-CD1 4.04Å; V44-F255 HydrophobicContact CG1-CD2 4.07Å; V44-F255 HydrophobicContact CG1-CE1 3.85Å; V44-F255 HydrophobicContact CG1-CE2 3.89Å; V44-F255 HydrophobicContact CG1-CG 4.16Å; V44-F255 HydrophobicContact CG1-CZ 3.79Å; V44-F255 HydrophobicContact CG2-CD1 4.11Å; V44-F255 HydrophobicContact CG2-CE1 4.35Å; T46-F255 HydrophobicContact CG2-CE2 4.03Å; T46-F255 HydrophobicContact CG2-CZ 4.11Å; L51-F255 HydrophobicContact CD1-CZ 3.89Å; Y69-F255 AromaticContact CD1-CE1 3.94Å; Y69-F255 HydrophobicContact CD1-CE1 3.94Å; Y69-F255 AromaticContact CD2-CD1 3.85Å; Y69-F255 HydrophobicContact CD2-CD1 3.85Å; Y69-F255 AromaticContact CD2-CE1 3.71Å; Y69-F255 HydrophobicContact CD2-CE1 3.71Å; Y69-F255 HydrophobicContact CE1-CE1 4.17Å; Y69-F255 AromaticContact CE2-CD1 3.82Å; Y69-F255 HydrophobicContact CE2-CD1 3.82Å; Y69-F255 AromaticContact CE2-CE1 3.97Å; Y69-F255 HydrophobicContact CE2-CE1 3.97Å; Y69-F255 HydrophobicContact CG-CD1 4.32Å; Y69-F255 AromaticContact CG-CE1 3.7Å; Y69-F255 HydrophobicContact CG-CE1 3.7Å; V146-F255 HydrophobicContact CB-CE1 4.5Å; V146-F255 HydrophobicContact CG1-CD1 4.1Å; V146-F255 HydrophobicContact CG1-CG 4.37Å; V148-F255 HydrophobicContact CG2-CB 4.06Å; V148-F255 HydrophobicContact CG2-CD1 4.2Å; I211-F255 HydrophobicContact CD1-CB 4.12Å; I211-F255 WeakPolarHBondContact CD1-O 3.1Å; W247-F255 AromaticContact CH2-CE2 3.71Å; W247-F255 HydrophobicContact CH2-CE2 3.71Å; W247-F255 AromaticContact CH2-CZ 3.95Å; W247-F255 HydrophobicContact CH2-CZ 3.95Å; W247-F255 HydrophobicContact CZ3-CE2 4.4Å; N251-F255 WeakPolarHBondContact O-CD2 3.5Å; I252-F255 HydrophobicContact CD1-CB 4.15Å; I252-F255 HydrophobicContact CD1-CD2 4.08Å; I252-F255 HydrophobicContact CD1-CG 4.29Å; I252-F255 WeakPolarHBondContact O-CB 3.41Å; I252-F255 PolarHBondContact O-N 3.32Å; A253-F255 PolarHBondContact O-N 3.41Å
256	G	95.9	Very high	97.9	Very high	35 Å²	35	34.4 Å²	34.4	36%	0.361	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	21.9	-175.5	0	0	0	0	0	114.4	A179 K180 I252 A253	A179-G256 CarbonylContact C-O 3.55Å; A179-G256 WeakPolarHBondContact CA-O 3.48Å; K180-G256 PolarHBondContact N-O 2.82Å; I252-G256 PolarHBondContact O-N 3.18Å; A253-G256 PolarHBondContact O-N 3.49Å
257	G	97.5	Very high	97.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	154.2	175.5	0	0	0	0	0	114	K180 I252 A253 P259	K180-G257 CarbonylContact O-C 3.53Å; K180-G257 VanDerWaalsContact O-CA 3.31Å; K180-G257 WeakPolarHBondContact O-CA 3.49Å; I252-G257 PolarHBondContact O-N 2.92Å; A253-G257 VanDerWaalsContact CA-O 3.31Å; A253-G257 WeakPolarHBondContact CA-O 3.46Å; G257-P259 WeakPolarHBondContact O-CD 3.26Å
258	D	97.6	Very high	97.8	Very high	14 Å²	14	31 Å²	31	8%	0.075	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	109.8	177.4	-174.4	-2.1	0	0	0	110.4	A179 K180 R260 R261	A179-D258 HydrophobicContact CB-CB 3.71Å; K180-D258 PolarHBondContact O-N 2.92Å; D258-R260 PolarHBondContact O-N 2.85Å; D258-R260 VanDerWaalsContact O-N 3.11Å; D258-R260 WeakPolarHBondContact OD1-CB 3.45Å; D258-R260 PolarHBondContact OD1-N 2.88Å; D258-R260 IonicContact OD1-NE 3.92Å; D258-R260 PolarHBondContact OD1-NE 3.46Å; D258-R261 HydrophobicContact CB-CB 4.25Å; D258-R261 PolarHBondContact O-N 3.12Å; D258-R261 WeakPolarHBondContact OD2-CG 3.44Å; D258-R261 IonicContact OD2-CZ 3.25Å; D258-R261 IonicContact OD2-NE 3.77Å; D258-R261 PolarHBondContact OD2-NE 2.84Å; D258-R261 IonicContact OD2-NH2 3.46Å
259	P	97.2	Very high	97.7	Very high	37 Å²	37	31.2 Å²	31.2	24%	0.24	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	-11.2	179.4	28.4	-35.1	0	0	0	113.4	S249 I252 G257 I262 Q288	S249-P259 VanDerWaalsContact O-CB 3.3Å; S249-P259 WeakPolarHBondContact O-CB 3.19Å; I252-P259 HydrophobicContact CG2-CB 4.27Å; G257-P259 WeakPolarHBondContact O-CD 3.26Å; P259-I262 HydrophobicContact CB-CD1 4.41Å; P259-I262 WeakPolarHBondContact O-CD1 3.37Å; P259-Q288 PolarHBondContact O-NE2 2.95Å
260	R	96.9	Very high	97.7	Very high	189 Å²	189	29.4 Å²	29.4	71%	0.713	15%	0.15	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	3	173.8	-52	175.7	-59.6	164.2	7.9	113.2	D258 Q288	D258-R260 PolarHBondContact O-N 2.85Å; D258-R260 VanDerWaalsContact O-N 3.11Å; D258-R260 WeakPolarHBondContact OD1-CB 3.45Å; D258-R260 PolarHBondContact OD1-N 2.88Å; D258-R260 IonicContact OD1-NE 3.92Å; D258-R260 PolarHBondContact OD1-NE 3.46Å; R260-Q288 VanDerWaalsContact C-CD 3.42Å; R260-Q288 VanDerWaalsContact O-CD 3.3Å; R260-Q288 PolarHBondContact O-OE1 3.49Å; R260-Q288 VanDerWaalsContact O-OE1 3.09Å
261	R	97.6	Very high	97.8	Very high	68 Å²	68	24.5 Å²	24.5	26%	0.257	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	49.1	176.8	-62.8	-169.3	-67.6	161.9	-1.8	111.2	A179 P181 V182 D258 K546	A179-R261 PolarHBondContact O-NH2 3.29Å; P181-R261 HydrophobicContact CB-CB 4.36Å; V182-R261 PolarHBondContact N-O 3.37Å; D258-R261 HydrophobicContact CB-CB 4.25Å; D258-R261 PolarHBondContact O-N 3.12Å; D258-R261 WeakPolarHBondContact OD2-CG 3.44Å; D258-R261 IonicContact OD2-CZ 3.25Å; D258-R261 IonicContact OD2-NE 3.77Å; D258-R261 PolarHBondContact OD2-NE 2.84Å; D258-R261 IonicContact OD2-NH2 3.46Å; R261-K546 PolarHBondContact NH1-O 2.99Å
262	I	98.8	Very high	97.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	124	170.6	-60.6	168.3	0	0	0	108.7	V182 V184 L245 V248 P259 V264 L286 F287 Q288 R289	V182-I262 HydrophobicContact CB-CG1 4.11Å; V182-I262 CarbonylContact O-C 3.5Å; V182-I262 WeakPolarHBondContact O-CA 3.3Å; V184-I262 HydrophobicContact CG2-CG2 3.91Å; L245-I262 HydrophobicContact CD2-CG2 4.4Å; V248-I262 HydrophobicContact CG1-CD1 3.9Å; V248-I262 HydrophobicContact CG1-CG1 4.33Å; P259-I262 HydrophobicContact CB-CD1 4.41Å; P259-I262 WeakPolarHBondContact O-CD1 3.37Å; I262-V264 HydrophobicContact CG2-CG2 4.44Å; I262-L286 WeakPolarHBondContact CD1-O 3.4Å; I262-F287 HydrophobicContact CB-CB 4.04Å; I262-F287 HydrophobicContact CG2-CB 3.69Å; I262-Q288 PolarHBondContact O-N 3.31Å; I262-Q288 PolarHBondContact O-OE1 3.05Å; I262-R289 PolarHBondContact O-N 2.92Å
263	T	98.9	Very high	97.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.2	173.4	-58.1	0	0	0	0	108.4	V182 M183 V184 R289 I291 F544 A545	V182-T263 PolarHBondContact O-N 3.08Å; M183-T263 CarbonylContact C-O 3.5Å; M183-T263 WeakPolarHBondContact CA-O 3.27Å; V184-T263 PolarHBondContact N-O 2.94Å; T263-R289 CarbonylContact C-O 3.56Å; T263-R289 WeakPolarHBondContact CA-O 3.26Å; T263-R289 HydrophobicContact CG2-CB 3.9Å; T263-I291 HydrophobicContact CG2-CD1 4.05Å; T263-I291 HydrophobicContact CG2-CG1 3.89Å; T263-F544 HydrophobicContact CG2-CD1 4.42Å; T263-F544 HydrophobicContact CG2-CE1 4.49Å; T263-A545 HydrophobicContact CG2-CB 4.31Å; T263-A545 VanDerWaalsContact OG1-CA 3.3Å; T263-A545 WeakPolarHBondContact OG1-CA 3.02Å; T263-A545 WeakPolarHBondContact OG1-CB 3.42Å
264	V	98.9	Very high	97.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	136.1	176.2	-164.9	0	0	0	0	108.5	V184 I186 L245 I262 V274 F287 R289 A290 I291	V184-V264 CarbonylContact O-C 3.57Å; V184-V264 WeakPolarHBondContact O-CA 3.49Å; I186-V264 HydrophobicContact CD1-CG1 3.58Å; I186-V264 HydrophobicContact CG1-CG1 3.92Å; L245-V264 HydrophobicContact CD1-CG2 4.27Å; L245-V264 HydrophobicContact CD2-CG2 3.62Å; I262-V264 HydrophobicContact CG2-CG2 4.44Å; V264-V274 HydrophobicContact CB-CG2 4.48Å; V264-V274 HydrophobicContact CG1-CG2 3.8Å; V264-F287 HydrophobicContact CB-CD2 4.44Å; V264-F287 HydrophobicContact CG2-CB 3.64Å; V264-F287 HydrophobicContact CG2-CD1 3.65Å; V264-F287 HydrophobicContact CG2-CD2 3.74Å; V264-F287 HydrophobicContact CG2-CE1 4.16Å; V264-F287 HydrophobicContact CG2-CE2 4.25Å; V264-F287 HydrophobicContact CG2-CG 3.41Å; V264-F287 VanDerWaalsContact CG2-CG 3.41Å; V264-F287 HydrophobicContact CG2-CZ 4.45Å; V264-R289 PolarHBondContact N-O 3.31Å; V264-A290 CarbonylContact O-C 3.02Å; V264-A290 VanDerWaalsContact O-CA 3.3Å; V264-A290 WeakPolarHBondContact O-CA 3.31Å; V264-I291 PolarHBondContact O-N 3.28Å
265	F	98.9	Very high	98	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	155.2	178.9	73	-61.2	0	0	0	112.7	M183 V184 Y185 I186 L204 I291 V510 F511	M183-F265 HydrophobicContact CB-CD1 4.23Å; M183-F265 HydrophobicContact CB-CE1 3.73Å; M183-F265 HydrophobicContact CB-CZ 4.49Å; M183-F265 HydrophobicContact CE-CD1 4.26Å; M183-F265 HydrophobicContact CE-CE1 4.22Å; M183-F265 HydrophobicContact CE-CG 4.47Å; M183-F265 HydrophobicContact CE-CZ 4.35Å; V184-F265 WeakPolarHBondContact O-CD1 3.36Å; V184-F265 PolarHBondContact O-N 3.26Å; Y185-F265 CarbonylContact C-O 3.57Å; Y185-F265 VanDerWaalsContact CA-O 3.29Å; Y185-F265 WeakPolarHBondContact CA-O 3.32Å; Y185-F265 HydrophobicContact CD2-CD1 4.27Å; Y185-F265 AromaticContact CD2-CD2 3.7Å; Y185-F265 HydrophobicContact CD2-CD2 3.7Å; Y185-F265 HydrophobicContact CD2-CE1 4.13Å; Y185-F265 AromaticContact CD2-CE2 3.57Å; Y185-F265 HydrophobicContact CD2-CE2 3.57Å; Y185-F265 HydrophobicContact CD2-CG 4.05Å; Y185-F265 AromaticContact CD2-CZ 3.8Å; Y185-F265 HydrophobicContact CD2-CZ 3.8Å; Y185-F265 WeakPolarHBondContact CD2-O 3.41Å; Y185-F265 HydrophobicContact CE2-CD2 4.28Å; Y185-F265 HydrophobicContact CE2-CE2 4.25Å; Y185-F265 HydrophobicContact CG-CE1 4.37Å; Y185-F265 HydrophobicContact CG-CE2 4.38Å; Y185-F265 HydrophobicContact CG-CZ 4.18Å; I186-F265 PolarHBondContact N-O 2.87Å; L204-F265 HydrophobicContact CD2-CE2 4.39Å; L204-F265 HydrophobicContact CD2-CZ 3.94Å; F265-I291 VanDerWaalsContact CA-O 3.26Å; F265-I291 WeakPolarHBondContact CA-O 3.29Å; F265-I291 HydrophobicContact CB-CB 3.67Å; F265-I291 HydrophobicContact CB-CD1 4.41Å; F265-I291 HydrophobicContact CB-CG1 4.26Å; F265-V510 HydrophobicContact CD2-CG1 4.44Å; F265-V510 HydrophobicContact CE2-CG1 3.88Å; F265-F511 HydrophobicContact CE2-CE1 4.09Å; F265-F511 HydrophobicContact CE2-CE2 4.07Å; F265-F511 AromaticContact CE2-CZ 3.43Å; F265-F511 HydrophobicContact CE2-CZ 3.43Å; F265-F511 VanDerWaalsContact CE2-CZ 3.43Å; F265-F511 AromaticContact CZ-CE1 3.8Å; F265-F511 HydrophobicContact CZ-CE1 3.8Å; F265-F511 AromaticContact CZ-CZ 3.5Å; F265-F511 HydrophobicContact CZ-CZ 3.5Å; F265-F511 VanDerWaalsContact CZ-CZ 3.5Å
266	G	98.7	Very high	98.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	166.1	179.9	0	0	0	0	0	111.3	I186 A271 I291 Q293	I186-G266 VanDerWaalsContact O-CA 3.3Å; I186-G266 WeakPolarHBondContact O-CA 3.41Å; G266-A271 WeakPolarHBondContact O-CB 3.3Å; G266-I291 PolarHBondContact N-O 3.48Å; G266-Q293 VanDerWaalsContact O-CB 3.27Å; G266-Q293 WeakPolarHBondContact O-CB 3.45Å; G266-Q293 PolarHBondContact O-N 3.48Å; G266-Q293 VanDerWaalsContact O-N 3.11Å
267	S	98.3	Very high	98.2	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.014	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	141.8	174.7	-177.2	0	0	0	0	111	I269 G270 Q293 E506	S267-I269 PolarHBondContact O-N 2.88Å; S267-G270 WeakPolarHBondContact O-CA 3.29Å; S267-G270 PolarHBondContact O-N 3.32Å; S267-Q293 VanDerWaalsContact CA-O 3.29Å; S267-Q293 WeakPolarHBondContact CA-O 3.38Å; S267-E506 WeakPolarHBondContact CB-OE1 3.41Å; S267-E506 PolarHBondContact OG-OE1 3.16Å
268	G	96.8	Very high	98.2	Very high	5 Å²	5	15.5 Å²	15.5	5%	0.052	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	-127.9	-177.5	0	0	0	0	0	111.8	G270 A271 S272 Q293 S294 H503	G268-G270 PolarHBondContact O-N 2.83Å; G268-A271 WeakPolarHBondContact O-CA 3.34Å; G268-A271 VanDerWaalsContact O-CB 3.27Å; G268-A271 WeakPolarHBondContact O-CB 3.2Å; G268-A271 PolarHBondContact O-N 3.24Å; G268-S272 PolarHBondContact O-N 3.3Å; G268-Q293 PolarHBondContact N-O 2.86Å; G268-S294 WeakPolarHBondContact CA-O 3.2Å; G268-H503 VanDerWaalsContact CA-CE1 3.5Å; G268-H503 WeakPolarHBondContact CA-CE1 3.22Å; G268-H503 WeakPolarHBondContact CA-NE2 3.49Å
269	I	96.7	Very high	98.2	Very high	4 Å²	4	15 Å²	15	2%	0.021	7%	0.065	C	C	.	.	H	α-helix	trans	-56.4	-29.1	171.9	-71.1	-53.5	0	0	0	113	G189 Y191 S267 A271 S272 C273	G189-I269 WeakPolarHBondContact O-CB 3.26Å; G189-I269 WeakPolarHBondContact O-CG1 3.38Å; Y191-I269 HydrophobicContact CD1-CG2 3.35Å; Y191-I269 HydrophobicContact CD2-CD1 4.18Å; Y191-I269 HydrophobicContact CD2-CG2 3.96Å; Y191-I269 HydrophobicContact CE1-CG2 3.31Å; Y191-I269 HydrophobicContact CE2-CD1 3.7Å; Y191-I269 HydrophobicContact CE2-CG1 4.44Å; Y191-I269 HydrophobicContact CE2-CG2 3.95Å; Y191-I269 HydrophobicContact CG-CG2 3.68Å; S267-I269 PolarHBondContact O-N 2.88Å; I269-A271 VanDerWaalsContact C-N 3.26Å; I269-A271 PolarHBondContact O-N 2.6Å; I269-S272 WeakPolarHBondContact O-CB 3.31Å; I269-S272 PolarHBondContact O-N 2.94Å; I269-C273 PolarHBondContact O-N 3.32Å; I269-C273 PolarHBondContact O-SG 2.74Å; I269-C273 VanDerWaalsContact O-SG 3.38Å
270	G	98.3	Very high	98.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-63	-35.6	172.6	0	0	0	0	0	111.8	I186 G188 S267 G268 C273 V274	I186-G270 WeakPolarHBondContact O-CA 3.47Å; G188-G270 VanDerWaalsContact CA-N 3.32Å; S267-G270 WeakPolarHBondContact O-CA 3.29Å; S267-G270 PolarHBondContact O-N 3.32Å; G268-G270 PolarHBondContact O-N 2.83Å; G270-C273 WeakPolarHBondContact O-CB 3.36Å; G270-C273 PolarHBondContact O-N 2.84Å; G270-V274 WeakPolarHBondContact O-CG2 3.38Å; G270-V274 PolarHBondContact O-N 3.42Å; G270-V274 VanDerWaalsContact O-N 3.08Å
271	A	98.7	Very high	98.2	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-73.7	-35.6	173.9	0	0	0	0	0	112.3	G266 G268 I269 C273 V274 S275 I292 Q293	G266-A271 WeakPolarHBondContact O-CB 3.3Å; G268-A271 WeakPolarHBondContact O-CA 3.34Å; G268-A271 VanDerWaalsContact O-CB 3.27Å; G268-A271 WeakPolarHBondContact O-CB 3.2Å; G268-A271 PolarHBondContact O-N 3.24Å; I269-A271 VanDerWaalsContact C-N 3.26Å; I269-A271 PolarHBondContact O-N 2.6Å; A271-C273 VanDerWaalsContact C-N 3.35Å; A271-V274 PolarHBondContact O-N 2.92Å; A271-S275 WeakPolarHBondContact O-CB 3.2Å; A271-S275 PolarHBondContact O-N 2.88Å; A271-I292 HydrophobicContact CB-CG2 3.8Å; A271-Q293 WeakPolarHBondContact CB-O 3.35Å
272	S	98.6	Very high	98.1	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-60	-43.2	169.3	-64.7	0	0	0	0	111.6	G268 I269 S275 L276 S296	G268-S272 PolarHBondContact O-N 3.3Å; I269-S272 WeakPolarHBondContact O-CB 3.31Å; I269-S272 PolarHBondContact O-N 2.94Å; S272-S275 PolarHBondContact O-N 3.41Å; S272-L276 WeakPolarHBondContact O-CB 3.1Å; S272-L276 WeakPolarHBondContact O-CG 3.4Å; S272-L276 PolarHBondContact O-N 3.28Å; S272-S296 WeakPolarHBondContact CB-O 3.27Å; S272-S296 PolarHBondContact OG-O 2.8Å
273	C	98.8	Very high	98	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-55.7	-50.6	170.2	-69.3	0	0	0	0	111.7	I186 L238 Q241 I269 G270 A271 S275 L276 L277	I186-C273 HydrophobicContact CG2-CB 3.84Å; L238-C273 HydrophobicContact CD2-CB 4.36Å; Q241-C273 PolarHBondContact NE2-SG 2.99Å; Q241-C273 VanDerWaalsContact NE2-SG 3.37Å; I269-C273 PolarHBondContact O-N 3.32Å; I269-C273 PolarHBondContact O-SG 2.74Å; I269-C273 VanDerWaalsContact O-SG 3.38Å; G270-C273 WeakPolarHBondContact O-CB 3.36Å; G270-C273 PolarHBondContact O-N 2.84Å; A271-C273 VanDerWaalsContact C-N 3.35Å; C273-S275 VanDerWaalsContact C-N 3.33Å; C273-S275 PolarHBondContact O-N 2.9Å; C273-L276 PolarHBondContact O-N 3.04Å; C273-L277 WeakPolarHBondContact O-CB 3.17Å; C273-L277 VanDerWaalsContact O-CG 3.27Å; C273-L277 WeakPolarHBondContact O-CG 3.32Å; C273-L277 PolarHBondContact O-N 2.89Å
274	V	98.8	Very high	97.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-57.9	-44.5	177.6	176.5	0	0	0	0	111.7	I186 V264 G270 A271 L276 L277 T278 A290 I292	I186-V274 HydrophobicContact CD1-CG2 4.13Å; V264-V274 HydrophobicContact CB-CG2 4.48Å; V264-V274 HydrophobicContact CG1-CG2 3.8Å; G270-V274 WeakPolarHBondContact O-CG2 3.38Å; G270-V274 PolarHBondContact O-N 3.42Å; G270-V274 VanDerWaalsContact O-N 3.08Å; A271-V274 PolarHBondContact O-N 2.92Å; V274-L276 PolarHBondContact O-N 3.45Å; V274-L277 PolarHBondContact O-N 2.74Å; V274-T278 PolarHBondContact O-N 3.48Å; V274-A290 HydrophobicContact CG1-CB 3.61Å; V274-I292 HydrophobicContact CB-CG1 4.41Å; V274-I292 HydrophobicContact CG1-CG1 3.88Å
275	S	98.5	Very high	97.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.3	-39.5	177.3	-169.9	0	0	0	0	112.5	A271 S272 C273 T278 L279 A297 M371	A271-S275 WeakPolarHBondContact O-CB 3.2Å; A271-S275 PolarHBondContact O-N 2.88Å; S272-S275 PolarHBondContact O-N 3.41Å; C273-S275 VanDerWaalsContact C-N 3.33Å; C273-S275 PolarHBondContact O-N 2.9Å; S275-T278 PolarHBondContact O-N 3.02Å; S275-T278 PolarHBondContact O-OG1 3.08Å; S275-L279 WeakPolarHBondContact O-CG 3.42Å; S275-A297 WeakPolarHBondContact OG-CB 3.32Å; S275-A297 PolarHBondContact OG-N 3.33Å; S275-M371 WeakPolarHBondContact OG-CE 3.49Å
276	L	98.7	Very high	97.5	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-70.3	-38	175.6	-71.9	165.9	0	0	0	111.8	L238 S272 C273 V274 T278 L279 S280 A297 V303 P356 I363 P367	L238-L276 HydrophobicContact CD1-CB 4.47Å; L238-L276 HydrophobicContact CD1-CD1 4.5Å; S272-L276 WeakPolarHBondContact O-CB 3.1Å; S272-L276 WeakPolarHBondContact O-CG 3.4Å; S272-L276 PolarHBondContact O-N 3.28Å; C273-L276 PolarHBondContact O-N 3.04Å; V274-L276 PolarHBondContact O-N 3.45Å; L276-T278 VanDerWaalsContact C-N 3.3Å; L276-T278 PolarHBondContact O-N 3.16Å; L276-L279 PolarHBondContact O-N 2.83Å; L276-S280 PolarHBondContact O-N 3.5Å; L276-A297 HydrophobicContact CD2-CB 3.73Å; L276-A297 HydrophobicContact CG-CB 3.88Å; L276-V303 HydrophobicContact CD2-CG2 4.22Å; L276-P356 HydrophobicContact CD1-CB 3.66Å; L276-P356 HydrophobicContact CD1-CG 3.57Å; L276-I363 HydrophobicContact CB-CD1 4.01Å; L276-I363 HydrophobicContact CD2-CD1 3.87Å; L276-I363 HydrophobicContact CD2-CG1 4.47Å; L276-I363 HydrophobicContact CG-CD1 4.5Å; L276-P367 HydrophobicContact CD2-CG 3.88Å
277	L	98.7	Very high	97.5	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-62.9	-35.2	175.1	-70.8	173.9	0	0	0	112.1	I186 Q241 I242 L245 C273 V274 L279 S280 S283 F287	I186-L277 HydrophobicContact CD1-CD1 3.39Å; Q241-L277 HydrophobicContact CB-CD1 4.2Å; I242-L277 HydrophobicContact CD1-CD2 3.93Å; I242-L277 HydrophobicContact CG1-CD2 3.46Å; I242-L277 VanDerWaalsContact CG1-CD2 3.46Å; L245-L277 HydrophobicContact CD1-CD1 4.09Å; C273-L277 WeakPolarHBondContact O-CB 3.17Å; C273-L277 VanDerWaalsContact O-CG 3.27Å; C273-L277 WeakPolarHBondContact O-CG 3.32Å; C273-L277 PolarHBondContact O-N 2.89Å; V274-L277 PolarHBondContact O-N 2.74Å; L277-L279 PolarHBondContact O-N 3.12Å; L277-S280 PolarHBondContact O-N 3.42Å; L277-S283 WeakPolarHBondContact O-CB 3.48Å; L277-S283 PolarHBondContact O-OG 2.9Å; L277-F287 HydrophobicContact CB-CE1 4.28Å; L277-F287 HydrophobicContact CB-CZ 4.26Å
278	T	98	Very high	97.4	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.018	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-14.9	173.3	56.2	0	0	0	0	114.3	V274 S275 L276 F287 A290 F376 Y379	V274-T278 PolarHBondContact O-N 3.48Å; S275-T278 PolarHBondContact O-N 3.02Å; S275-T278 PolarHBondContact O-OG1 3.08Å; L276-T278 VanDerWaalsContact C-N 3.3Å; L276-T278 PolarHBondContact O-N 3.16Å; T278-F287 HydrophobicContact CG2-CE2 3.87Å; T278-F287 HydrophobicContact CG2-CZ 3.92Å; T278-A290 HydrophobicContact CG2-CB 3.93Å; T278-F376 VanDerWaalsContact O-CA 3.29Å; T278-F376 WeakPolarHBondContact O-CA 3.05Å; T278-F376 VanDerWaalsContact O-CB 3.25Å; T278-F376 WeakPolarHBondContact O-CB 3.36Å; T278-Y379 HydrophobicContact CG2-CD2 3.75Å; T278-Y379 HydrophobicContact CG2-CE2 4.04Å; T278-Y379 HydrophobicContact CG2-CG 4.17Å; T278-Y379 WeakPolarHBondContact O-CE2 3.39Å
279	L	97.5	Very high	97.5	Very high	5 Å²	5	21 Å²	21	3%	0.026	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-0.5	178.2	-61.7	167.9	0	0	0	112.8	S275 L276 L277 A297 P367 L370 M371 F376	S275-L279 WeakPolarHBondContact O-CG 3.42Å; L276-L279 PolarHBondContact O-N 2.83Å; L277-L279 PolarHBondContact O-N 3.12Å; L279-A297 HydrophobicContact CD1-CB 4.19Å; L279-P367 HydrophobicContact CD1-CB 3.86Å; L279-L370 HydrophobicContact CB-CB 4.4Å; L279-L370 HydrophobicContact CB-CD1 4.1Å; L279-L370 HydrophobicContact CD1-CB 4.5Å; L279-L370 HydrophobicContact CD2-CB 3.86Å; L279-L370 HydrophobicContact CG-CB 4.48Å; L279-M371 HydrophobicContact CD1-CE 3.9Å; L279-M371 HydrophobicContact CD1-CG 4.13Å; L279-M371 HydrophobicContact CD2-CG 3.72Å; L279-F376 HydrophobicContact CD2-CB 3.79Å; L279-F376 HydrophobicContact CD2-CD1 4.43Å; L279-F376 HydrophobicContact CD2-CD2 4.26Å; L279-F376 HydrophobicContact CD2-CG 3.93Å
280	S	97.3	Very high	97.6	Very high	4 Å²	4	20.8 Å²	20.8	3%	0.028	11%	0.113	C	C	.	.			trans	-101.2	122.4	-177.3	-169.9	0	0	0	0	111.5	L276 L277 H282 S283 V362	L276-S280 PolarHBondContact O-N 3.5Å; L277-S280 PolarHBondContact O-N 3.42Å; S280-H282 PolarHBondContact O-N 3.45Å; S280-H282 VanDerWaalsContact O-N 3.1Å; S280-S283 VanDerWaalsContact O-CB 3.28Å; S280-S283 WeakPolarHBondContact O-CB 3.37Å; S280-S283 PolarHBondContact O-N 3.36Å; S280-V362 WeakPolarHBondContact CB-O 3.26Å; S280-V362 PolarHBondContact OG-O 3.06Å
281	H	95.6	Very high	97.7	Very high	90 Å²	90	20.8 Å²	20.8	42%	0.417	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-58.7	-23.4	174.6	76.5	-90.7	0	0	0	113	S283 E284 D361	H281-S283 PolarHBondContact O-N 3.19Å; H281-E284 PolarHBondContact O-N 3.49Å; H281-D361 PolarHBondContact CE1-O 2.64Å; H281-D361 IonicContact CE1-OD1 3.6Å; H281-D361 PolarHBondContact ND1-O 2.86Å; H281-D361 VanDerWaalsContact ND1-O 3.16Å
282	H	96.6	Very high	97.7	Very high	46 Å²	46	20.8 Å²	20.8	21%	0.213	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-67.9	-16.6	175.2	-75.2	-90.7	0	0	0	114.2	I242 R246 S280 D361	I242-H282 HydrophobicContact CD1-CB 3.84Å; I242-H282 HydrophobicContact CG2-CB 4.32Å; R246-H282 PolarHBondContact NH2-O 2.85Å; R246-H282 VanDerWaalsContact NH2-O 3.13Å; S280-H282 PolarHBondContact O-N 3.45Å; S280-H282 VanDerWaalsContact O-N 3.1Å; H282-D361 IonicContact CD2-OD1 2.87Å; H282-D361 IonicContact CE1-OD1 4Å; H282-D361 IonicContact NE2-OD1 2.72Å; H282-D361 PolarHBondContact NE2-OD1 3.02Å
283	S	96.2	Very high	97.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-92	-10.8	179.9	-60.5	0	0	0	0	114.2	L277 S280 H281 G285 L286	L277-S283 WeakPolarHBondContact O-CB 3.48Å; L277-S283 PolarHBondContact O-OG 2.9Å; S280-S283 VanDerWaalsContact O-CB 3.28Å; S280-S283 WeakPolarHBondContact O-CB 3.37Å; S280-S283 PolarHBondContact O-N 3.36Å; H281-S283 PolarHBondContact O-N 3.19Å; S283-G285 PolarHBondContact O-N 3.36Å; S283-L286 WeakPolarHBondContact O-CB 3.29Å; S283-L286 PolarHBondContact O-N 3.48Å; S283-L286 VanDerWaalsContact O-N 3.12Å
284	E	94	Very high	97.6	Very high	119 Å²	119	20.8 Å²	20.8	56%	0.556	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	131.8	-173.5	-75.3	178.7	-143.9	0	0	112.3	H281 L286	H281-E284 PolarHBondContact O-N 3.49Å; E284-L286 PolarHBondContact O-N 3.38Å; E284-L286 VanDerWaalsContact O-N 3.12Å
285	G	94.3	Very high	97.6	Very high	61 Å²	61	20.9 Å²	20.9	63%	0.629	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	-9.1	-179.9	0	0	0	0	0	116.2	S283	S283-G285 PolarHBondContact O-N 3.36Å
286	L	97.8	Very high	97.5	Very high	21 Å²	21	20.9 Å²	20.9	11%	0.11	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-23.7	-179.1	-56.3	-174.4	0	0	0	113.8	I242 L245 R246 I262 S283 E284	I242-L286 HydrophobicContact CG2-CD1 3.94Å; L245-L286 HydrophobicContact CB-CB 4.13Å; L245-L286 HydrophobicContact CB-CD1 4.06Å; R246-L286 HydrophobicContact CG-CD1 3.67Å; R246-L286 HydrophobicContact CG-CD2 3.71Å; R246-L286 HydrophobicContact CG-CG 4.38Å; I262-L286 WeakPolarHBondContact CD1-O 3.4Å; S283-L286 WeakPolarHBondContact O-CB 3.29Å; S283-L286 PolarHBondContact O-N 3.48Å; S283-L286 VanDerWaalsContact O-N 3.12Å; E284-L286 PolarHBondContact O-N 3.38Å; E284-L286 VanDerWaalsContact O-N 3.12Å
287	F	98.5	Very high	97.5	Very high	5 Å²	5	20.9 Å²	20.9	2%	0.022	11%	0.114	C	C	.	.			trans	-151.2	168.2	174	65.2	-90	0	0	0	110.6	L245 I262 V264 L277 T278 R289 Y379	L245-F287 HydrophobicContact CD1-CD1 3.97Å; L245-F287 HydrophobicContact CD1-CE1 4.15Å; I262-F287 HydrophobicContact CB-CB 4.04Å; I262-F287 HydrophobicContact CG2-CB 3.69Å; V264-F287 HydrophobicContact CB-CD2 4.44Å; V264-F287 HydrophobicContact CG2-CB 3.64Å; V264-F287 HydrophobicContact CG2-CD1 3.65Å; V264-F287 HydrophobicContact CG2-CD2 3.74Å; V264-F287 HydrophobicContact CG2-CE1 4.16Å; V264-F287 HydrophobicContact CG2-CE2 4.25Å; V264-F287 HydrophobicContact CG2-CG 3.41Å; V264-F287 VanDerWaalsContact CG2-CG 3.41Å; V264-F287 HydrophobicContact CG2-CZ 4.45Å; L277-F287 HydrophobicContact CB-CE1 4.28Å; L277-F287 HydrophobicContact CB-CZ 4.26Å; T278-F287 HydrophobicContact CG2-CE2 3.87Å; T278-F287 HydrophobicContact CG2-CZ 3.92Å; F287-R289 WeakPolarHBondContact CD2-O 3.44Å; F287-Y379 AromaticContact CD2-CD1 3.82Å; F287-Y379 HydrophobicContact CD2-CD1 3.82Å; F287-Y379 AromaticContact CD2-CE1 3.75Å; F287-Y379 HydrophobicContact CD2-CE1 3.75Å; F287-Y379 AromaticContact CE2-CD1 3.61Å; F287-Y379 HydrophobicContact CE2-CD1 3.61Å; F287-Y379 AromaticContact CE2-CE1 3.48Å; F287-Y379 HydrophobicContact CE2-CE1 3.48Å; F287-Y379 VanDerWaalsContact CE2-CE1 3.48Å; F287-Y379 HydrophobicContact CE2-CG 4.27Å; F287-Y379 HydrophobicContact CG-CE1 4.37Å; F287-Y379 HydrophobicContact CZ-CD1 4.43Å; F287-Y379 AromaticContact CZ-CE1 3.9Å; F287-Y379 HydrophobicContact CZ-CE1 3.9Å; F287-Y379 WeakPolarHBondContact O-CE1 3.42Å
288	Q	97.9	Very high	97.4	Very high	49 Å²	49	22.7 Å²	22.7	23%	0.229	12%	0.124	C	C	.	.	S	Bend	trans	-122.3	-16.4	-173.4	-58.4	79.1	33.9	0	0	113.1	P259 R260 I262 Y379 D380	P259-Q288 PolarHBondContact O-NE2 2.95Å; R260-Q288 VanDerWaalsContact C-CD 3.42Å; R260-Q288 VanDerWaalsContact O-CD 3.3Å; R260-Q288 PolarHBondContact O-OE1 3.49Å; R260-Q288 VanDerWaalsContact O-OE1 3.09Å; I262-Q288 PolarHBondContact O-N 3.31Å; I262-Q288 PolarHBondContact O-OE1 3.05Å; Q288-Y379 WeakPolarHBondContact O-CA 3.24Å; Q288-D380 PolarHBondContact O-N 3.5Å
289	R	98.6	Very high	97.3	Very high	30 Å²	30	22.9 Å²	22.9	11%	0.113	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	149.6	-175.9	-49.3	-169.2	169.9	91.9	15.8	112.6	I262 T263 V264 F287 D380 F544 A545 G548	I262-R289 PolarHBondContact O-N 2.92Å; T263-R289 CarbonylContact C-O 3.56Å; T263-R289 WeakPolarHBondContact CA-O 3.26Å; T263-R289 HydrophobicContact CG2-CB 3.9Å; V264-R289 PolarHBondContact N-O 3.31Å; F287-R289 WeakPolarHBondContact CD2-O 3.44Å; R289-D380 CarbonylContact C-O 3.59Å; R289-D380 VanDerWaalsContact CA-O 3.28Å; R289-D380 WeakPolarHBondContact CA-O 3.39Å; R289-D380 HydrophobicContact CB-CB 4.34Å; R289-D380 HydrophobicContact CG-CB 3.91Å; R289-D380 IonicContact CZ-OD2 3.92Å; R289-D380 IonicContact NE-OD2 2.75Å; R289-D380 PolarHBondContact NE-OD2 2.88Å; R289-D380 IonicContact NH2-OD2 3.06Å; R289-D380 PolarHBondContact NH2-OD2 2.98Å; R289-F544 HydrophobicContact CB-CE1 3.91Å; R289-F544 HydrophobicContact CB-CZ 4.31Å; R289-F544 WeakPolarHBondContact CD-O 3.49Å; R289-F544 PolarHBondContact NE-O 2.97Å; R289-A545 PolarHBondContact NH1-O 2.91Å; R289-G548 VanDerWaalsContact NE-N 3.13Å
290	A	98.8	Very high	97.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138.5	174.8	0	0	0	0	0	111.7	V264 V274 T278 I292 D380 I381 M382 F544	V264-A290 CarbonylContact O-C 3.02Å; V264-A290 VanDerWaalsContact O-CA 3.3Å; V264-A290 WeakPolarHBondContact O-CA 3.31Å; V274-A290 HydrophobicContact CG1-CB 3.61Å; T278-A290 HydrophobicContact CG2-CB 3.93Å; A290-I292 HydrophobicContact CB-CD1 4.39Å; A290-I292 HydrophobicContact CB-CG1 4.22Å; A290-D380 PolarHBondContact N-O 2.69Å; A290-I381 HydrophobicContact CB-CG1 4.23Å; A290-I381 WeakPolarHBondContact O-CA 3.39Å; A290-M382 PolarHBondContact O-N 3.09Å; A290-F544 WeakPolarHBondContact O-CE1 3.31Å
291	I	98.9	Very high	97.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	114.4	164.1	-45.5	175.6	0	0	0	109.1	M183 T263 V264 F265 G266 Q293 M382 W541 F544	M183-I291 HydrophobicContact CE-CD1 3.97Å; T263-I291 HydrophobicContact CG2-CD1 4.05Å; T263-I291 HydrophobicContact CG2-CG1 3.89Å; V264-I291 PolarHBondContact O-N 3.28Å; F265-I291 VanDerWaalsContact CA-O 3.26Å; F265-I291 WeakPolarHBondContact CA-O 3.29Å; F265-I291 HydrophobicContact CB-CB 3.67Å; F265-I291 HydrophobicContact CB-CD1 4.41Å; F265-I291 HydrophobicContact CB-CG1 4.26Å; G266-I291 PolarHBondContact N-O 3.48Å; I291-Q293 HydrophobicContact CG2-CG 4.14Å; I291-M382 CarbonylContact C-O 3.46Å; I291-M382 VanDerWaalsContact CA-O 3.26Å; I291-M382 WeakPolarHBondContact CA-O 3.27Å; I291-M382 HydrophobicContact CB-CB 4.49Å; I291-M382 HydrophobicContact CD1-SD 4.42Å; I291-M382 HydrophobicContact CG1-CB 4.25Å; I291-M382 HydrophobicContact CG2-CB 4.1Å; I291-M382 HydrophobicContact CG2-CG 4.04Å; I291-M382 HydrophobicContact CG2-SD 3.82Å; I291-W541 HydrophobicContact CD1-CB 4.39Å; I291-W541 HydrophobicContact CD1-CG 4.01Å; I291-W541 HydrophobicContact CG2-CZ2 4.49Å; I291-F544 HydrophobicContact CD1-CD1 3.88Å; I291-F544 HydrophobicContact CD1-CE1 4.47Å; I291-F544 HydrophobicContact CG1-CD1 3.66Å; I291-F544 HydrophobicContact CG1-CE1 3.75Å
292	I	98.9	Very high	97.2	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	93.6	-169.4	-56.3	177.1	0	0	0	108.1	A271 V274 A290 G295 I381 M382 L383 G384	A271-I292 HydrophobicContact CB-CG2 3.8Å; V274-I292 HydrophobicContact CB-CG1 4.41Å; V274-I292 HydrophobicContact CG1-CG1 3.88Å; A290-I292 HydrophobicContact CB-CD1 4.39Å; A290-I292 HydrophobicContact CB-CG1 4.22Å; I292-G295 WeakPolarHBondContact CG2-O 3.42Å; I292-I381 HydrophobicContact CD1-CG2 3.94Å; I292-I381 HydrophobicContact CG1-CG2 4.4Å; I292-M382 PolarHBondContact N-O 3.43Å; I292-L383 HydrophobicContact CB-CB 3.9Å; I292-L383 VanDerWaalsContact O-CA 3.26Å; I292-L383 WeakPolarHBondContact O-CA 3.39Å; I292-L383 WeakPolarHBondContact O-CB 3.33Å; I292-G384 PolarHBondContact O-N 3.46Å
293	Q	98.8	Very high	97.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	118.6	-175.8	-53.6	170.6	-160.4	0	0	110.8	G266 S267 G268 A271 I291 G295 Y484 E506 W541	G266-Q293 VanDerWaalsContact O-CB 3.27Å; G266-Q293 WeakPolarHBondContact O-CB 3.45Å; G266-Q293 PolarHBondContact O-N 3.48Å; G266-Q293 VanDerWaalsContact O-N 3.11Å; S267-Q293 VanDerWaalsContact CA-O 3.29Å; S267-Q293 WeakPolarHBondContact CA-O 3.38Å; G268-Q293 PolarHBondContact N-O 2.86Å; A271-Q293 WeakPolarHBondContact CB-O 3.35Å; I291-Q293 HydrophobicContact CG2-CG 4.14Å; Q293-G295 VanDerWaalsContact C-N 3.31Å; Q293-G295 PolarHBondContact O-N 3.06Å; Q293-Y484 WeakPolarHBondContact CA-OH 3.39Å; Q293-Y484 VanDerWaalsContact CB-OH 3.31Å; Q293-Y484 WeakPolarHBondContact CB-OH 3.23Å; Q293-Y484 WeakPolarHBondContact CG-OH 3.31Å; Q293-E506 HydrophobicContact CB-CG 4.49Å; Q293-E506 PolarHBondContact NE2-OE1 3.42Å; Q293-W541 HydrophobicContact CG-CZ2 4.36Å
294	S	98.2	Very high	97.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	52.8	44.5	170.2	-62.9	0	0	0	0	113.9	G268 G384 E389 W463 H503	G268-S294 WeakPolarHBondContact CA-O 3.2Å; S294-G384 PolarHBondContact N-O 2.84Å; S294-E389 WeakPolarHBondContact CB-OE1 3.47Å; S294-E389 PolarHBondContact OG-OE1 3.34Å; S294-W463 VanDerWaalsContact C-CD1 3.48Å; S294-W463 PolarHBondContact O-NE1 3Å; S294-W463 VanDerWaalsContact O-NE1 3.12Å; S294-H503 PolarHBondContact O-CE1 3.09Å
295	G	97.2	Very high	97.4	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.01	10%	0.101	C	C	.	.			trans	-170.1	166.3	175.3	0	0	0	0	0	111.8	I292 Q293	I292-G295 WeakPolarHBondContact CG2-O 3.42Å; Q293-G295 VanDerWaalsContact C-N 3.31Å; Q293-G295 PolarHBondContact O-N 3.06Å
296	S	97.3	Very high	97.6	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.093	C	C	.	.			trans	-155.6	161.4	178	174.2	0	0	0	0	109.4	S272 L298 A302 T470	S272-S296 WeakPolarHBondContact CB-O 3.27Å; S272-S296 PolarHBondContact OG-O 2.8Å; S296-L298 PolarHBondContact O-N 2.93Å; S296-L298 PolarHBondContact OG-N 3.49Å; S296-L298 VanDerWaalsContact OG-N 3.09Å; S296-A302 VanDerWaalsContact O-CB 3.31Å; S296-A302 WeakPolarHBondContact O-CB 3.31Å; S296-T470 PolarHBondContact OG-OG1 3.44Å
297	A	97.8	Very high	97.6	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.008	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.5	166.5	0	0	0	0	0	113.3	S275 L276 L279 A302 P367 M371	S275-A297 WeakPolarHBondContact OG-CB 3.32Å; S275-A297 PolarHBondContact OG-N 3.33Å; L276-A297 HydrophobicContact CD2-CB 3.73Å; L276-A297 HydrophobicContact CG-CB 3.88Å; L279-A297 HydrophobicContact CD1-CB 4.19Å; A297-A302 WeakPolarHBondContact O-CB 3.42Å; A297-P367 HydrophobicContact CB-CB 3.72Å; A297-P367 HydrophobicContact CB-CG 4.19Å; A297-M371 HydrophobicContact CB-CE 4.01Å
298	L	97.7	Very high	97.5	Very high	41 Å²	41	23.2 Å²	23.2	22%	0.215	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-8.8	-175.5	-52.4	177.7	0	0	0	114.4	S296 P367 E368 M371 P466 V469	S296-L298 PolarHBondContact O-N 2.93Å; S296-L298 PolarHBondContact OG-N 3.49Å; S296-L298 VanDerWaalsContact OG-N 3.09Å; L298-P367 HydrophobicContact CD2-CB 4.1Å; L298-E368 HydrophobicContact CD2-CB 3.84Å; L298-E368 HydrophobicContact CD2-CG 4.49Å; L298-M371 HydrophobicContact CD1-CE 4.4Å; L298-M371 HydrophobicContact CD1-SD 3.96Å; L298-M371 HydrophobicContact CD2-CE 4.22Å; L298-M371 HydrophobicContact CD2-SD 4.26Å; L298-M371 HydrophobicContact CG-CE 4.04Å; L298-M371 HydrophobicContact CG-SD 4.19Å; L298-P466 HydrophobicContact CB-CB 4.14Å; L298-V469 HydrophobicContact CD1-CB 3.98Å; L298-V469 HydrophobicContact CD1-CG1 3.57Å
299	S	96.2	Very high	97.5	Very high	6 Å²	6	26 Å²	26	4%	0.042	13%	0.125	C	C	.	.	S	Bend	trans	-68.1	147.3	177.6	-57.3	0	0	0	0	111.3	W301 A302 Q462	S299-W301 PolarHBondContact O-N 3.28Å; S299-A302 VanDerWaalsContact O-CB 3.23Å; S299-A302 WeakPolarHBondContact O-CB 3.43Å; S299-A302 PolarHBondContact O-N 3.11Å; S299-Q462 PolarHBondContact OG-O 2.65Å
300	S	94.9	Very high	97.4	Very high	23 Å²	23	24.9 Å²	24.9	16%	0.161	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-19.4	-177.3	67	0	0	0	0	115.9	Y350 H351 Q462	S300-Y350 CarbonylContact C-O 3.6Å; S300-Y350 PolarHBondContact OG-O 3.42Å; S300-H351 PolarHBondContact O-CD2 3.17Å; S300-Q462 PolarHBondContact OG-NE2 3.16Å
301	W	94.8	Very high	97.4	Very high	7 Å²	7	24.9 Å²	24.9	3%	0.027	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-0.1	177.8	48.6	49.8	0	0	0	114.1	M118 Y191 S299 Y350 V352 F458 Q462 W463	M118-W301 HydrophobicContact CE-CB 3.99Å; M118-W301 HydrophobicContact CE-CE3 3.92Å; M118-W301 HydrophobicContact CG-CD2 4.14Å; M118-W301 HydrophobicContact CG-CE3 3.6Å; M118-W301 HydrophobicContact CG-CZ3 3.82Å; M118-W301 HydrophobicContact SD-CB 4.01Å; M118-W301 HydrophobicContact SD-CD2 4.36Å; M118-W301 HydrophobicContact SD-CE3 4.09Å; M118-W301 HydrophobicContact SD-CG 4.39Å; Y191-W301 WeakPolarHBondContact CE2-O 3.31Å; S299-W301 PolarHBondContact O-N 3.28Å; W301-Y350 PolarHBondContact N-O 3Å; W301-V352 HydrophobicContact CB-CG1 4.05Å; W301-V352 VanDerWaalsContact O-CG1 3.31Å; W301-V352 WeakPolarHBondContact O-CG1 3.48Å; W301-V352 WeakPolarHBondContact O-CG2 3.26Å; W301-F458 HydrophobicContact CH2-CE1 4.12Å; W301-F458 HydrophobicContact CH2-CZ 4.24Å; W301-F458 HydrophobicContact CZ3-CE1 4.2Å; W301-F458 AromaticContact CZ3-CZ 3.9Å; W301-F458 HydrophobicContact CZ3-CZ 3.9Å; W301-Q462 HydrophobicContact CH2-CB 3.58Å; W301-Q462 HydrophobicContact CH2-CG 3.74Å; W301-Q462 HydrophobicContact CZ2-CB 3.68Å; W301-Q462 HydrophobicContact CZ2-CG 4.28Å; W301-Q462 HydrophobicContact CZ3-CB 4.29Å; W301-Q462 HydrophobicContact CZ3-CG 3.98Å; W301-W463 HydrophobicContact CH2-CE3 4.45Å; W301-W463 AromaticContact CH2-CH2 3.53Å; W301-W463 HydrophobicContact CH2-CH2 3.53Å; W301-W463 AromaticContact CH2-CZ2 3.58Å; W301-W463 HydrophobicContact CH2-CZ2 3.58Å; W301-W463 AromaticContact CH2-CZ3 3.97Å; W301-W463 HydrophobicContact CH2-CZ3 3.97Å; W301-W463 HydrophobicContact CZ2-CD2 4.18Å; W301-W463 AromaticContact CZ2-CE2 3.66Å; W301-W463 HydrophobicContact CZ2-CE3 4.49Å; W301-W463 AromaticContact CZ2-CH2 3.99Å; W301-W463 HydrophobicContact CZ2-CH2 3.99Å; W301-W463 AromaticContact CZ2-CZ2 3.57Å; W301-W463 HydrophobicContact CZ2-CZ2 3.57Å; W301-W463 HydrophobicContact CZ2-CZ3 4.41Å
302	A	97	Very high	97.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-35.7	-176.4	0	0	0	0	0	112.7	Y191 S296 A297 S299	Y191-A302 WeakPolarHBondContact CE2-O 3.47Å; Y191-A302 PolarHBondContact OH-O 3.46Å; S296-A302 VanDerWaalsContact O-CB 3.31Å; S296-A302 WeakPolarHBondContact O-CB 3.31Å; A297-A302 WeakPolarHBondContact O-CB 3.42Å; S299-A302 VanDerWaalsContact O-CB 3.23Å; S299-A302 WeakPolarHBondContact O-CB 3.43Å; S299-A302 PolarHBondContact O-N 3.11Å
303	V	98	Very high	97.2	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.018	16%	0.155	C	C	.	.	S	Bend	trans	-128.3	142.3	-176.4	176.6	0	0	0	0	110.5	L276 Y305 P356 I358 P367	L276-V303 HydrophobicContact CD2-CG2 4.22Å; V303-Y305 HydrophobicContact CB-CD2 4.48Å; V303-Y305 HydrophobicContact CB-CE2 3.87Å; V303-Y305 HydrophobicContact CG1-CD1 4.47Å; V303-Y305 HydrophobicContact CG1-CD2 4.31Å; V303-Y305 HydrophobicContact CG1-CE1 4.16Å; V303-Y305 HydrophobicContact CG1-CE2 3.98Å; V303-P356 CarbonylContact C-O 3.53Å; V303-P356 WeakPolarHBondContact CA-O 3.46Å; V303-I358 HydrophobicContact CG1-CG1 4.26Å; V303-P367 HydrophobicContact CG2-CG 3.93Å
304	N	97.8	Very high	97.2	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.032	16%	0.155	C	C	.	.			trans	-94.3	104.8	172.4	-179.9	9.2	0	0	0	110.6	Q306 P307 V352 A353 P356 V357	N304-Q306 VanDerWaalsContact C-N 3.32Å; N304-Q306 PolarHBondContact OD1-N 3.48Å; N304-P307 WeakPolarHBondContact ND2-CA 3.42Å; N304-V352 HydrophobicContact CB-CG2 4.25Å; N304-A353 PolarHBondContact ND2-O 3.01Å; N304-P356 PolarHBondContact N-O 2.03Å; N304-V357 HydrophobicContact CB-CG1 4.17Å
305	Y	96.7	Very high	97.2	Very high	128 Å²	128	30.7 Å²	30.7	50%	0.502	16%	0.156	S	C	.	.	S	Bend	trans	-83.8	-0.4	176.1	-62.1	-86.9	0	0	0	114	V303 P307 I358 D366	V303-Y305 HydrophobicContact CB-CD2 4.48Å; V303-Y305 HydrophobicContact CB-CE2 3.87Å; V303-Y305 HydrophobicContact CG1-CD1 4.47Å; V303-Y305 HydrophobicContact CG1-CD2 4.31Å; V303-Y305 HydrophobicContact CG1-CE1 4.16Å; V303-Y305 HydrophobicContact CG1-CE2 3.98Å; Y305-P307 VanDerWaalsContact C-CD 3.45Å; Y305-I358 HydrophobicContact CD1-CD1 4.24Å; Y305-I358 HydrophobicContact CE1-CD1 3.69Å; Y305-D366 WeakPolarHBondContact CE1-OD2 3.28Å; Y305-D366 PolarHBondContact OH-OD2 2.54Å; Y305-D366 VanDerWaalsContact OH-OD2 3.04Å
306	Q	97.1	Very high	97.2	Very high	99 Å²	99	34.7 Å²	34.7	46%	0.463	18%	0.177	S	C	.	.			trans	-130.9	46.3	-179.1	-60.3	-169	-18.2	0	0	113.8	N304 V308 K309 Y310	N304-Q306 VanDerWaalsContact C-N 3.32Å; N304-Q306 PolarHBondContact OD1-N 3.48Å; Q306-V308 PolarHBondContact O-N 3.47Å; Q306-K309 HydrophobicContact CB-CB 4.34Å; Q306-K309 HydrophobicContact CB-CD 4.26Å; Q306-K309 WeakPolarHBondContact O-CB 3.49Å; Q306-K309 PolarHBondContact O-N 2.92Å; Q306-K309 VanDerWaalsContact OE1-CD 3.24Å; Q306-Y310 HydrophobicContact CB-CD2 4.42Å; Q306-Y310 HydrophobicContact CB-CE2 4.02Å; Q306-Y310 VanDerWaalsContact O-CD2 3.24Å; Q306-Y310 WeakPolarHBondContact O-CD2 3.29Å
307	P	97.6	Very high	97.2	Very high	17 Å²	17	39.3 Å²	39.3	11%	0.11	20%	0.197	C	C	.	.	H	α-helix	trans	-60.7	-42.8	-173.3	23.8	-33	0	0	0	113.2	S226 N304 Y305 K309 Y310 T311 V357	S226-P307 CarbonylContact O-C 3.52Å; N304-P307 WeakPolarHBondContact ND2-CA 3.42Å; Y305-P307 VanDerWaalsContact C-CD 3.45Å; P307-K309 VanDerWaalsContact C-N 3.27Å; P307-K309 PolarHBondContact O-N 3.25Å; P307-Y310 PolarHBondContact O-N 3.14Å; P307-Y310 VanDerWaalsContact O-N 3.14Å; P307-T311 WeakPolarHBondContact O-CB 3.43Å; P307-T311 PolarHBondContact O-N 3.08Å; P307-T311 PolarHBondContact O-OG1 2.94Å; P307-V357 HydrophobicContact CB-CG1 3.8Å; P307-V357 HydrophobicContact CG-CG1 3.91Å
308	V	97.6	Very high	97.2	Very high	76 Å²	76	39.7 Å²	39.7	46%	0.461	20%	0.199	S	C	.	.	H	α-helix	trans	-52.2	-45.9	179.8	-165.9	0	0	0	0	111.4	T227 Q306 Y310 T311 S312	T227-V308 WeakPolarHBondContact O-CG2 3.4Å; Q306-V308 PolarHBondContact O-N 3.47Å; V308-Y310 PolarHBondContact O-N 3.28Å; V308-T311 PolarHBondContact O-N 3.04Å; V308-S312 WeakPolarHBondContact O-CB 3.47Å; V308-S312 PolarHBondContact O-N 2.85Å; V308-S312 PolarHBondContact O-OG 2.93Å; V308-S312 VanDerWaalsContact O-OG 3.09Å
309	K	97.4	Very high	97.2	Very high	107 Å²	107	40.8 Å²	40.8	47%	0.465	22%	0.221	S	C	.	.	H	α-helix	trans	-61.3	-46.1	-179	170	-170.7	167.3	-165.1	0	112.2	Q306 P307 L313	Q306-K309 HydrophobicContact CB-CB 4.34Å; Q306-K309 HydrophobicContact CB-CD 4.26Å; Q306-K309 WeakPolarHBondContact O-CB 3.49Å; Q306-K309 PolarHBondContact O-N 2.92Å; Q306-K309 VanDerWaalsContact OE1-CD 3.24Å; P307-K309 VanDerWaalsContact C-N 3.27Å; P307-K309 PolarHBondContact O-N 3.25Å; K309-L313 WeakPolarHBondContact O-CB 3.28Å; K309-L313 PolarHBondContact O-N 3.04Å; K309-L313 VanDerWaalsContact O-N 3.12Å
310	Y	97.7	Very high	97.3	Very high	6 Å²	6	40.6 Å²	40.6	2%	0.024	22%	0.219	C	C	.	.	H	α-helix	trans	-75.8	-35.8	-177.6	-63.4	-61.9	0	0	0	112.1	Q306 P307 V308 L313 L314 I345 P347 A348 A353	Q306-Y310 HydrophobicContact CB-CD2 4.42Å; Q306-Y310 HydrophobicContact CB-CE2 4.02Å; Q306-Y310 VanDerWaalsContact O-CD2 3.24Å; Q306-Y310 WeakPolarHBondContact O-CD2 3.29Å; P307-Y310 PolarHBondContact O-N 3.14Å; P307-Y310 VanDerWaalsContact O-N 3.14Å; V308-Y310 PolarHBondContact O-N 3.28Å; Y310-L313 PolarHBondContact O-N 2.88Å; Y310-L314 WeakPolarHBondContact O-CB 3.37Å; Y310-L314 PolarHBondContact O-N 2.98Å; Y310-I345 HydrophobicContact CD1-CG2 3.88Å; Y310-I345 HydrophobicContact CG-CG2 4.49Å; Y310-P347 HydrophobicContact CE1-CB 4.39Å; Y310-P347 WeakPolarHBondContact OH-CA 3.27Å; Y310-A348 PolarHBondContact OH-N 2.77Å; Y310-A353 WeakPolarHBondContact CB-O 3.3Å; Y310-A353 HydrophobicContact CD1-CB 3.88Å; Y310-A353 HydrophobicContact CD2-CB 4.27Å; Y310-A353 WeakPolarHBondContact CD2-O 3.39Å; Y310-A353 HydrophobicContact CE1-CB 4.26Å; Y310-A353 HydrophobicContact CG-CB 3.9Å
311	T	98.1	Very high	97.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-63.9	-45.3	172.7	-63.5	0	0	0	0	111.9	L225 S226 T227 P307 V308 L314 A315 M328	L225-T311 HydrophobicContact CD1-CG2 4.11Å; L225-T311 HydrophobicContact CD2-CG2 4.02Å; L225-T311 HydrophobicContact CG-CG2 3.94Å; S226-T311 WeakPolarHBondContact O-CB 3.48Å; S226-T311 PolarHBondContact O-OG1 2.9Å; T227-T311 HydrophobicContact CG2-CG2 4.07Å; P307-T311 WeakPolarHBondContact O-CB 3.43Å; P307-T311 PolarHBondContact O-N 3.08Å; P307-T311 PolarHBondContact O-OG1 2.94Å; V308-T311 PolarHBondContact O-N 3.04Å; T311-L314 PolarHBondContact O-N 3.48Å; T311-A315 WeakPolarHBondContact O-CB 3.5Å; T311-A315 PolarHBondContact O-N 3.37Å; T311-M328 HydrophobicContact CG2-CE 3.91Å
312	S	97	Very high	97	Very high	50 Å²	50	46.9 Å²	46.9	35%	0.35	25%	0.254	S	S	.	.	H	α-helix	trans	-62.5	-42.8	174.4	-63.4	0	0	0	0	112.3	V308 L314 A315 D316	V308-S312 WeakPolarHBondContact O-CB 3.47Å; V308-S312 PolarHBondContact O-N 2.85Å; V308-S312 PolarHBondContact O-OG 2.93Å; V308-S312 VanDerWaalsContact O-OG 3.09Å; S312-L314 VanDerWaalsContact C-N 3.31Å; S312-L314 PolarHBondContact O-N 3.05Å; S312-A315 PolarHBondContact O-N 2.94Å; S312-D316 PolarHBondContact O-N 2.84Å
313	L	97	Very high	96.7	Very high	71 Å²	71	55.4 Å²	55.4	37%	0.372	30%	0.299	S	S	.	.	H	α-helix	trans	-63.7	-35.8	177.7	-177.5	62.1	0	0	0	112.6	K309 Y310 K317 I345	K309-L313 WeakPolarHBondContact O-CB 3.28Å; K309-L313 PolarHBondContact O-N 3.04Å; K309-L313 VanDerWaalsContact O-N 3.12Å; Y310-L313 PolarHBondContact O-N 2.88Å; L313-K317 WeakPolarHBondContact O-CG 3.38Å; L313-K317 PolarHBondContact O-N 3.33Å; L313-I345 HydrophobicContact CB-CD1 4.41Å; L313-I345 HydrophobicContact CD2-CD1 4.17Å; L313-I345 HydrophobicContact CD2-CG2 4.37Å; L313-I345 HydrophobicContact CG-CD1 3.87Å
314	L	97.8	Very high	96.6	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-66.2	-47.8	171.6	176.4	70	0	0	0	111.3	V221 L225 Y310 T311 S312 D316 K317 V318 L340 Q343 I345 F354	V221-L314 HydrophobicContact CB-CD2 4.37Å; V221-L314 HydrophobicContact CG1-CD2 3.48Å; V221-L314 VanDerWaalsContact CG1-CD2 3.48Å; V221-L314 HydrophobicContact CG2-CD2 3.89Å; L225-L314 HydrophobicContact CD1-CD2 3.78Å; Y310-L314 WeakPolarHBondContact O-CB 3.37Å; Y310-L314 PolarHBondContact O-N 2.98Å; T311-L314 PolarHBondContact O-N 3.48Å; S312-L314 VanDerWaalsContact C-N 3.31Å; S312-L314 PolarHBondContact O-N 3.05Å; L314-D316 VanDerWaalsContact C-N 3.29Å; L314-D316 PolarHBondContact O-N 3.27Å; L314-K317 PolarHBondContact O-N 2.86Å; L314-K317 VanDerWaalsContact O-N 3.09Å; L314-V318 HydrophobicContact CD1-CG1 4.39Å; L314-V318 PolarHBondContact O-N 2.84Å; L314-L340 HydrophobicContact CD2-CD2 4.49Å; L314-Q343 HydrophobicContact CD1-CB 3.7Å; L314-Q343 HydrophobicContact CD1-CG 3.66Å; L314-I345 HydrophobicContact CB-CD1 4.22Å; L314-I345 HydrophobicContact CB-CG1 4.43Å; L314-I345 HydrophobicContact CD1-CG1 4.31Å; L314-F354 HydrophobicContact CB-CZ 4.11Å; L314-F354 HydrophobicContact CD2-CE1 4.47Å; L314-F354 HydrophobicContact CD2-CZ 4.04Å
315	A	98	Very high	96.6	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.008	33%	0.328	C	S	.	.	H	α-helix	trans	-58.8	-40.4	178.8	0	0	0	0	0	111.9	T311 S312 G319 C320 N321 M328	T311-A315 WeakPolarHBondContact O-CB 3.5Å; T311-A315 PolarHBondContact O-N 3.37Å; S312-A315 PolarHBondContact O-N 2.94Å; A315-G319 PolarHBondContact O-N 3.22Å; A315-C320 HydrophobicContact CB-CB 4.26Å; A315-C320 CarbonylContact O-C 3.57Å; A315-C320 PolarHBondContact O-N 3.46Å; A315-N321 PolarHBondContact O-N 2.89Å; A315-M328 HydrophobicContact CB-CG 3.87Å; A315-M328 HydrophobicContact CB-SD 3.5Å; A315-M328 VanDerWaalsContact CB-SD 3.5Å
316	D	97.4	Very high	96.6	Very high	86 Å²	86	58 Å²	58	46%	0.46	33%	0.325	S	S	.	.	H	α-helix	trans	-55	-53.6	169.7	-87.1	-41.4	0	0	0	111.9	S312 L314 V318 G319 N321	S312-D316 PolarHBondContact O-N 2.84Å; L314-D316 VanDerWaalsContact C-N 3.29Å; L314-D316 PolarHBondContact O-N 3.27Å; D316-V318 VanDerWaalsContact C-N 3.31Å; D316-V318 PolarHBondContact O-N 3.19Å; D316-G319 PolarHBondContact O-N 2.91Å; D316-G319 VanDerWaalsContact O-N 3.16Å; D316-N321 WeakPolarHBondContact OD1-CB 3.45Å; D316-N321 PolarHBondContact OD1-ND2 2.98Å
317	K	97.4	Very high	96.7	Very high	96 Å²	96	58.1 Å²	58.1	42%	0.417	33%	0.329	S	S	.	.	H	α-helix	trans	-62.4	-34.3	-175.8	-76.7	-164.7	175.3	-165.7	0	113.7	L313 L314 Q343 D344 I345	L313-K317 WeakPolarHBondContact O-CG 3.38Å; L313-K317 PolarHBondContact O-N 3.33Å; L314-K317 PolarHBondContact O-N 2.86Å; L314-K317 VanDerWaalsContact O-N 3.09Å; K317-Q343 HydrophobicContact CB-CG 4.45Å; K317-Q343 HydrophobicContact CD-CB 4.44Å; K317-D344 PolarHBondContact NZ-O 3.35Å; K317-I345 HydrophobicContact CD-CD1 3.95Å
318	V	97.9	Very high	96.7	Very high	9 Å²	9	57.8 Å²	57.8	6%	0.055	33%	0.326	C	S	.	.	H	α-helix	trans	-95.5	2.8	178.6	-52	0	0	0	0	113.7	L314 D316 C320 L332 K335 E339 L340 Q343	L314-V318 HydrophobicContact CD1-CG1 4.39Å; L314-V318 PolarHBondContact O-N 2.84Å; D316-V318 VanDerWaalsContact C-N 3.31Å; D316-V318 PolarHBondContact O-N 3.19Å; V318-C320 HydrophobicContact CG2-CB 4.17Å; V318-L332 HydrophobicContact CG2-CD2 3.58Å; V318-K335 HydrophobicContact CG2-CG 4.25Å; V318-K335 WeakPolarHBondContact O-CE 3.47Å; V318-K335 PolarHBondContact O-NZ 2.95Å; V318-E339 HydrophobicContact CG1-CG 4.36Å; V318-L340 HydrophobicContact CG1-CD2 4.36Å; V318-L340 HydrophobicContact CG2-CD2 4.34Å; V318-Q343 HydrophobicContact CG1-CG 3.77Å
319	G	97.7	Very high	96.7	Very high	65 Å²	65	54.1 Å²	54.1	67%	0.67	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	28.9	177.9	0	0	0	0	0	114.8	A315 D316	A315-G319 PolarHBondContact O-N 3.22Å; D316-G319 PolarHBondContact O-N 2.91Å; D316-G319 VanDerWaalsContact O-N 3.16Å
320	C	97.8	Very high	96.8	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.007	30%	0.297	C	S	.	.			trans	-105.3	17.3	172.4	-69.9	0	0	0	0	113.2	A315 V318 V322 M328 C331 L332 K335	A315-C320 HydrophobicContact CB-CB 4.26Å; A315-C320 CarbonylContact O-C 3.57Å; A315-C320 PolarHBondContact O-N 3.46Å; V318-C320 HydrophobicContact CG2-CB 4.17Å; C320-V322 PolarHBondContact O-N 2.8Å; C320-M328 WeakPolarHBondContact O-CG 3.33Å; C320-C331 WeakPolarHBondContact CA-SG 3.43Å; C320-C331 HydrophobicContact CB-CB 3.64Å; C320-C331 WeakPolarHBondContact CB-SG 3.26Å; C320-C331 WeakPolarHBondContact SG-CB 3.25Å; C320-C331 CovalentContact SG-SG 2.04Å; C320-C331 PolarHBondContact SG-SG 2.7Å; C320-L332 HydrophobicContact CB-CD2 4.1Å; C320-L332 HydrophobicContact CB-CG 4.14Å; C320-K335 VanDerWaalsContact SG-CE 3.59Å
321	N	91.3	Very high	96.8	Very high	97 Å²	97	53.2 Å²	53.2	52%	0.519	31%	0.307	S	S	.	.			trans	-69.3	97.6	175.5	-178.7	2.3	0	0	0	111	A315 D316	A315-N321 PolarHBondContact O-N 2.89Å; D316-N321 WeakPolarHBondContact OD1-CB 3.45Å; D316-N321 PolarHBondContact OD1-ND2 2.98Å
322	V	92	Very high	96.8	Very high	65 Å²	65	53.1 Å²	53.1	39%	0.394	31%	0.306	S	S	.	.			trans	-128.7	153	170.4	-65.4	0	0	0	0	108.7	C320 D327 M328	C320-V322 PolarHBondContact O-N 2.8Å; V322-D327 HydrophobicContact CG2-CB 3.79Å; V322-M328 VanDerWaalsContact CG2-CA 3.49Å; V322-M328 HydrophobicContact CG2-CB 3.7Å; V322-M328 VanDerWaalsContact CG2-N 3.27Å
323	L	90.5	Very high	96.9	Very high	180 Å²	180	52.4 Å²	52.4	94%	0.942	30%	0.296	S	S	*	.	S	Bend	trans	-74.6	-25.5	-173.1	-66.7	175.3	0	0	0	113.7
324	D	96.9	Very high	96.9	Very high	79 Å²	79	57 Å²	57	42%	0.422	32%	0.315	S	S	.	.	S	Bend	trans	-86.7	128.2	175.6	-174.1	-79.5	0	0	0	109.9	V326 D327 M328	D324-V326 VanDerWaalsContact C-N 3.33Å; D324-V326 PolarHBondContact O-N 3.38Å; D324-V326 WeakPolarHBondContact OD1-CA 3.39Å; D324-V326 VanDerWaalsContact OD1-CB 3.29Å; D324-V326 WeakPolarHBondContact OD1-CB 3.42Å; D324-V326 PolarHBondContact OD1-N 3.29Å; D324-D327 HydrophobicContact CB-CB 4.16Å; D324-D327 PolarHBondContact OD1-N 3.14Å; D324-M328 WeakPolarHBondContact O-CB 3.32Å; D324-M328 PolarHBondContact O-N 2.88Å
325	T	97.3	Very high	96.9	Very high	40 Å²	40	59.1 Å²	59.1	25%	0.245	33%	0.325	C	S	.	.	H	α-helix	trans	-73.6	-24.7	-174.5	47.1	0	0	0	0	112.9	T227 D229 A231 M328 V329	T227-T325 HydrophobicContact CG2-CG2 4.29Å; D229-T325 VanDerWaalsContact OD2-CB 3.31Å; D229-T325 WeakPolarHBondContact OD2-CB 3.48Å; D229-T325 WeakPolarHBondContact OD2-CG2 3.4Å; D229-T325 PolarHBondContact OD2-OG1 2.87Å; A231-T325 WeakPolarHBondContact CB-O 3.48Å; T325-M328 HydrophobicContact CG2-CE 4.18Å; T325-V329 VanDerWaalsContact O-CG2 3.23Å; T325-V329 WeakPolarHBondContact O-CG2 3.25Å; T325-V329 PolarHBondContact O-N 3.01Å; T325-V329 VanDerWaalsContact O-N 3.07Å
326	V	97.8	Very high	96.9	Very high	72 Å²	72	62 Å²	62	44%	0.436	35%	0.345	S	S	.	.	H	α-helix	trans	-73.1	-50	174.6	-174.2	0	0	0	0	109.6	A231 D324 M328 V329 D330	A231-V326 HydrophobicContact CB-CG2 3.94Å; D324-V326 VanDerWaalsContact C-N 3.33Å; D324-V326 PolarHBondContact O-N 3.38Å; D324-V326 WeakPolarHBondContact OD1-CA 3.39Å; D324-V326 VanDerWaalsContact OD1-CB 3.29Å; D324-V326 WeakPolarHBondContact OD1-CB 3.42Å; D324-V326 PolarHBondContact OD1-N 3.29Å; V326-M328 PolarHBondContact O-N 3.48Å; V326-V329 PolarHBondContact O-N 3.26Å; V326-V329 VanDerWaalsContact O-N 3.14Å; V326-D330 PolarHBondContact O-N 3.24Å
327	D	97.9	Very high	96.8	Very high	101 Å²	101	58.3 Å²	58.3	54%	0.54	33%	0.326	S	S	.	.	H	α-helix	trans	-57.6	-37.5	175	-74.4	-23.4	0	0	0	111.6	V322 D324 C331	V322-D327 HydrophobicContact CG2-CB 3.79Å; D324-D327 HydrophobicContact CB-CB 4.16Å; D324-D327 PolarHBondContact OD1-N 3.14Å; D327-C331 WeakPolarHBondContact O-CB 3.27Å; D327-C331 PolarHBondContact O-N 3.08Å
328	M	98.3	Very high	96.7	Very high	10 Å²	10	60.2 Å²	60.2	5%	0.049	34%	0.335	C	S	.	.	H	α-helix	trans	-64.2	-47.9	175.9	179.1	175.5	63.3	0	0	111.6	T227 T311 A315 C320 V322 D324 T325 V326 C331 L332	T227-M328 HydrophobicContact CG2-CE 3.53Å; T311-M328 HydrophobicContact CG2-CE 3.91Å; A315-M328 HydrophobicContact CB-CG 3.87Å; A315-M328 HydrophobicContact CB-SD 3.5Å; A315-M328 VanDerWaalsContact CB-SD 3.5Å; C320-M328 WeakPolarHBondContact O-CG 3.33Å; V322-M328 VanDerWaalsContact CG2-CA 3.49Å; V322-M328 HydrophobicContact CG2-CB 3.7Å; V322-M328 VanDerWaalsContact CG2-N 3.27Å; D324-M328 WeakPolarHBondContact O-CB 3.32Å; D324-M328 PolarHBondContact O-N 2.88Å; T325-M328 HydrophobicContact CG2-CE 4.18Å; V326-M328 PolarHBondContact O-N 3.48Å; M328-C331 PolarHBondContact O-N 3.06Å; M328-L332 HydrophobicContact CG-CD1 4.05Å; M328-L332 VanDerWaalsContact O-CG 3.26Å; M328-L332 WeakPolarHBondContact O-CG 3.11Å; M328-L332 PolarHBondContact O-N 2.85Å
329	V	98.3	Very high	96.6	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-66.2	-38.4	179.4	173.3	0	0	0	0	110.9	F84 T227 A231 A232 T325 V326 L332 R333	F84-V329 HydrophobicContact CD2-CG1 4.08Å; T227-V329 HydrophobicContact CG2-CG2 3.77Å; A231-V329 HydrophobicContact CB-CG2 4.13Å; A232-V329 HydrophobicContact CB-CG1 4.34Å; A232-V329 HydrophobicContact CB-CG2 3.68Å; T325-V329 VanDerWaalsContact O-CG2 3.23Å; T325-V329 WeakPolarHBondContact O-CG2 3.25Å; T325-V329 PolarHBondContact O-N 3.01Å; T325-V329 VanDerWaalsContact O-N 3.07Å; V326-V329 PolarHBondContact O-N 3.26Å; V326-V329 VanDerWaalsContact O-N 3.14Å; V329-L332 CarbonylContact O-C 3.57Å; V329-L332 WeakPolarHBondContact O-CB 3.3Å; V329-L332 PolarHBondContact O-N 2.9Å; V329-L332 VanDerWaalsContact O-N 3.15Å; V329-R333 WeakPolarHBondContact O-CG 3.48Å; V329-R333 PolarHBondContact O-N 3.42Å
330	D	98	Very high	96.6	Very high	59 Å²	59	59.9 Å²	59.9	32%	0.316	32%	0.315	S	S	.	.	H	α-helix	trans	-65.4	-38.2	175.2	-76.3	-13.7	0	0	0	112.4	V326 R333 Q334	V326-D330 PolarHBondContact O-N 3.24Å; D330-R333 PolarHBondContact O-N 3.36Å; D330-R333 IonicContact OD1-CZ 3.83Å; D330-R333 IonicContact OD1-NH1 3.54Å; D330-R333 PolarHBondContact OD1-NH1 3.12Å; D330-Q334 WeakPolarHBondContact O-CG 3.44Å; D330-Q334 PolarHBondContact O-N 2.93Å
331	C	98.3	Very high	96.4	Very high	34 Å²	34	60.9 Å²	60.9	23%	0.23	32%	0.321	C	S	.	.	H	α-helix	trans	-61.6	-42.7	169.6	-178.3	0	0	0	0	111.8	C320 D327 M328 R333 Q334 K335	C320-C331 WeakPolarHBondContact CA-SG 3.43Å; C320-C331 HydrophobicContact CB-CB 3.64Å; C320-C331 WeakPolarHBondContact CB-SG 3.26Å; C320-C331 WeakPolarHBondContact SG-CB 3.25Å; C320-C331 CovalentContact SG-SG 2.04Å; C320-C331 PolarHBondContact SG-SG 2.7Å; D327-C331 WeakPolarHBondContact O-CB 3.27Å; D327-C331 PolarHBondContact O-N 3.08Å; M328-C331 PolarHBondContact O-N 3.06Å; C331-R333 PolarHBondContact O-N 3.03Å; C331-Q334 PolarHBondContact O-N 3.47Å; C331-Q334 VanDerWaalsContact O-N 3.16Å; C331-K335 PolarHBondContact O-N 3.01Å
332	L	98.4	Very high	96.5	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-67.4	-31.2	177.9	-68.6	167.1	0	0	0	112.9	R83 F84 L225 V318 C320 M328 V329 Q334 K335 L340	R83-L332 PolarHBondContact NH1-O 3.24Å; F84-L332 HydrophobicContact CE2-CB 3.88Å; F84-L332 HydrophobicContact CZ-CB 4.42Å; L225-L332 HydrophobicContact CD1-CD1 3.91Å; V318-L332 HydrophobicContact CG2-CD2 3.58Å; C320-L332 HydrophobicContact CB-CD2 4.1Å; C320-L332 HydrophobicContact CB-CG 4.14Å; M328-L332 HydrophobicContact CG-CD1 4.05Å; M328-L332 VanDerWaalsContact O-CG 3.26Å; M328-L332 WeakPolarHBondContact O-CG 3.11Å; M328-L332 PolarHBondContact O-N 2.85Å; V329-L332 CarbonylContact O-C 3.57Å; V329-L332 WeakPolarHBondContact O-CB 3.3Å; V329-L332 PolarHBondContact O-N 2.9Å; V329-L332 VanDerWaalsContact O-N 3.15Å; L332-Q334 VanDerWaalsContact C-N 3.29Å; L332-Q334 PolarHBondContact O-N 2.94Å; L332-K335 PolarHBondContact O-N 2.96Å; L332-L340 HydrophobicContact CD2-CD2 3.76Å
333	R	98.2	Very high	96.6	Very high	35 Å²	35	60.5 Å²	60.5	13%	0.132	31%	0.312	C	S	.	.	H	α-helix	trans	-63.4	-33.6	170.9	-73.5	-179.5	180	116.8	5.9	112.2	R83 F84 V329 D330 C331 K335	R83-R333 HydrophobicContact CB-CG 4.45Å; R83-R333 PolarHBondContact NH1-O 2.9Å; R83-R333 PolarHBondContact O-NE 2.78Å; F84-R333 HydrophobicContact CD2-CG 3.97Å; F84-R333 HydrophobicContact CE2-CG 4.32Å; V329-R333 WeakPolarHBondContact O-CG 3.48Å; V329-R333 PolarHBondContact O-N 3.42Å; D330-R333 PolarHBondContact O-N 3.36Å; D330-R333 IonicContact OD1-CZ 3.83Å; D330-R333 IonicContact OD1-NH1 3.54Å; D330-R333 PolarHBondContact OD1-NH1 3.12Å; C331-R333 PolarHBondContact O-N 3.03Å; R333-K335 VanDerWaalsContact C-N 3.31Å; R333-K335 PolarHBondContact O-N 3.09Å
334	Q	97.6	Very high	96.6	Very high	166 Å²	166	55.9 Å²	55.9	78%	0.776	29%	0.288	S	S	*	.	H	α-helix	trans	-75.9	-14.9	179.3	-66	172.5	34.2	0	0	114	D330 C331 L332	D330-Q334 WeakPolarHBondContact O-CG 3.44Å; D330-Q334 PolarHBondContact O-N 2.93Å; C331-Q334 PolarHBondContact O-N 3.47Å; C331-Q334 VanDerWaalsContact O-N 3.16Å; L332-Q334 VanDerWaalsContact C-N 3.29Å; L332-Q334 PolarHBondContact O-N 2.94Å
335	K	98.1	Very high	96.4	Very high	46 Å²	46	52.9 Å²	52.9	20%	0.2	27%	0.272	C	S	.	.	S	Bend	trans	-71.7	156.7	176.1	-60.8	-49.4	-160.9	145.5	0	112.3	R83 V318 C320 C331 L332 R333 E339 L340	R83-K335 PolarHBondContact NH1-O 3.45Å; R83-K335 PolarHBondContact NH2-O 3.23Å; V318-K335 HydrophobicContact CG2-CG 4.25Å; V318-K335 WeakPolarHBondContact O-CE 3.47Å; V318-K335 PolarHBondContact O-NZ 2.95Å; C320-K335 VanDerWaalsContact SG-CE 3.59Å; C331-K335 PolarHBondContact O-N 3.01Å; L332-K335 PolarHBondContact O-N 2.96Å; R333-K335 VanDerWaalsContact C-N 3.31Å; R333-K335 PolarHBondContact O-N 3.09Å; K335-E339 WeakPolarHBondContact CE-OE1 3.38Å; K335-E339 IonicContact NZ-OE1 3.46Å; K335-E339 PolarHBondContact NZ-OE1 3.25Å; K335-L340 HydrophobicContact CB-CD1 4.28Å; K335-L340 HydrophobicContact CB-CD2 3.83Å; K335-L340 HydrophobicContact CB-CG 3.87Å; K335-L340 HydrophobicContact CG-CD2 4.1Å
336	S	97.7	Very high	96	Very high	61 Å²	61	56.4 Å²	56.4	43%	0.427	29%	0.285	S	S	.	.			trans	-73.8	143.6	168	71.4	0	0	0	0	110.3	K338 E339 L340	S336-K338 PolarHBondContact O-N 2.94Å; S336-E339 PolarHBondContact O-N 3.11Å; S336-E339 VanDerWaalsContact O-N 3.1Å; S336-E339 WeakPolarHBondContact OG-CB 3.26Å; S336-E339 PolarHBondContact OG-N 2.88Å; S336-E339 VanDerWaalsContact OG-N 3.12Å; S336-L340 PolarHBondContact O-N 3.39Å; S336-L340 VanDerWaalsContact O-N 3.16Å
337	A	96.4	Very high	95.6	Very high	9 Å²	9	55.1 Å²	55.1	7%	0.074	28%	0.278	C	S	.	.	H	α-helix	trans	-54.8	-36.8	174.4	0	0	0	0	0	112.6	P107 E139 L222 L340 V341	P107-A337 HydrophobicContact CB-CB 4.12Å; P107-A337 HydrophobicContact CG-CB 3.98Å; E139-A337 HydrophobicContact CG-CB 3.54Å; E139-A337 VanDerWaalsContact OE1-CB 3.27Å; E139-A337 WeakPolarHBondContact OE1-CB 3.33Å; L222-A337 HydrophobicContact CD1-CB 3.9Å; A337-L340 PolarHBondContact O-N 3.38Å; A337-V341 WeakPolarHBondContact O-CB 3.31Å; A337-V341 VanDerWaalsContact O-CG2 3.31Å; A337-V341 WeakPolarHBondContact O-CG2 3.41Å; A337-V341 PolarHBondContact O-N 3.47Å
338	K	94.8	Very high	95.2	Very high	136 Å²	136	52.2 Å²	52.2	59%	0.591	27%	0.268	S	S	*	.	H	α-helix	trans	-58.1	-50.9	174.8	-175.2	176	179.8	177.7	0	111.8	S336 L340 V341 E342	S336-K338 PolarHBondContact O-N 2.94Å; K338-L340 VanDerWaalsContact C-N 3.25Å; K338-L340 PolarHBondContact O-N 3.37Å; K338-V341 PolarHBondContact O-N 2.88Å; K338-E342 WeakPolarHBondContact CE-OE1 3.34Å; K338-E342 WeakPolarHBondContact CE-OE2 3.43Å; K338-E342 HydrophobicContact CG-CG 4.16Å; K338-E342 WeakPolarHBondContact CG-OE2 3.43Å; K338-E342 IonicContact NZ-OE1 2.75Å; K338-E342 WeakPolarHBondContact O-CB 3.19Å; K338-E342 WeakPolarHBondContact O-CG 3.41Å; K338-E342 PolarHBondContact O-N 3.28Å
339	E	96.4	Very high	94.8	Very high	65 Å²	65	56.6 Å²	56.6	30%	0.304	29%	0.285	S	S	.	.	H	α-helix	trans	-60.2	-33.1	178.3	-178.6	-175.6	173.9	0	0	112.8	V318 K335 S336 Q343	V318-E339 HydrophobicContact CG1-CG 4.36Å; K335-E339 WeakPolarHBondContact CE-OE1 3.38Å; K335-E339 IonicContact NZ-OE1 3.46Å; K335-E339 PolarHBondContact NZ-OE1 3.25Å; S336-E339 PolarHBondContact O-N 3.11Å; S336-E339 VanDerWaalsContact O-N 3.1Å; S336-E339 WeakPolarHBondContact OG-CB 3.26Å; S336-E339 PolarHBondContact OG-N 2.88Å; S336-E339 VanDerWaalsContact OG-N 3.12Å; E339-Q343 VanDerWaalsContact O-CG 3.31Å; E339-Q343 WeakPolarHBondContact O-CG 3.31Å; E339-Q343 PolarHBondContact O-NE2 2.8Å
340	L	96.9	Very high	94.5	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-74.6	-43.7	176.1	-65.7	175.5	0	0	0	112.7	F84 V221 L222 L314 V318 L332 K335 S336 A337 K338	F84-L340 HydrophobicContact CZ-CD1 4.07Å; V221-L340 HydrophobicContact CG1-CB 4.27Å; L222-L340 HydrophobicContact CD2-CD1 4.13Å; L314-L340 HydrophobicContact CD2-CD2 4.49Å; V318-L340 HydrophobicContact CG1-CD2 4.36Å; V318-L340 HydrophobicContact CG2-CD2 4.34Å; L332-L340 HydrophobicContact CD2-CD2 3.76Å; K335-L340 HydrophobicContact CB-CD1 4.28Å; K335-L340 HydrophobicContact CB-CD2 3.83Å; K335-L340 HydrophobicContact CB-CG 3.87Å; K335-L340 HydrophobicContact CG-CD2 4.1Å; S336-L340 PolarHBondContact O-N 3.39Å; S336-L340 VanDerWaalsContact O-N 3.16Å; A337-L340 PolarHBondContact O-N 3.38Å; K338-L340 VanDerWaalsContact C-N 3.25Å; K338-L340 PolarHBondContact O-N 3.37Å
341	V	94.2	Very high	94.3	Very high	22 Å²	22	56.4 Å²	56.4	13%	0.133	28%	0.282	C	S	.	.	H	α-helix	trans	-81.1	-25	-172.8	170.3	0	0	0	0	112.9	P107 Q108 N109 L222 A337 K338 Q343	P107-V341 HydrophobicContact CB-CG2 4.19Å; Q108-V341 VanDerWaalsContact C-CG1 3.5Å; N109-V341 HydrophobicContact CB-CG1 3.98Å; L222-V341 HydrophobicContact CD1-CG2 4.36Å; A337-V341 WeakPolarHBondContact O-CB 3.31Å; A337-V341 VanDerWaalsContact O-CG2 3.31Å; A337-V341 WeakPolarHBondContact O-CG2 3.41Å; A337-V341 PolarHBondContact O-N 3.47Å; K338-V341 PolarHBondContact O-N 2.88Å; V341-Q343 PolarHBondContact O-N 2.88Å
342	E	92.9	Very high	94	Very high	99 Å²	99	55.1 Å²	55.1	46%	0.463	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-0.3	174.6	-70.5	-177.3	149.4	0	0	113.7	K338	K338-E342 WeakPolarHBondContact CE-OE1 3.34Å; K338-E342 WeakPolarHBondContact CE-OE2 3.43Å; K338-E342 HydrophobicContact CG-CG 4.16Å; K338-E342 WeakPolarHBondContact CG-OE2 3.43Å; K338-E342 IonicContact NZ-OE1 2.75Å; K338-E342 WeakPolarHBondContact O-CB 3.19Å; K338-E342 WeakPolarHBondContact O-CG 3.41Å; K338-E342 PolarHBondContact O-N 3.28Å
343	Q	94.2	Very high	93.9	Very high	55 Å²	55	55.5 Å²	55.5	26%	0.257	28%	0.275	S	S	.	.	S	Bend	trans	-78.7	122.9	178.5	-58.7	-51.6	-41.1	0	0	112.6	L314 K317 V318 E339 V341 I345	L314-Q343 HydrophobicContact CD1-CB 3.7Å; L314-Q343 HydrophobicContact CD1-CG 3.66Å; K317-Q343 HydrophobicContact CB-CG 4.45Å; K317-Q343 HydrophobicContact CD-CB 4.44Å; V318-Q343 HydrophobicContact CG1-CG 3.77Å; E339-Q343 VanDerWaalsContact O-CG 3.31Å; E339-Q343 WeakPolarHBondContact O-CG 3.31Å; E339-Q343 PolarHBondContact O-NE2 2.8Å; V341-Q343 PolarHBondContact O-N 2.88Å; Q343-I345 HydrophobicContact CB-CD1 4.44Å; Q343-I345 HydrophobicContact CB-CG1 4.18Å; Q343-I345 PolarHBondContact O-N 2.93Å
344	D	90.9	Very high	93.8	Very high	83 Å²	83	53.9 Å²	53.9	44%	0.444	27%	0.27	S	S	.	.			trans	-70.7	90.9	174.4	177.1	39.3	0	0	0	111.7	K317 Q346	K317-D344 PolarHBondContact NZ-O 3.35Å; D344-Q346 WeakPolarHBondContact OD1-CG 3.47Å; D344-Q346 PolarHBondContact OD1-NE2 3.35Å
345	I	91.8	Very high	93.8	Very high	17 Å²	17	46 Å²	46	9%	0.087	23%	0.233	C	C	.	.			trans	-109.4	90.9	178.7	-56.2	-64.4	0	0	0	109	Y310 L313 L314 K317 Q343 P347 A353 F354	Y310-I345 HydrophobicContact CD1-CG2 3.88Å; Y310-I345 HydrophobicContact CG-CG2 4.49Å; L313-I345 HydrophobicContact CB-CD1 4.41Å; L313-I345 HydrophobicContact CD2-CD1 4.17Å; L313-I345 HydrophobicContact CD2-CG2 4.37Å; L313-I345 HydrophobicContact CG-CD1 3.87Å; L314-I345 HydrophobicContact CB-CD1 4.22Å; L314-I345 HydrophobicContact CB-CG1 4.43Å; L314-I345 HydrophobicContact CD1-CG1 4.31Å; K317-I345 HydrophobicContact CD-CD1 3.95Å; Q343-I345 HydrophobicContact CB-CD1 4.44Å; Q343-I345 HydrophobicContact CB-CG1 4.18Å; Q343-I345 PolarHBondContact O-N 2.93Å; I345-P347 WeakPolarHBondContact O-CD 3.1Å; I345-A353 HydrophobicContact CG2-CB 3.97Å; I345-F354 HydrophobicContact CB-CE2 3.94Å; I345-F354 HydrophobicContact CG1-CE2 4.09Å; I345-F354 HydrophobicContact CG2-CE2 3.79Å; I345-F354 HydrophobicContact CG2-CZ 4.21Å
346	Q	88.3	Confident	93.8	Very high	113 Å²	113	43.8 Å²	43.8	53%	0.528	22%	0.223	S	C	.	.			trans	-79.3	122.3	-177.6	-66.8	-61.3	-38.6	0	0	112	D344	D344-Q346 WeakPolarHBondContact OD1-CG 3.47Å; D344-Q346 PolarHBondContact OD1-NE2 3.35Å
347	P	89.8	Confident	93.9	Very high	45 Å²	45	41 Å²	41	29%	0.292	20%	0.204	S	C	.	.			trans	-74.7	176.2	172.4	30.9	-33.2	0	0	0	112.3	Y310 I345 H351 A353	Y310-P347 HydrophobicContact CE1-CB 4.39Å; Y310-P347 WeakPolarHBondContact OH-CA 3.27Å; I345-P347 WeakPolarHBondContact O-CD 3.1Å; P347-H351 WeakPolarHBondContact CB-O 3.4Å; P347-H351 WeakPolarHBondContact CG-O 3.27Å; P347-A353 HydrophobicContact CB-CB 4.01Å; P347-A353 HydrophobicContact CG-CB 4.37Å
348	A	89.6	Confident	94	Very high	40 Å²	40	43.7 Å²	43.7	33%	0.331	22%	0.216	S	C	.	.	S	Bend	trans	-62.5	146.9	160.4	0	0	0	0	0	109	Y310 Y350 H351	Y310-A348 PolarHBondContact OH-N 2.77Å; A348-Y350 PolarHBondContact O-N 2.88Å; A348-H351 HydrophobicContact CB-CB 4.37Å; A348-H351 WeakPolarHBondContact O-CB 3.15Å; A348-H351 PolarHBondContact O-N 2.86Å; A348-H351 VanDerWaalsContact O-N 3.07Å
349	R	89.3	Confident	94.1	Very high	103 Å²	103	38.8 Å²	38.8	39%	0.389	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	140.2	-179.4	-159.3	-178.8	-174.8	-170.9	-0.7	109.5	H351 N415 N419	R349-H351 PolarHBondContact O-N 3.5Å; R349-H351 PolarHBondContact O-ND1 3.21Å; R349-N415 PolarHBondContact NH1-OD1 3.47Å; R349-N419 HydrophobicContact CB-CB 3.99Å; R349-N419 VanDerWaalsContact CB-OD1 3.27Å; R349-N419 WeakPolarHBondContact CB-OD1 3.31Å
350	Y	92.3	Very high	94.2	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.012	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	10.5	-177.2	-38.5	-61.2	0	0	0	116.1	V117 S300 W301 A348 F393 F416 N419 L420 F458	V117-Y350 HydrophobicContact CG2-CD1 4.36Å; V117-Y350 HydrophobicContact CG2-CE1 4.4Å; S300-Y350 CarbonylContact C-O 3.6Å; S300-Y350 PolarHBondContact OG-O 3.42Å; W301-Y350 PolarHBondContact N-O 3Å; A348-Y350 PolarHBondContact O-N 2.88Å; Y350-F393 VanDerWaalsContact OH-CE2 3.24Å; Y350-F393 WeakPolarHBondContact OH-CE2 3.32Å; Y350-F416 HydrophobicContact CE2-CD2 4.27Å; Y350-N419 HydrophobicContact CD2-CB 3.8Å; Y350-N419 HydrophobicContact CE2-CB 3.8Å; Y350-L420 HydrophobicContact CD2-CD1 4.32Å; Y350-L420 HydrophobicContact CD2-CD2 4.3Å; Y350-L420 HydrophobicContact CD2-CG 3.95Å; Y350-F458 AromaticContact CD1-CE2 3.53Å; Y350-F458 HydrophobicContact CD1-CE2 3.53Å; Y350-F458 AromaticContact CD1-CZ 3.51Å; Y350-F458 HydrophobicContact CD1-CZ 3.51Å; Y350-F458 HydrophobicContact CE1-CD2 4.38Å; Y350-F458 AromaticContact CE1-CE2 3.23Å; Y350-F458 HydrophobicContact CE1-CE2 3.23Å; Y350-F458 AromaticContact CE1-CZ 3.42Å; Y350-F458 HydrophobicContact CE1-CZ 3.42Å; Y350-F458 VanDerWaalsContact CE1-CZ 3.42Å; Y350-F458 HydrophobicContact CG-CE2 4.28Å; Y350-F458 AromaticContact CZ-CE2 3.79Å
351	H	93.6	Very high	94.2	Very high	52 Å²	52	40.6 Å²	40.6	24%	0.241	22%	0.221	C	C	.	.	S	Bend	trans	-121.7	167.4	173.7	-58.3	81.3	0	0	0	110	S300 P347 A348 R349	S300-H351 PolarHBondContact O-CD2 3.17Å; P347-H351 WeakPolarHBondContact CB-O 3.4Å; P347-H351 WeakPolarHBondContact CG-O 3.27Å; A348-H351 HydrophobicContact CB-CB 4.37Å; A348-H351 WeakPolarHBondContact O-CB 3.15Å; A348-H351 PolarHBondContact O-N 2.86Å; A348-H351 VanDerWaalsContact O-N 3.07Å; R349-H351 PolarHBondContact O-N 3.5Å; R349-H351 PolarHBondContact O-ND1 3.21Å
352	V	93.8	Very high	94.3	Very high	7 Å²	7	39.7 Å²	39.7	4%	0.042	22%	0.215	C	C	.	.			trans	-111.1	143.7	-179.4	-68.3	0	0	0	0	111.8	M118 Y191 W301 N304	M118-V352 HydrophobicContact SD-CG1 4.31Å; Y191-V352 HydrophobicContact CD2-CG1 4.15Å; Y191-V352 HydrophobicContact CD2-CG2 4.4Å; Y191-V352 HydrophobicContact CE2-CG2 4.49Å; W301-V352 HydrophobicContact CB-CG1 4.05Å; W301-V352 VanDerWaalsContact O-CG1 3.31Å; W301-V352 WeakPolarHBondContact O-CG1 3.48Å; W301-V352 WeakPolarHBondContact O-CG2 3.26Å; N304-V352 HydrophobicContact CB-CG2 4.25Å
353	A	94.6	Very high	94.6	Very high	7 Å²	7	35 Å²	35	6%	0.058	19%	0.194	C	C	.	.	S	Bend	trans	-86.5	-37.6	179.7	0	0	0	0	0	112.6	N304 Y310 I345 P347	N304-A353 PolarHBondContact ND2-O 3.01Å; Y310-A353 WeakPolarHBondContact CB-O 3.3Å; Y310-A353 HydrophobicContact CD1-CB 3.88Å; Y310-A353 HydrophobicContact CD2-CB 4.27Å; Y310-A353 WeakPolarHBondContact CD2-O 3.39Å; Y310-A353 HydrophobicContact CE1-CB 4.26Å; Y310-A353 HydrophobicContact CG-CB 3.9Å; I345-A353 HydrophobicContact CG2-CB 3.97Å; P347-A353 HydrophobicContact CB-CB 4.01Å; P347-A353 HydrophobicContact CG-CB 4.37Å
354	F	97.4	Very high	94.7	Very high	2 Å²	2	35 Å²	35	1%	0.009	20%	0.198	C	C	.	.	S	Bend	trans	-133.7	107.4	174.6	-58.9	-74.8	0	0	0	107.9	M192 V221 F224 L314 I345	M192-F354 HydrophobicContact CE-CD2 4.24Å; M192-F354 HydrophobicContact SD-CB 3.95Å; M192-F354 HydrophobicContact SD-CD2 4.13Å; V221-F354 HydrophobicContact CG2-CD2 3.85Å; V221-F354 HydrophobicContact CG2-CE1 4.45Å; V221-F354 HydrophobicContact CG2-CE2 3.72Å; V221-F354 HydrophobicContact CG2-CG 4.28Å; V221-F354 HydrophobicContact CG2-CZ 4.05Å; F224-F354 HydrophobicContact CB-CB 4.13Å; L314-F354 HydrophobicContact CB-CZ 4.11Å; L314-F354 HydrophobicContact CD2-CE1 4.47Å; L314-F354 HydrophobicContact CD2-CZ 4.04Å; I345-F354 HydrophobicContact CB-CE2 3.94Å; I345-F354 HydrophobicContact CG1-CE2 4.09Å; I345-F354 HydrophobicContact CG2-CE2 3.79Å; I345-F354 HydrophobicContact CG2-CZ 4.21Å
355	G	97.4	Very high	95.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-162.2	-175.8	179.6	0	0	0	0	0	108.8	F224	F224-G355 VanDerWaalsContact CB-N 3.34Å
356	P	98.7	Very high	95.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.2	C	C	.	.			trans	-49.8	144.5	178.9	-30.7	38.1	0	0	0	113.4	Y191 F224 N235 L238 L276 V303 N304	Y191-P356 HydrophobicContact CD1-CG 4.36Å; Y191-P356 HydrophobicContact CE1-CG 3.6Å; Y191-P356 VanDerWaalsContact CE2-CD 3.44Å; Y191-P356 HydrophobicContact CE2-CG 4.31Å; F224-P356 HydrophobicContact CD1-CG 4.39Å; F224-P356 HydrophobicContact CE1-CG 3.96Å; N235-P356 VanDerWaalsContact OD1-CA 3.31Å; N235-P356 WeakPolarHBondContact OD1-CA 3.49Å; L238-P356 HydrophobicContact CD1-CB 4.01Å; L238-P356 HydrophobicContact CD1-CG 4.1Å; L238-P356 HydrophobicContact CD2-CG 4.44Å; L238-P356 HydrophobicContact CG-CG 4.34Å; L276-P356 HydrophobicContact CD1-CB 3.66Å; L276-P356 HydrophobicContact CD1-CG 3.57Å; V303-P356 CarbonylContact C-O 3.53Å; V303-P356 WeakPolarHBondContact CA-O 3.46Å; N304-P356 PolarHBondContact N-O 2.03Å
357	V	98.7	Very high	95.8	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.018	18%	0.175	C	C	.	.			trans	-128.2	152.5	179.7	-64.6	0	0	0	0	110	K233 N235 N304 P307 D359	K233-V357 WeakPolarHBondContact O-CG2 3.45Å; N235-V357 PolarHBondContact ND2-O 3.48Å; N235-V357 PolarHBondContact OD1-N 3.02Å; N235-V357 PolarHBondContact OD1-O 2.79Å; N304-V357 HydrophobicContact CB-CG1 4.17Å; P307-V357 HydrophobicContact CB-CG1 3.8Å; P307-V357 HydrophobicContact CG-CG1 3.91Å; V357-D359 HydrophobicContact CG2-CB 4.3Å; V357-D359 PolarHBondContact O-N 3.06Å
358	I	98.6	Very high	96	Very high	64 Å²	64	32.6 Å²	32.6	33%	0.328	18%	0.183	S	C	.	.			trans	-76.7	100.6	167.5	-56.6	166	0	0	0	106.7	V303 Y305 I363 D366	V303-I358 HydrophobicContact CG1-CG1 4.26Å; Y305-I358 HydrophobicContact CD1-CD1 4.24Å; Y305-I358 HydrophobicContact CE1-CD1 3.69Å; I358-I363 HydrophobicContact CG1-CG2 4.25Å; I358-D366 HydrophobicContact CD1-CB 4.15Å
359	D	97.6	Very high	96.3	Very high	34 Å²	34	33.9 Å²	33.9	18%	0.182	18%	0.184	C	C	.	.			trans	-100.9	-5.7	-176.4	62.8	-5.4	0	0	0	113.3	N235 V357 D361 V362 I363	N235-D359 PolarHBondContact ND2-OD1 3.2Å; N235-D359 PolarHBondContact ND2-OD2 2.99Å; V357-D359 HydrophobicContact CG2-CB 4.3Å; V357-D359 PolarHBondContact O-N 3.06Å; D359-D361 VanDerWaalsContact C-N 3.26Å; D359-D361 PolarHBondContact OD1-N 3.33Å; D359-V362 PolarHBondContact OD1-N 3.42Å; D359-V362 WeakPolarHBondContact OD2-CB 3.49Å; D359-V362 WeakPolarHBondContact OD2-CG2 3.38Å; D359-V362 PolarHBondContact OD2-N 2.93Å; D359-I363 PolarHBondContact N-O 2.9Å; D359-I363 PolarHBondContact OD1-N 3.04Å
360	G	97.3	Very high	96.7	Very high	54 Å²	54	29.2 Å²	29.2	56%	0.557	17%	0.167	S	C	*	.	S	Bend	trans	74.8	14.5	-175.7	0	0	0	0	0	113.7	I363	G360-I363 PolarHBondContact N-O 3.36Å; G360-I363 VanDerWaalsContact N-O 3.14Å
361	D	96.7	Very high	96.8	Very high	49 Å²	49	29.1 Å²	29.1	26%	0.262	17%	0.166	S	C	.	.	S	Bend	trans	-141.8	-77.1	-172.8	-171.3	-9.5	0	0	0	110.5	K233 H281 H282 D359	K233-D361 IonicContact NZ-OD2 3.73Å; K233-D361 PolarHBondContact NZ-OD2 3.24Å; H281-D361 PolarHBondContact CE1-O 2.64Å; H281-D361 IonicContact CE1-OD1 3.6Å; H281-D361 PolarHBondContact ND1-O 2.86Å; H281-D361 VanDerWaalsContact ND1-O 3.16Å; H282-D361 IonicContact CD2-OD1 2.87Å; H282-D361 IonicContact CE1-OD1 4Å; H282-D361 IonicContact NE2-OD1 2.72Å; H282-D361 PolarHBondContact NE2-OD1 3.02Å; D359-D361 VanDerWaalsContact C-N 3.26Å; D359-D361 PolarHBondContact OD1-N 3.33Å
362	V	97.6	Very high	96.8	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.024	18%	0.177	C	C	.	.	S	Bend	trans	-67.3	-43.1	175.2	-176.6	0	0	0	0	110.2	N235 L238 L239 I242 S280 D359	N235-V362 HydrophobicContact CB-CB 4.09Å; N235-V362 HydrophobicContact CB-CG1 4.22Å; N235-V362 HydrophobicContact CB-CG2 4.18Å; L238-V362 HydrophobicContact CB-CG1 4.27Å; L238-V362 HydrophobicContact CD1-CG1 4.31Å; L239-V362 HydrophobicContact CD1-CG2 4.11Å; L239-V362 HydrophobicContact CD2-CG2 3.69Å; L239-V362 HydrophobicContact CG-CG2 3.88Å; I242-V362 HydrophobicContact CD1-CG1 4.22Å; S280-V362 WeakPolarHBondContact CB-O 3.26Å; S280-V362 PolarHBondContact OG-O 3.06Å; D359-V362 PolarHBondContact OD1-N 3.42Å; D359-V362 WeakPolarHBondContact OD2-CB 3.49Å; D359-V362 WeakPolarHBondContact OD2-CG2 3.38Å; D359-V362 PolarHBondContact OD2-N 2.93Å
363	I	98.3	Very high	96.8	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	20%	0.201	C	C	.	.	S	Bend	trans	-120.8	97.6	172.7	-55.5	-60.3	0	0	0	106.6	L238 L276 I358 D359 G360 D365 L370	L238-I363 HydrophobicContact CD1-CD1 4.16Å; L238-I363 HydrophobicContact CD1-CG1 4.2Å; L276-I363 HydrophobicContact CB-CD1 4.01Å; L276-I363 HydrophobicContact CD2-CD1 3.87Å; L276-I363 HydrophobicContact CD2-CG1 4.47Å; L276-I363 HydrophobicContact CG-CD1 4.5Å; I358-I363 HydrophobicContact CG1-CG2 4.25Å; D359-I363 PolarHBondContact N-O 2.9Å; D359-I363 PolarHBondContact OD1-N 3.04Å; G360-I363 PolarHBondContact N-O 3.36Å; G360-I363 VanDerWaalsContact N-O 3.14Å; I363-D365 WeakPolarHBondContact CG2-O 3.21Å; I363-D365 PolarHBondContact O-N 3.2Å; I363-L370 HydrophobicContact CG2-CD1 4.39Å
364	P	97.2	Very high	96.6	Very high	53 Å²	53	36.9 Å²	36.9	34%	0.344	20%	0.204	S	C	.	.			trans	-66.5	-34	-169	-25.9	35.5	0	0	0	115.5	L370	P364-L370 HydrophobicContact CB-CD2 4.32Å
365	D	98	Very high	96	Very high	70 Å²	70	41.3 Å²	41.3	37%	0.374	23%	0.225	S	C	.	.	S	Bend	trans	-151.6	-175.1	-177.8	-152	-20.2	0	0	0	109.2	I363 L370	I363-D365 WeakPolarHBondContact CG2-O 3.21Å; I363-D365 PolarHBondContact O-N 3.2Å; D365-L370 HydrophobicContact CB-CD2 3.97Å; D365-L370 HydrophobicContact CB-CG 4.25Å; D365-L370 WeakPolarHBondContact O-CD1 3.4Å
366	D	97.8	Very high	95.6	Very high	37 Å²	37	41.3 Å²	41.3	20%	0.198	23%	0.225	C	C	.	.			trans	-56.6	134.1	175.1	-166.6	-72.5	0	0	0	112	Y305 I358 E368 I369 L370	Y305-D366 WeakPolarHBondContact CE1-OD2 3.28Å; Y305-D366 PolarHBondContact OH-OD2 2.54Å; Y305-D366 VanDerWaalsContact OH-OD2 3.04Å; I358-D366 HydrophobicContact CD1-CB 4.15Å; D366-E368 PolarHBondContact O-N 2.73Å; D366-E368 VanDerWaalsContact O-N 3.14Å; D366-E368 PolarHBondContact OD1-N 3.12Å; D366-I369 HydrophobicContact CB-CB 4.36Å; D366-I369 HydrophobicContact CB-CD1 3.94Å; D366-I369 HydrophobicContact CB-CG1 4.09Å; D366-I369 WeakPolarHBondContact O-CB 3.49Å; D366-I369 PolarHBondContact O-N 3.11Å; D366-L370 WeakPolarHBondContact O-CG 3.35Å; D366-L370 PolarHBondContact O-N 3.14Å
367	P	97.6	Very high	94.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-55.2	-30.8	179.8	-27.6	35.8	0	0	0	115.2	L276 L279 A297 L298 V303 M371	L276-P367 HydrophobicContact CD2-CG 3.88Å; L279-P367 HydrophobicContact CD1-CB 3.86Å; A297-P367 HydrophobicContact CB-CB 3.72Å; A297-P367 HydrophobicContact CB-CG 4.19Å; L298-P367 HydrophobicContact CD2-CB 4.1Å; V303-P367 HydrophobicContact CG2-CG 3.93Å; P367-M371 WeakPolarHBondContact O-CB 3.26Å; P367-M371 VanDerWaalsContact O-CG 3.29Å; P367-M371 WeakPolarHBondContact O-CG 3.43Å; P367-M371 PolarHBondContact O-N 3.01Å
368	E	94.7	Very high	94.3	Very high	102 Å²	102	49.1 Å²	49.1	48%	0.477	27%	0.266	S	S	.	.	H	α-helix	trans	-65.1	-46.4	175	-169.1	170.8	-160.6	0	0	110.5	L298 D366 L370 M371 E372	L298-E368 HydrophobicContact CD2-CB 3.84Å; L298-E368 HydrophobicContact CD2-CG 4.49Å; D366-E368 PolarHBondContact O-N 2.73Å; D366-E368 VanDerWaalsContact O-N 3.14Å; D366-E368 PolarHBondContact OD1-N 3.12Å; E368-L370 PolarHBondContact O-N 3.11Å; E368-M371 PolarHBondContact O-N 3.45Å; E368-E372 WeakPolarHBondContact O-CG 3.34Å; E368-E372 PolarHBondContact O-N 2.66Å
369	I	96.4	Very high	94.1	Very high	66 Å²	66	46.6 Å²	46.6	34%	0.338	25%	0.253	S	S	.	.	H	α-helix	trans	-61	-44.6	178	-64	175.9	0	0	0	110.9	D366 M371 E372 Q373	D366-I369 HydrophobicContact CB-CB 4.36Å; D366-I369 HydrophobicContact CB-CD1 3.94Å; D366-I369 HydrophobicContact CB-CG1 4.09Å; D366-I369 WeakPolarHBondContact O-CB 3.49Å; D366-I369 PolarHBondContact O-N 3.11Å; I369-M371 PolarHBondContact O-N 3.42Å; I369-E372 PolarHBondContact O-N 3.04Å; I369-Q373 VanDerWaalsContact O-CG 3.27Å; I369-Q373 WeakPolarHBondContact O-CG 3.01Å; I369-Q373 PolarHBondContact O-N 3.3Å
370	L	95.9	Very high	94.2	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-64.9	-37.5	178.3	-61.9	175.6	0	0	0	112.3	L279 I363 P364 D365 D366 E368 G374 E375	L279-L370 HydrophobicContact CB-CB 4.4Å; L279-L370 HydrophobicContact CB-CD1 4.1Å; L279-L370 HydrophobicContact CD1-CB 4.5Å; L279-L370 HydrophobicContact CD2-CB 3.86Å; L279-L370 HydrophobicContact CG-CB 4.48Å; I363-L370 HydrophobicContact CG2-CD1 4.39Å; P364-L370 HydrophobicContact CB-CD2 4.32Å; D365-L370 HydrophobicContact CB-CD2 3.97Å; D365-L370 HydrophobicContact CB-CG 4.25Å; D365-L370 WeakPolarHBondContact O-CD1 3.4Å; D366-L370 WeakPolarHBondContact O-CG 3.35Å; D366-L370 PolarHBondContact O-N 3.14Å; E368-L370 PolarHBondContact O-N 3.11Å; L370-G374 PolarHBondContact O-N 3.4Å; L370-G374 VanDerWaalsContact O-N 3.11Å; L370-E375 HydrophobicContact CD2-CG 4.35Å; L370-E375 PolarHBondContact O-N 3.14Å
371	M	95.4	Very high	94.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-69.8	-36.1	174.2	-72.5	-171.8	-163.2	0	0	112.7	S275 L279 A297 L298 P367 E368 I369 G374 F376 T470 L473	S275-M371 WeakPolarHBondContact OG-CE 3.49Å; L279-M371 HydrophobicContact CD1-CE 3.9Å; L279-M371 HydrophobicContact CD1-CG 4.13Å; L279-M371 HydrophobicContact CD2-CG 3.72Å; A297-M371 HydrophobicContact CB-CE 4.01Å; L298-M371 HydrophobicContact CD1-CE 4.4Å; L298-M371 HydrophobicContact CD1-SD 3.96Å; L298-M371 HydrophobicContact CD2-CE 4.22Å; L298-M371 HydrophobicContact CD2-SD 4.26Å; L298-M371 HydrophobicContact CG-CE 4.04Å; L298-M371 HydrophobicContact CG-SD 4.19Å; P367-M371 WeakPolarHBondContact O-CB 3.26Å; P367-M371 VanDerWaalsContact O-CG 3.29Å; P367-M371 WeakPolarHBondContact O-CG 3.43Å; P367-M371 PolarHBondContact O-N 3.01Å; E368-M371 PolarHBondContact O-N 3.45Å; I369-M371 PolarHBondContact O-N 3.42Å; M371-G374 PolarHBondContact O-N 2.91Å; M371-F376 HydrophobicContact CB-CE1 3.96Å; M371-F376 HydrophobicContact CB-CE2 4.31Å; M371-F376 HydrophobicContact CB-CZ 3.75Å; M371-F376 HydrophobicContact CE-CE2 4.41Å; M371-F376 HydrophobicContact CG-CD2 4.13Å; M371-F376 HydrophobicContact CG-CE1 4.1Å; M371-F376 HydrophobicContact CG-CE2 3.65Å; M371-F376 HydrophobicContact CG-CZ 3.62Å; M371-F376 WeakPolarHBondContact O-CE1 3.39Å; M371-F376 HydrophobicContact SD-CE2 3.81Å; M371-F376 HydrophobicContact SD-CZ 4.03Å; M371-T470 HydrophobicContact CE-CG2 3.96Å; M371-T470 HydrophobicContact SD-CG2 4.05Å; M371-L473 HydrophobicContact CB-CB 4.27Å; M371-L473 HydrophobicContact CB-CD1 3.58Å; M371-L473 HydrophobicContact SD-CD1 4.28Å
372	E	93.9	Very high	94.4	Very high	101 Å²	101	41.6 Å²	41.6	47%	0.472	21%	0.213	S	C	.	.	H	α-helix	trans	-65.8	-40	174.2	-71.7	-154.4	129.5	0	0	112.3	E368 I369 G374 L473 Y477	E368-E372 WeakPolarHBondContact O-CG 3.34Å; E368-E372 PolarHBondContact O-N 2.66Å; I369-E372 PolarHBondContact O-N 3.04Å; E372-G374 VanDerWaalsContact C-N 3.3Å; E372-G374 PolarHBondContact O-N 2.96Å; E372-L473 HydrophobicContact CG-CD2 4.13Å; E372-Y477 PolarHBondContact O-OH 3.22Å
373	Q	92.5	Very high	94.4	Very high	116 Å²	116	41.4 Å²	41.4	54%	0.542	21%	0.212	S	C	.	.	H	α-helix	trans	-67.3	-28.4	176.4	-71.1	172.9	13.2	0	0	113	I369	I369-Q373 VanDerWaalsContact O-CG 3.27Å; I369-Q373 WeakPolarHBondContact O-CG 3.01Å; I369-Q373 PolarHBondContact O-N 3.3Å
374	G	90.6	Very high	94.4	Very high	12 Å²	12	41.4 Å²	41.4	12%	0.124	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.7	24.2	174	0	0	0	0	0	115.1	L370 M371 E372 F376 L377	L370-G374 PolarHBondContact O-N 3.4Å; L370-G374 VanDerWaalsContact O-N 3.11Å; M371-G374 PolarHBondContact O-N 2.91Å; E372-G374 VanDerWaalsContact C-N 3.3Å; E372-G374 PolarHBondContact O-N 2.96Å; G374-F376 PolarHBondContact O-N 3.18Å; G374-L377 WeakPolarHBondContact O-CB 3.39Å; G374-L377 WeakPolarHBondContact O-CD1 3.28Å; G374-L377 WeakPolarHBondContact O-CG 3.2Å; G374-L377 PolarHBondContact O-N 2.89Å
375	E	86.3	Confident	94.5	Very high	95 Å²	95	38.9 Å²	38.9	44%	0.444	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-34.6	-179.4	-62.4	-58.1	129.9	0	0	112.5	L370 L377	L370-E375 HydrophobicContact CD2-CG 4.35Å; L370-E375 PolarHBondContact O-N 3.14Å; E375-L377 PolarHBondContact O-N 3.31Å
376	F	87.9	Confident	94.5	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	8.9	179.4	71.6	-23.1	0	0	0	117.1	T278 L279 M371 G374 N378 Y379 I381 T470 L473 H474	T278-F376 VanDerWaalsContact O-CA 3.29Å; T278-F376 WeakPolarHBondContact O-CA 3.05Å; T278-F376 VanDerWaalsContact O-CB 3.25Å; T278-F376 WeakPolarHBondContact O-CB 3.36Å; L279-F376 HydrophobicContact CD2-CB 3.79Å; L279-F376 HydrophobicContact CD2-CD1 4.43Å; L279-F376 HydrophobicContact CD2-CD2 4.26Å; L279-F376 HydrophobicContact CD2-CG 3.93Å; M371-F376 HydrophobicContact CB-CE1 3.96Å; M371-F376 HydrophobicContact CB-CE2 4.31Å; M371-F376 HydrophobicContact CB-CZ 3.75Å; M371-F376 HydrophobicContact CE-CE2 4.41Å; M371-F376 HydrophobicContact CG-CD2 4.13Å; M371-F376 HydrophobicContact CG-CE1 4.1Å; M371-F376 HydrophobicContact CG-CE2 3.65Å; M371-F376 HydrophobicContact CG-CZ 3.62Å; M371-F376 WeakPolarHBondContact O-CE1 3.39Å; M371-F376 HydrophobicContact SD-CE2 3.81Å; M371-F376 HydrophobicContact SD-CZ 4.03Å; G374-F376 PolarHBondContact O-N 3.18Å; F376-N378 PolarHBondContact O-N 2.84Å; F376-Y379 WeakPolarHBondContact O-CD2 3.44Å; F376-I381 HydrophobicContact CD2-CD1 4.22Å; F376-T470 HydrophobicContact CE2-CG2 4.16Å; F376-L473 HydrophobicContact CE1-CB 4.44Å; F376-L473 HydrophobicContact CZ-CB 3.86Å; F376-H474 HydrophobicContact CE1-CB 4.39Å; F376-H474 HydrophobicContact CE2-CB 3.85Å; F376-H474 HydrophobicContact CZ-CB 3.74Å; F376-H474 PolarHBondContact O-NE2 3.42Å
377	L	82.9	Confident	94.5	Very high	38 Å²	38	35.1 Å²	35.1	20%	0.199	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-7.7	-170.6	-65.2	174.7	0	0	0	115.5	G374 E375 Y379 Y477 S479	G374-L377 WeakPolarHBondContact O-CB 3.39Å; G374-L377 WeakPolarHBondContact O-CD1 3.28Å; G374-L377 WeakPolarHBondContact O-CG 3.2Å; G374-L377 PolarHBondContact O-N 2.89Å; E375-L377 PolarHBondContact O-N 3.31Å; L377-Y379 VanDerWaalsContact C-N 3.28Å; L377-Y379 PolarHBondContact O-N 3.18Å; L377-Y477 HydrophobicContact CD1-CD1 4.2Å; L377-Y477 HydrophobicContact CD1-CD2 3.55Å; L377-Y477 HydrophobicContact CD1-CE2 4.2Å; L377-Y477 HydrophobicContact CD1-CG 3.5Å; L377-Y477 VanDerWaalsContact CD1-CG 3.5Å; L377-Y477 HydrophobicContact CD2-CD2 3.72Å; L377-Y477 HydrophobicContact CD2-CG 4.17Å; L377-Y477 HydrophobicContact CG-CD2 4.21Å; L377-Y477 HydrophobicContact CG-CG 4.47Å; L377-S479 PolarHBondContact O-OG 3.02Å
378	N	86.3	Confident	94.5	Very high	129 Å²	129	35.3 Å²	35.3	69%	0.69	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-2.5	-176.7	-69.5	-39.5	0	0	0	114.7	F376	F376-N378 PolarHBondContact O-N 2.84Å
379	Y	96.4	Very high	94.6	Very high	10 Å²	10	30.6 Å²	30.6	4%	0.039	16%	0.155	C	C	.	.	S	Bend	trans	-110.6	150.3	-171.7	-53.5	-73.9	0	0	0	112.3	T278 F287 Q288 F376 L377 H474	T278-Y379 HydrophobicContact CG2-CD2 3.75Å; T278-Y379 HydrophobicContact CG2-CE2 4.04Å; T278-Y379 HydrophobicContact CG2-CG 4.17Å; T278-Y379 WeakPolarHBondContact O-CE2 3.39Å; F287-Y379 AromaticContact CD2-CD1 3.82Å; F287-Y379 HydrophobicContact CD2-CD1 3.82Å; F287-Y379 AromaticContact CD2-CE1 3.75Å; F287-Y379 HydrophobicContact CD2-CE1 3.75Å; F287-Y379 AromaticContact CE2-CD1 3.61Å; F287-Y379 HydrophobicContact CE2-CD1 3.61Å; F287-Y379 AromaticContact CE2-CE1 3.48Å; F287-Y379 HydrophobicContact CE2-CE1 3.48Å; F287-Y379 VanDerWaalsContact CE2-CE1 3.48Å; F287-Y379 HydrophobicContact CE2-CG 4.27Å; F287-Y379 HydrophobicContact CG-CE1 4.37Å; F287-Y379 HydrophobicContact CZ-CD1 4.43Å; F287-Y379 AromaticContact CZ-CE1 3.9Å; F287-Y379 HydrophobicContact CZ-CE1 3.9Å; F287-Y379 WeakPolarHBondContact O-CE1 3.42Å; Q288-Y379 WeakPolarHBondContact O-CA 3.24Å; F376-Y379 WeakPolarHBondContact O-CD2 3.44Å; L377-Y379 VanDerWaalsContact C-N 3.28Å; L377-Y379 PolarHBondContact O-N 3.18Å; Y379-H474 PolarHBondContact O-CE1 3.11Å; Y379-H474 PolarHBondContact O-NE2 2.93Å; Y379-H474 VanDerWaalsContact O-NE2 3.11Å
380	D	98.3	Very high	94.6	Very high	31 Å²	31	27.6 Å²	27.6	17%	0.166	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	132.4	156.7	-57.5	-49.4	0	0	0	107.6	Q288 R289 A290 P480 F544 G548	Q288-D380 PolarHBondContact O-N 3.5Å; R289-D380 CarbonylContact C-O 3.59Å; R289-D380 VanDerWaalsContact CA-O 3.28Å; R289-D380 WeakPolarHBondContact CA-O 3.39Å; R289-D380 HydrophobicContact CB-CB 4.34Å; R289-D380 HydrophobicContact CG-CB 3.91Å; R289-D380 IonicContact CZ-OD2 3.92Å; R289-D380 IonicContact NE-OD2 2.75Å; R289-D380 PolarHBondContact NE-OD2 2.88Å; R289-D380 IonicContact NH2-OD2 3.06Å; R289-D380 PolarHBondContact NH2-OD2 2.98Å; A290-D380 PolarHBondContact N-O 2.69Å; D380-P480 HydrophobicContact CB-CB 4.5Å; D380-P480 WeakPolarHBondContact OD1-CB 3.35Å; D380-P480 WeakPolarHBondContact OD1-CG 3.23Å; D380-F544 HydrophobicContact CB-CE2 3.85Å; D380-F544 HydrophobicContact CB-CZ 3.69Å; D380-F544 WeakPolarHBondContact O-CZ 3.43Å; D380-G548 VanDerWaalsContact OD2-CA 3.29Å; D380-G548 WeakPolarHBondContact OD2-CA 3.44Å
381	I	98.7	Very high	94.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.6	178.6	-56.5	-170.8	0	0	0	112.3	A290 I292 F376 L383 H474 P480 T481 Y482	A290-I381 HydrophobicContact CB-CG1 4.23Å; A290-I381 WeakPolarHBondContact O-CA 3.39Å; I292-I381 HydrophobicContact CD1-CG2 3.94Å; I292-I381 HydrophobicContact CG1-CG2 4.4Å; F376-I381 HydrophobicContact CD2-CD1 4.22Å; I381-L383 HydrophobicContact CG2-CB 4.37Å; I381-L383 HydrophobicContact CG2-CD2 4.17Å; I381-H474 VanDerWaalsContact CD1-CD2 3.46Å; I381-H474 WeakPolarHBondContact CD1-CD2 3.34Å; I381-H474 VanDerWaalsContact CG1-CE1 3.5Å; I381-H474 WeakPolarHBondContact CG1-CE1 3.31Å; I381-P480 PolarHBondContact N-O 3.47Å; I381-T481 CarbonylContact O-C 3.54Å; I381-T481 VanDerWaalsContact O-CA 3.28Å; I381-T481 WeakPolarHBondContact O-CA 3.42Å; I381-Y482 PolarHBondContact O-N 3.08Å
382	M	98.9	Very high	94.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133.8	161.3	177.8	-170.6	-66.6	0	0	108.5	A290 I291 I292 Y482 Y484 W541 F544 P550 W573	A290-M382 PolarHBondContact O-N 3.09Å; I291-M382 CarbonylContact C-O 3.46Å; I291-M382 VanDerWaalsContact CA-O 3.26Å; I291-M382 WeakPolarHBondContact CA-O 3.27Å; I291-M382 HydrophobicContact CB-CB 4.49Å; I291-M382 HydrophobicContact CD1-SD 4.42Å; I291-M382 HydrophobicContact CG1-CB 4.25Å; I291-M382 HydrophobicContact CG2-CB 4.1Å; I291-M382 HydrophobicContact CG2-CG 4.04Å; I291-M382 HydrophobicContact CG2-SD 3.82Å; I292-M382 PolarHBondContact N-O 3.43Å; M382-Y482 CarbonylContact C-O 3.55Å; M382-Y482 WeakPolarHBondContact CA-O 3.42Å; M382-Y484 HydrophobicContact CG-CD1 4.48Å; M382-W541 HydrophobicContact SD-CD2 4.05Å; M382-W541 HydrophobicContact SD-CE3 3.98Å; M382-W541 HydrophobicContact SD-CH2 4.26Å; M382-W541 HydrophobicContact SD-CZ2 4.31Å; M382-W541 HydrophobicContact SD-CZ3 4.1Å; M382-F544 HydrophobicContact CB-CD1 4.15Å; M382-F544 HydrophobicContact CB-CD2 4.45Å; M382-F544 HydrophobicContact CB-CE1 3.88Å; M382-F544 HydrophobicContact CB-CE2 4.21Å; M382-F544 HydrophobicContact CB-CG 4.41Å; M382-F544 HydrophobicContact CB-CZ 3.9Å; M382-F544 HydrophobicContact CE-CB 3.57Å; M382-F544 HydrophobicContact CE-CD1 4.2Å; M382-F544 HydrophobicContact CE-CD2 4.09Å; M382-F544 HydrophobicContact CE-CG 3.7Å; M382-P550 HydrophobicContact CE-CB 3.7Å; M382-P550 HydrophobicContact CE-CG 4.26Å; M382-W573 HydrophobicContact CE-CE3 4.41Å; M382-W573 HydrophobicContact CE-CH2 3.68Å; M382-W573 HydrophobicContact CE-CZ3 3.63Å; M382-W573 HydrophobicContact CG-CH2 3.67Å; M382-W573 HydrophobicContact CG-CZ2 4.05Å; M382-W573 HydrophobicContact SD-CH2 3.49Å; M382-W573 WeakPolarHBondContact SD-CH2 3.34Å; M382-W573 HydrophobicContact SD-CZ2 4.42Å; M382-W573 HydrophobicContact SD-CZ3 3.91Å
383	L	98.8	Very high	94.5	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	162.5	177.2	74.2	174.4	0	0	0	112.3	I292 I381 S467 T470 A471 T481 Y482 F483 Y484	I292-L383 HydrophobicContact CB-CB 3.9Å; I292-L383 VanDerWaalsContact O-CA 3.26Å; I292-L383 WeakPolarHBondContact O-CA 3.39Å; I292-L383 WeakPolarHBondContact O-CB 3.33Å; I381-L383 HydrophobicContact CG2-CB 4.37Å; I381-L383 HydrophobicContact CG2-CD2 4.17Å; L383-S467 WeakPolarHBondContact CD1-O 3.42Å; L383-T470 HydrophobicContact CD1-CG2 3.92Å; L383-A471 HydrophobicContact CD1-CB 4.09Å; L383-A471 HydrophobicContact CD2-CB 3.95Å; L383-A471 HydrophobicContact CG-CB 4.38Å; L383-T481 HydrophobicContact CD2-CG2 3.64Å; L383-Y482 PolarHBondContact N-O 3.03Å; L383-F483 HydrophobicContact CD2-CD2 3.96Å; L383-F483 HydrophobicContact CG-CD2 3.86Å; L383-F483 HydrophobicContact CG-CE2 4.08Å; L383-F483 CarbonylContact O-C 3.6Å; L383-F483 VanDerWaalsContact O-CA 3.25Å; L383-F483 WeakPolarHBondContact O-CA 3.49Å; L383-Y484 VanDerWaalsContact O-CD1 3.31Å; L383-Y484 WeakPolarHBondContact O-CD1 3.27Å; L383-Y484 PolarHBondContact O-N 2.81Å
384	G	98.7	Very high	94.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.7	179.2	179.5	0	0	0	0	0	113.7	I292 S294 Y484	I292-G384 PolarHBondContact O-N 3.46Å; S294-G384 PolarHBondContact N-O 2.84Å; G384-Y484 WeakPolarHBondContact CA-O 3.3Å
385	V	98.8	Very high	94.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	159.2	-170.6	-65.5	0	0	0	0	111.4	W463 V464 S467 F483 Y484 A485 F486 Y596	V385-W463 HydrophobicContact CG1-CB 4.06Å; V385-V464 HydrophobicContact CG2-CG2 4.21Å; V385-S467 WeakPolarHBondContact CG1-OG 3.22Å; V385-F483 HydrophobicContact CG2-CE1 4.5Å; V385-F483 HydrophobicContact CG2-CZ 4.48Å; V385-Y484 PolarHBondContact N-O 3Å; V385-A485 CarbonylContact O-C 3.51Å; V385-A485 VanDerWaalsContact O-CA 3.28Å; V385-A485 WeakPolarHBondContact O-CA 3.4Å; V385-F486 PolarHBondContact O-N 2.9Å; V385-Y596 HydrophobicContact CG2-CD1 4.31Å; V385-Y596 HydrophobicContact CG2-CE1 3.58Å
386	N	98.7	Very high	94.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	154.5	174.3	-57.7	-16.3	0	0	0	110.1	G388 E389 F486 A501 A502 E506	N386-G388 VanDerWaalsContact C-N 3.28Å; N386-G388 PolarHBondContact O-N 3.38Å; N386-E389 HydrophobicContact CB-CG 4.36Å; N386-E389 PolarHBondContact N-OE1 3.13Å; N386-F486 HydrophobicContact CB-CB 4.5Å; N386-F486 WeakPolarHBondContact OD1-CB 3.12Å; N386-A501 HydrophobicContact CB-CB 4.26Å; N386-A502 PolarHBondContact ND2-O 2.74Å; N386-E506 PolarHBondContact ND2-OE2 3.08Å
387	Q	97.4	Very high	94.6	Very high	28 Å²	28	24.9 Å²	24.9	13%	0.131	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-32.4	-173.8	-178.4	-173	-15.5	0	0	114.5	F486 Y487 D500 A501	Q387-F486 PolarHBondContact N-O 3.43Å; Q387-Y487 HydrophobicContact CB-CD1 4.18Å; Q387-Y487 HydrophobicContact CB-CD2 4.21Å; Q387-Y487 HydrophobicContact CB-CE1 4.14Å; Q387-Y487 HydrophobicContact CB-CE2 4.13Å; Q387-Y487 HydrophobicContact CB-CG 4.21Å; Q387-Y487 VanDerWaalsContact CD-CD1 3.43Å; Q387-Y487 VanDerWaalsContact CD-CE1 3.45Å; Q387-Y487 HydrophobicContact CG-CD1 3.87Å; Q387-Y487 HydrophobicContact CG-CE1 3.54Å; Q387-Y487 HydrophobicContact CG-CE2 4.32Å; Q387-Y487 HydrophobicContact CG-CG 4.41Å; Q387-D500 HydrophobicContact CB-CB 4.24Å; Q387-D500 VanDerWaalsContact CD-CG 3.48Å; Q387-D500 HydrophobicContact CG-CB 4Å; Q387-D500 PolarHBondContact NE2-OD1 3.2Å; Q387-D500 PolarHBondContact NE2-OD2 3.39Å; Q387-A501 HydrophobicContact CB-CB 4.46Å; Q387-A501 PolarHBondContact N-O 3.49Å
388	G	96.5	Very high	95.1	Very high	4 Å²	4	24.8 Å²	24.8	4%	0.041	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.2	45.1	-170	0	0	0	0	0	113.2	N386 G390 L391 A501 A502	N386-G388 VanDerWaalsContact C-N 3.28Å; N386-G388 PolarHBondContact O-N 3.38Å; G388-G390 PolarHBondContact O-N 3.48Å; G388-G390 VanDerWaalsContact O-N 3.13Å; G388-L391 PolarHBondContact O-N 2.88Å; G388-A501 CarbonylContact C-O 3.54Å; G388-A501 WeakPolarHBondContact CA-O 3.37Å; G388-A501 PolarHBondContact N-O 3.45Å; G388-A502 WeakPolarHBondContact O-CA 3.45Å
389	E	97.8	Very high	95.4	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.019	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-39.7	-49.4	177	-57.7	-78.7	-172.5	0	0	112.4	S294 N386 L391 T459 W463 H503	S294-E389 WeakPolarHBondContact CB-OE1 3.47Å; S294-E389 PolarHBondContact OG-OE1 3.34Å; N386-E389 HydrophobicContact CB-CG 4.36Å; N386-E389 PolarHBondContact N-OE1 3.13Å; E389-L391 PolarHBondContact O-N 3.02Å; E389-T459 HydrophobicContact CB-CG2 3.93Å; E389-T459 HydrophobicContact CG-CG2 3.85Å; E389-T459 PolarHBondContact N-OG1 2.7Å; E389-W463 HydrophobicContact CB-CD2 3.44Å; E389-W463 VanDerWaalsContact CB-CD2 3.44Å; E389-W463 HydrophobicContact CB-CE3 3.31Å; E389-W463 HydrophobicContact CB-CG 4.04Å; E389-W463 HydrophobicContact CB-CH2 3.88Å; E389-W463 HydrophobicContact CB-CZ2 4.02Å; E389-W463 HydrophobicContact CB-CZ3 3.55Å; E389-W463 HydrophobicContact CG-CB 3.95Å; E389-W463 HydrophobicContact CG-CD2 3.72Å; E389-W463 HydrophobicContact CG-CE3 4Å; E389-W463 HydrophobicContact CG-CG 3.74Å; E389-H503 VanDerWaalsContact OE2-CA 3.23Å; E389-H503 WeakPolarHBondContact OE2-CA 3.31Å; E389-H503 IonicContact OE2-CE1 2.69Å; E389-H503 IonicContact OE2-CG 3.7Å; E389-H503 IonicContact OE2-ND1 2.74Å; E389-H503 PolarHBondContact OE2-ND1 3.33Å
390	G	95.6	Very high	95.2	Very high	2 Å²	2	27.3 Å²	27.3	2%	0.021	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	25.9	-175	0	0	0	0	0	116.6	G388 K392 F393 T459	G388-G390 PolarHBondContact O-N 3.48Å; G388-G390 VanDerWaalsContact O-N 3.13Å; G390-K392 VanDerWaalsContact C-N 3.3Å; G390-K392 PolarHBondContact O-N 2.69Å; G390-F393 WeakPolarHBondContact O-CB 3.39Å; G390-F393 PolarHBondContact O-N 3.06Å; G390-F393 VanDerWaalsContact O-N 3.1Å; G390-T459 PolarHBondContact N-OG1 3.35Å
391	L	95.1	Very high	94.8	Very high	10 Å²	10	34.2 Å²	34.2	5%	0.052	20%	0.201	C	C	.	.	H	α-helix	trans	-51.4	-47.8	177.8	177.2	60.8	0	0	0	112.2	V121 G388 E389 F393 V394 W498 A502	V121-L391 HydrophobicContact CG2-CD2 4.27Å; G388-L391 PolarHBondContact O-N 2.88Å; E389-L391 PolarHBondContact O-N 3.02Å; L391-F393 PolarHBondContact O-N 3.35Å; L391-V394 WeakPolarHBondContact O-CG2 3.48Å; L391-V394 PolarHBondContact O-N 2.71Å; L391-W498 HydrophobicContact CD1-CH2 3.41Å; L391-W498 VanDerWaalsContact CD1-CH2 3.41Å; L391-W498 HydrophobicContact CD1-CZ2 4.38Å; L391-W498 HydrophobicContact CD1-CZ3 3.51Å; L391-A502 HydrophobicContact CB-CB 3.8Å; L391-A502 HydrophobicContact CD2-CB 3.71Å; L391-A502 HydrophobicContact CG-CB 4.41Å
392	K	93.4	Very high	94.5	Very high	40 Å²	40	37.5 Å²	37.5	17%	0.174	22%	0.219	C	C	.	.	H	α-helix	trans	-67.8	-14.6	-178.6	-75.4	-65.1	-168	170.2	0	114.4	E116 V117 G390 E395	E116-K392 HydrophobicContact CB-CD 4.32Å; E116-K392 WeakPolarHBondContact OE2-CE 3.35Å; E116-K392 IonicContact OE2-NZ 3.82Å; E116-K392 PolarHBondContact OE2-NZ 3.34Å; V117-K392 HydrophobicContact CG1-CB 4.27Å; G390-K392 VanDerWaalsContact C-N 3.3Å; G390-K392 PolarHBondContact O-N 2.69Å; K392-E395 WeakPolarHBondContact CD-OE2 3.29Å; K392-E395 WeakPolarHBondContact CE-OE2 3.5Å; K392-E395 IonicContact NZ-OE1 2.91Å; K392-E395 IonicContact NZ-OE2 3.89Å; K392-E395 PolarHBondContact NZ-OE2 2.68Å
393	F	93.9	Very high	94.3	Very high	15 Å²	15	37.6 Å²	37.6	7%	0.066	22%	0.22	C	C	.	.	H	α-helix	trans	-71.8	-30.8	176.5	173.5	-120.4	0	0	0	112.8	Y350 G390 L391 F416 L454 L457 F458	Y350-F393 VanDerWaalsContact OH-CE2 3.24Å; Y350-F393 WeakPolarHBondContact OH-CE2 3.32Å; G390-F393 WeakPolarHBondContact O-CB 3.39Å; G390-F393 PolarHBondContact O-N 3.06Å; G390-F393 VanDerWaalsContact O-N 3.1Å; L391-F393 PolarHBondContact O-N 3.35Å; F393-F416 HydrophobicContact CZ-CB 4.19Å; F393-F416 HydrophobicContact CZ-CD2 4.42Å; F393-L454 HydrophobicContact CD1-CG 4.14Å; F393-L454 WeakPolarHBondContact CD1-O 3.4Å; F393-L454 HydrophobicContact CE1-CD1 3.6Å; F393-L454 HydrophobicContact CE1-CD2 4.46Å; F393-L454 HydrophobicContact CE1-CG 3.67Å; F393-L454 HydrophobicContact CZ-CD1 4.22Å; F393-L457 HydrophobicContact CE1-CD2 4.42Å; F393-F458 HydrophobicContact CB-CB 3.94Å; F393-F458 HydrophobicContact CB-CD1 3.56Å; F393-F458 HydrophobicContact CB-CD2 4.24Å; F393-F458 HydrophobicContact CB-CE1 4.12Å; F393-F458 HydrophobicContact CB-CG 3.64Å; F393-F458 HydrophobicContact CD1-CB 3.41Å; F393-F458 VanDerWaalsContact CD1-CB 3.41Å; F393-F458 HydrophobicContact CD1-CD2 4.11Å; F393-F458 AromaticContact CD1-CG 3.8Å; F393-F458 HydrophobicContact CD1-CG 3.8Å; F393-F458 AromaticContact CD2-CD2 3.85Å; F393-F458 HydrophobicContact CD2-CD2 3.85Å; F393-F458 HydrophobicContact CD2-CE2 4.18Å; F393-F458 HydrophobicContact CD2-CG 4.11Å; F393-F458 HydrophobicContact CE1-CB 3.97Å; F393-F458 HydrophobicContact CE1-CD2 4.38Å; F393-F458 HydrophobicContact CE1-CG 4.43Å; F393-F458 HydrophobicContact CE2-CD2 4.19Å; F393-F458 HydrophobicContact CG-CB 3.75Å; F393-F458 HydrophobicContact CG-CD1 4.04Å; F393-F458 AromaticContact CG-CD2 3.81Å; F393-F458 HydrophobicContact CG-CD2 3.81Å; F393-F458 HydrophobicContact CG-CE2 4.46Å; F393-F458 AromaticContact CG-CG 3.59Å; F393-F458 HydrophobicContact CG-CG 3.59Å; F393-F458 HydrophobicContact CZ-CD2 4.42Å
394	V	92.9	Very high	94.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-100.2	-16.3	-175.4	-53.1	0	0	0	0	114.3	L391 G396 V397 V398 R451 L454 V455 W498	L391-V394 WeakPolarHBondContact O-CG2 3.48Å; L391-V394 PolarHBondContact O-N 2.71Å; V394-G396 VanDerWaalsContact C-N 3.26Å; V394-G396 PolarHBondContact O-N 3.07Å; V394-G396 VanDerWaalsContact O-N 3.1Å; V394-V397 HydrophobicContact CB-CG2 4.33Å; V394-V397 WeakPolarHBondContact O-CG2 3.21Å; V394-V397 PolarHBondContact O-N 3.21Å; V394-V398 HydrophobicContact CB-CG2 4.23Å; V394-V398 HydrophobicContact CG2-CG2 3.9Å; V394-V398 WeakPolarHBondContact O-CG2 3.5Å; V394-V398 PolarHBondContact O-N 2.9Å; V394-R451 HydrophobicContact CG2-CG 4.17Å; V394-L454 HydrophobicContact CG1-CB 3.89Å; V394-L454 HydrophobicContact CG1-CD2 3.77Å; V394-L454 HydrophobicContact CG1-CG 3.73Å; V394-V455 HydrophobicContact CB-CG2 4.22Å; V394-V455 HydrophobicContact CG1-CG2 3.64Å; V394-V455 HydrophobicContact CG2-CG2 3.48Å; V394-V455 VanDerWaalsContact CG2-CG2 3.48Å; V394-W498 HydrophobicContact CG2-CH2 3.92Å
395	E	86.7	Confident	94.2	Very high	92 Å²	92	39 Å²	39	43%	0.43	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-53	-39.4	-169.2	-171.6	171.7	-144.5	0	0	113.8	K392 V397	K392-E395 WeakPolarHBondContact CD-OE2 3.29Å; K392-E395 WeakPolarHBondContact CE-OE2 3.5Å; K392-E395 IonicContact NZ-OE1 2.91Å; K392-E395 IonicContact NZ-OE2 3.89Å; K392-E395 PolarHBondContact NZ-OE2 2.68Å; E395-V397 VanDerWaalsContact C-N 3.28Å; E395-V397 PolarHBondContact O-N 2.76Å
396	G	88.5	Confident	94	Very high	82 Å²	82	40.5 Å²	40.5	85%	0.845	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-76.1	-2.3	177.5	0	0	0	0	0	116.3	V394	V394-G396 VanDerWaalsContact C-N 3.26Å; V394-G396 PolarHBondContact O-N 3.07Å; V394-G396 VanDerWaalsContact O-N 3.1Å
397	V	92.8	Very high	93.9	Very high	35 Å²	35	45.6 Å²	45.6	21%	0.212	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-126.6	6.1	179.2	-62.2	0	0	0	0	113.6	V394 E395 V404 D408 L454	V394-V397 HydrophobicContact CB-CG2 4.33Å; V394-V397 WeakPolarHBondContact O-CG2 3.21Å; V394-V397 PolarHBondContact O-N 3.21Å; E395-V397 VanDerWaalsContact C-N 3.28Å; E395-V397 PolarHBondContact O-N 2.76Å; V397-V404 HydrophobicContact CG2-CG2 4.37Å; V397-D408 HydrophobicContact CB-CB 4.11Å; V397-D408 HydrophobicContact CG1-CB 4.38Å; V397-L454 HydrophobicContact CG2-CD2 4.16Å
398	V	93.6	Very high	93.9	Very high	36 Å²	36	47.2 Å²	47.2	22%	0.218	29%	0.286	C	S	.	.			trans	-81.7	129.8	173.2	175.2	0	0	0	0	109.9	V394 G403 V404 R451 W498	V394-V398 HydrophobicContact CB-CG2 4.23Å; V394-V398 HydrophobicContact CG2-CG2 3.9Å; V394-V398 WeakPolarHBondContact O-CG2 3.5Å; V394-V398 PolarHBondContact O-N 2.9Å; V398-G403 CarbonylContact C-O 3.56Å; V398-G403 VanDerWaalsContact CA-O 3.28Å; V398-G403 WeakPolarHBondContact CA-O 3.45Å; V398-V404 HydrophobicContact CG2-CG2 4.07Å; V398-R451 HydrophobicContact CG2-CG 3.79Å; V398-W498 HydrophobicContact CG1-CZ2 4.26Å; V398-W498 HydrophobicContact CG2-CH2 4.38Å; V398-W498 HydrophobicContact CG2-CZ2 4.02Å
399	D	92	Very high	93.9	Very high	56 Å²	56	47.4 Å²	47.4	30%	0.299	29%	0.286	S	S	.	.			trans	-81.6	166.4	176.7	67.5	49.2	0	0	0	112.4	E401 D402 G403	D399-E401 PolarHBondContact O-N 3.07Å; D399-E401 VanDerWaalsContact O-N 3.09Å; D399-E401 WeakPolarHBondContact OD1-CA 3.11Å; D399-E401 WeakPolarHBondContact OD1-CB 3.13Å; D399-E401 PolarHBondContact OD1-N 3.37Å; D399-D402 PolarHBondContact O-N 2.85Å; D399-D402 PolarHBondContact OD1-N 3.47Å; D399-G403 PolarHBondContact N-O 3.34Å; D399-G403 WeakPolarHBondContact OD1-CA 3.28Å; D399-G403 PolarHBondContact OD1-N 3.31Å; D399-G403 VanDerWaalsContact OD2-CA 3.26Å; D399-G403 WeakPolarHBondContact OD2-CA 3.27Å
400	P	91.3	Very high	93.8	Very high	137 Å²	137	50.5 Å²	50.5	89%	0.89	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-7.6	-179.6	-23.4	35.5	0	0	0	115.8	D402	P400-D402 VanDerWaalsContact C-N 3.31Å
401	E	91.6	Very high	93.8	Very high	175 Å²	175	57.2 Å²	57.2	82%	0.818	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	19.3	172.2	-59	-169.8	168.5	0	0	111.3	D399 G403	D399-E401 PolarHBondContact O-N 3.07Å; D399-E401 VanDerWaalsContact O-N 3.09Å; D399-E401 WeakPolarHBondContact OD1-CA 3.11Å; D399-E401 WeakPolarHBondContact OD1-CB 3.13Å; D399-E401 PolarHBondContact OD1-N 3.37Å; E401-G403 PolarHBondContact O-N 3.15Å
402	D	92.3	Very high	93.8	Very high	71 Å²	71	57.1 Å²	57.1	38%	0.38	33%	0.328	S	S	.	.	S	Bend	trans	61.1	18.1	-175.9	-66.5	-41.4	0	0	0	113.8	D399 P400 R451 W498	D399-D402 PolarHBondContact O-N 2.85Å; D399-D402 PolarHBondContact OD1-N 3.47Å; P400-D402 VanDerWaalsContact C-N 3.31Å; D402-R451 WeakPolarHBondContact O-CD 3.47Å; D402-R451 PolarHBondContact O-NH1 2.86Å; D402-W498 HydrophobicContact CB-CG 4.45Å; D402-W498 PolarHBondContact OD1-NE1 3.22Å
403	G	94.5	Very high	93.9	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.01	32%	0.32	C	S	.	.			trans	-91.6	170.8	-178.8	0	0	0	0	0	114.8	V398 D399 E401	V398-G403 CarbonylContact C-O 3.56Å; V398-G403 VanDerWaalsContact CA-O 3.28Å; V398-G403 WeakPolarHBondContact CA-O 3.45Å; D399-G403 PolarHBondContact N-O 3.34Å; D399-G403 WeakPolarHBondContact OD1-CA 3.28Å; D399-G403 PolarHBondContact OD1-N 3.31Å; D399-G403 VanDerWaalsContact OD2-CA 3.26Å; D399-G403 WeakPolarHBondContact OD2-CA 3.27Å; E401-G403 PolarHBondContact O-N 3.15Å
404	V	97.1	Very high	93.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	33%	0.326	C	S	.	.			trans	-127.7	133.9	161.9	167.8	0	0	0	0	108.6	V397 V398 D408 F409 P447 R450 R451 L454	V397-V404 HydrophobicContact CG2-CG2 4.37Å; V398-V404 HydrophobicContact CG2-CG2 4.07Å; V404-D408 HydrophobicContact CG1-CB 4.18Å; V404-F409 HydrophobicContact CG1-CB 4.23Å; V404-P447 PolarHBondContact N-O 3.05Å; V404-P447 VanDerWaalsContact N-O 3.07Å; V404-R450 HydrophobicContact CB-CB 4.48Å; V404-R450 VanDerWaalsContact O-CZ 3.27Å; V404-R450 PolarHBondContact O-NE 3.12Å; V404-R450 PolarHBondContact O-NH2 2.78Å; V404-R451 HydrophobicContact CB-CB 4.12Å; V404-R451 HydrophobicContact CG2-CB 3.62Å; V404-R451 HydrophobicContact CG2-CG 3.73Å; V404-L454 HydrophobicContact CG1-CD2 4.28Å
405	S	96.9	Very high	93.9	Very high	31 Å²	31	57.4 Å²	57.4	22%	0.217	34%	0.335	C	S	.	.			trans	-71.9	160.8	179.4	88.8	0	0	0	0	112.3	T407 D408 F409	S405-T407 VanDerWaalsContact C-N 3.3Å; S405-T407 PolarHBondContact O-N 2.83Å; S405-T407 PolarHBondContact OG-N 2.83Å; S405-T407 PolarHBondContact OG-OG1 3.2Å; S405-D408 VanDerWaalsContact CB-OD2 3.3Å; S405-D408 WeakPolarHBondContact CB-OD2 3.34Å; S405-D408 PolarHBondContact O-N 3.12Å; S405-D408 WeakPolarHBondContact OG-CB 3.42Å; S405-D408 PolarHBondContact OG-N 3.32Å; S405-D408 PolarHBondContact OG-OD2 3.02Å; S405-F409 WeakPolarHBondContact O-CB 3.37Å; S405-F409 PolarHBondContact O-N 3.41Å
406	G	95.6	Very high	94.2	Very high	32 Å²	32	53 Å²	53	33%	0.33	31%	0.314	S	S	.	.	H	α-helix	trans	-63.6	-37.7	175.7	0	0	0	0	0	112.4	D410	G406-D410 PolarHBondContact O-N 2.77Å
407	T	96.1	Very high	94.3	Very high	106 Å²	106	49.1 Å²	49.1	65%	0.65	27%	0.274	S	S	*	.	H	α-helix	trans	-67.6	-39	176.9	36.5	0	0	0	0	112.7	S405 Y411	S405-T407 VanDerWaalsContact C-N 3.3Å; S405-T407 PolarHBondContact O-N 2.83Å; S405-T407 PolarHBondContact OG-N 2.83Å; S405-T407 PolarHBondContact OG-OG1 3.2Å; T407-Y411 VanDerWaalsContact O-CB 3.29Å; T407-Y411 WeakPolarHBondContact O-CB 3.4Å; T407-Y411 PolarHBondContact O-N 3.12Å
408	D	96.8	Very high	94.2	Very high	62 Å²	62	49.3 Å²	49.3	33%	0.332	27%	0.274	S	S	.	.	H	α-helix	trans	-75.2	-33	179	-60.1	-48.2	0	0	0	111.7	V397 V404 S405 S412	V397-D408 HydrophobicContact CB-CB 4.11Å; V397-D408 HydrophobicContact CG1-CB 4.38Å; V404-D408 HydrophobicContact CG1-CB 4.18Å; S405-D408 VanDerWaalsContact CB-OD2 3.3Å; S405-D408 WeakPolarHBondContact CB-OD2 3.34Å; S405-D408 PolarHBondContact O-N 3.12Å; S405-D408 WeakPolarHBondContact OG-CB 3.42Å; S405-D408 PolarHBondContact OG-N 3.32Å; S405-D408 PolarHBondContact OG-OD2 3.02Å; D408-S412 WeakPolarHBondContact O-CB 3.42Å; D408-S412 PolarHBondContact O-N 3.23Å; D408-S412 PolarHBondContact O-OG 3.17Å
409	F	97.1	Very high	94	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.035	28%	0.277	C	S	.	.	H	α-helix	trans	-60.4	-53.9	168.6	179.5	-91.5	0	0	0	110.9	V404 S405 Y411 S412 V413 R450 L454	V404-F409 HydrophobicContact CG1-CB 4.23Å; S405-F409 WeakPolarHBondContact O-CB 3.37Å; S405-F409 PolarHBondContact O-N 3.41Å; F409-Y411 VanDerWaalsContact C-N 3.34Å; F409-Y411 PolarHBondContact O-N 3.17Å; F409-S412 PolarHBondContact O-N 2.97Å; F409-V413 HydrophobicContact CD1-CG2 4.28Å; F409-V413 HydrophobicContact CE1-CG2 3.97Å; F409-V413 HydrophobicContact CE2-CG2 4.32Å; F409-V413 HydrophobicContact CZ-CG2 3.99Å; F409-V413 WeakPolarHBondContact O-CG2 3.29Å; F409-V413 PolarHBondContact O-N 3.31Å; F409-R450 HydrophobicContact CD2-CB 4.3Å; F409-L454 HydrophobicContact CD2-CB 4.19Å; F409-L454 HydrophobicContact CD2-CD1 4.15Å; F409-L454 HydrophobicContact CE2-CB 4.4Å; F409-L454 HydrophobicContact CE2-CD1 4.36Å
410	D	95.4	Very high	93.8	Very high	69 Å²	69	49 Å²	49	37%	0.369	27%	0.271	S	S	.	.	H	α-helix	trans	-58.3	-44.2	178.4	-88.3	-27.4	0	0	0	112.2	G406 S414 K435	G406-D410 PolarHBondContact O-N 2.77Å; D410-S414 VanDerWaalsContact O-CB 3.32Å; D410-S414 WeakPolarHBondContact O-CB 3.5Å; D410-S414 PolarHBondContact O-N 3.31Å; D410-S414 PolarHBondContact O-OG 2.93Å; D410-K435 WeakPolarHBondContact OD1-CD 3.23Å; D410-K435 WeakPolarHBondContact OD1-CE 3.49Å; D410-K435 IonicContact OD1-NZ 3.68Å; D410-K435 PolarHBondContact OD1-NZ 3.09Å; D410-K435 VanDerWaalsContact OD1-NZ 3.09Å
411	Y	95.7	Very high	93.4	Very high	143 Å²	143	44.6 Å²	44.6	56%	0.561	24%	0.237	S	C	*	.	H	α-helix	trans	-63	-45.5	176.4	176.5	-100.2	0	0	0	111.7	T407 F409 S414 N415	T407-Y411 VanDerWaalsContact O-CB 3.29Å; T407-Y411 WeakPolarHBondContact O-CB 3.4Å; T407-Y411 PolarHBondContact O-N 3.12Å; F409-Y411 VanDerWaalsContact C-N 3.34Å; F409-Y411 PolarHBondContact O-N 3.17Å; Y411-S414 WeakPolarHBondContact O-CB 3.37Å; Y411-S414 PolarHBondContact O-N 3.42Å; Y411-N415 HydrophobicContact CE1-CB 4.44Å; Y411-N415 VanDerWaalsContact O-CB 3.22Å; Y411-N415 WeakPolarHBondContact O-CB 3.33Å; Y411-N415 PolarHBondContact O-N 2.75Å; Y411-N415 PolarHBondContact OH-ND2 2.76Å; Y411-N415 VanDerWaalsContact OH-ND2 3.13Å
412	S	96.2	Very high	92.7	Very high	9 Å²	9	37.7 Å²	37.7	6%	0.063	21%	0.212	C	C	.	.	H	α-helix	trans	-66.6	-42.5	-177.8	-60.5	0	0	0	0	112.1	D408 F409 S414 N415 F416	D408-S412 WeakPolarHBondContact O-CB 3.42Å; D408-S412 PolarHBondContact O-N 3.23Å; D408-S412 PolarHBondContact O-OG 3.17Å; F409-S412 PolarHBondContact O-N 2.97Å; S412-S414 VanDerWaalsContact C-N 3.34Å; S412-N415 PolarHBondContact O-N 3Å; S412-F416 VanDerWaalsContact O-CB 3.24Å; S412-F416 WeakPolarHBondContact O-CB 3.35Å; S412-F416 PolarHBondContact O-N 3.16Å
413	V	95.5	Very high	91.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-42.5	173.1	177.7	0	0	0	0	110.8	F409 F416 V417 I434 K435 L454 L457	F409-V413 HydrophobicContact CD1-CG2 4.28Å; F409-V413 HydrophobicContact CE1-CG2 3.97Å; F409-V413 HydrophobicContact CE2-CG2 4.32Å; F409-V413 HydrophobicContact CZ-CG2 3.99Å; F409-V413 WeakPolarHBondContact O-CG2 3.29Å; F409-V413 PolarHBondContact O-N 3.31Å; V413-F416 PolarHBondContact O-N 3.45Å; V413-V417 WeakPolarHBondContact O-CG2 3.32Å; V413-V417 PolarHBondContact O-N 3.27Å; V413-V417 VanDerWaalsContact O-N 3.1Å; V413-I434 HydrophobicContact CG1-CB 4.16Å; V413-I434 HydrophobicContact CG1-CG2 3.66Å; V413-K435 HydrophobicContact CB-CG 4.13Å; V413-K435 HydrophobicContact CG1-CG 3.71Å; V413-K435 HydrophobicContact CG2-CG 4.42Å; V413-L454 HydrophobicContact CG2-CD1 4.14Å; V413-L457 HydrophobicContact CG1-CD1 4.41Å; V413-L457 HydrophobicContact CG2-CD1 3.77Å
414	S	92.8	Very high	89.7	Confident	28 Å²	28	45.1 Å²	45.1	20%	0.196	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-53.1	177	-55.7	0	0	0	0	111.1	D410 Y411 S412 F416 V417 D418 R431	D410-S414 VanDerWaalsContact O-CB 3.32Å; D410-S414 WeakPolarHBondContact O-CB 3.5Å; D410-S414 PolarHBondContact O-N 3.31Å; D410-S414 PolarHBondContact O-OG 2.93Å; Y411-S414 WeakPolarHBondContact O-CB 3.37Å; Y411-S414 PolarHBondContact O-N 3.42Å; S412-S414 VanDerWaalsContact C-N 3.34Å; S414-F416 VanDerWaalsContact C-N 3.28Å; S414-F416 PolarHBondContact O-N 3.24Å; S414-V417 PolarHBondContact O-N 2.97Å; S414-D418 VanDerWaalsContact O-CB 3.3Å; S414-D418 WeakPolarHBondContact O-CB 3.41Å; S414-D418 PolarHBondContact O-N 3.44Å; S414-R431 WeakPolarHBondContact OG-CD 3.41Å
415	N	92.6	Very high	87.8	Confident	33 Å²	33	52 Å²	52	18%	0.176	27%	0.272	C	S	.	.	H	α-helix	trans	-59.4	-38.5	-179.6	-169.1	-60	0	0	0	111.7	R349 Y411 S412 N419	R349-N415 PolarHBondContact NH1-OD1 3.47Å; Y411-N415 HydrophobicContact CE1-CB 4.44Å; Y411-N415 VanDerWaalsContact O-CB 3.22Å; Y411-N415 WeakPolarHBondContact O-CB 3.33Å; Y411-N415 PolarHBondContact O-N 2.75Å; Y411-N415 PolarHBondContact OH-ND2 2.76Å; Y411-N415 VanDerWaalsContact OH-ND2 3.13Å; S412-N415 PolarHBondContact O-N 3Å; N415-N419 PolarHBondContact O-N 2.95Å; N415-N419 PolarHBondContact O-ND2 2.83Å; N415-N419 PolarHBondContact OD1-ND2 2.64Å
416	F	93.9	Very high	86.2	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-53.6	173.6	174.9	-94.6	0	0	0	112.4	Y350 F393 S412 V413 S414 D418 N419 L420 L457 F458 H461 W604	Y350-F416 HydrophobicContact CE2-CD2 4.27Å; F393-F416 HydrophobicContact CZ-CB 4.19Å; F393-F416 HydrophobicContact CZ-CD2 4.42Å; S412-F416 VanDerWaalsContact O-CB 3.24Å; S412-F416 WeakPolarHBondContact O-CB 3.35Å; S412-F416 PolarHBondContact O-N 3.16Å; V413-F416 PolarHBondContact O-N 3.45Å; S414-F416 VanDerWaalsContact C-N 3.28Å; S414-F416 PolarHBondContact O-N 3.24Å; F416-D418 VanDerWaalsContact C-N 3.31Å; F416-D418 PolarHBondContact O-N 3.34Å; F416-N419 PolarHBondContact O-N 2.86Å; F416-L420 HydrophobicContact CD1-CD1 4.28Å; F416-L420 HydrophobicContact CD2-CD1 3.8Å; F416-L420 HydrophobicContact CE1-CD1 3.79Å; F416-L420 HydrophobicContact CE2-CD1 3.24Å; F416-L420 HydrophobicContact CG-CD1 4.29Å; F416-L420 HydrophobicContact CZ-CD1 3.24Å; F416-L420 PolarHBondContact O-N 3.22Å; F416-L457 HydrophobicContact CD1-CD2 3.72Å; F416-L457 HydrophobicContact CD2-CD2 4Å; F416-L457 HydrophobicContact CE1-CD2 3.75Å; F416-L457 HydrophobicContact CE2-CD2 4.01Å; F416-L457 HydrophobicContact CG-CD2 3.84Å; F416-L457 HydrophobicContact CZ-CD2 3.88Å; F416-F458 AromaticContact CD2-CD2 3.72Å; F416-F458 HydrophobicContact CD2-CD2 3.72Å; F416-F458 HydrophobicContact CD2-CE2 4.03Å; F416-F458 AromaticContact CE2-CD2 3.54Å; F416-F458 HydrophobicContact CE2-CD2 3.54Å; F416-F458 AromaticContact CE2-CE2 3.88Å; F416-F458 HydrophobicContact CE2-CE2 3.88Å; F416-H461 HydrophobicContact CE2-CB 4.5Å; F416-H461 HydrophobicContact CZ-CB 3.72Å; F416-H461 AromaticContact CZ-CD2 3.83Å; F416-H461 AromaticContact CZ-CG 3.56Å; F416-H461 AromaticContact CZ-ND1 3.87Å; F416-W604 AromaticContact CE1-CH2 3.85Å; F416-W604 HydrophobicContact CE1-CH2 3.85Å; F416-W604 HydrophobicContact CE1-CZ2 4.43Å
417	V	91.6	Very high	85	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.1	-42.9	178.3	173.8	0	0	0	0	111.3	V413 S414 N419 L420 Y421 K427 L430 I434	V413-V417 WeakPolarHBondContact O-CG2 3.32Å; V413-V417 PolarHBondContact O-N 3.27Å; V413-V417 VanDerWaalsContact O-N 3.1Å; S414-V417 PolarHBondContact O-N 2.97Å; V417-N419 VanDerWaalsContact C-N 3.3Å; V417-N419 PolarHBondContact O-N 3.16Å; V417-L420 PolarHBondContact O-N 3.06Å; V417-Y421 HydrophobicContact CG1-CD2 4.48Å; V417-Y421 WeakPolarHBondContact O-CB 3.42Å; V417-Y421 PolarHBondContact O-N 2.75Å; V417-K427 HydrophobicContact CG1-CG 4.11Å; V417-L430 HydrophobicContact CG1-CD2 4.27Å; V417-L430 HydrophobicContact CG1-CG 4.49Å; V417-I434 HydrophobicContact CG2-CD1 3.39Å
418	D	89.2	Confident	84.3	Confident	39 Å²	39	51.3 Å²	51.3	21%	0.209	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-34.6	-179.8	-83.5	53.2	0	0	0	113.5	S414 F416 Y423 K427 R431	S414-D418 VanDerWaalsContact O-CB 3.3Å; S414-D418 WeakPolarHBondContact O-CB 3.41Å; S414-D418 PolarHBondContact O-N 3.44Å; F416-D418 VanDerWaalsContact C-N 3.31Å; F416-D418 PolarHBondContact O-N 3.34Å; D418-Y423 PolarHBondContact OD2-OH 2.83Å; D418-K427 WeakPolarHBondContact OD1-CE 3.21Å; D418-K427 IonicContact OD1-NZ 2.7Å; D418-K427 PolarHBondContact OD1-NZ 3.38Å; D418-K427 VanDerWaalsContact OD1-NZ 3.15Å; D418-K427 IonicContact OD2-NZ 3.73Å; D418-K427 PolarHBondContact OD2-NZ 2.96Å; D418-R431 IonicContact OD1-CZ 3.69Å; D418-R431 IonicContact OD1-NE 3.24Å; D418-R431 IonicContact OD1-NH2 3.37Å; D418-R431 PolarHBondContact OD1-NH2 2.9Å
419	N	89.4	Confident	83.9	Confident	54 Å²	54	52 Å²	52	29%	0.289	27%	0.269	S	S	.	.	H	α-helix	trans	-86.4	-31.3	-178.9	-78.6	-75.3	0	0	0	114.5	R349 Y350 N415 F416 V417	R349-N419 HydrophobicContact CB-CB 3.99Å; R349-N419 VanDerWaalsContact CB-OD1 3.27Å; R349-N419 WeakPolarHBondContact CB-OD1 3.31Å; Y350-N419 HydrophobicContact CD2-CB 3.8Å; Y350-N419 HydrophobicContact CE2-CB 3.8Å; N415-N419 PolarHBondContact O-N 2.95Å; N415-N419 PolarHBondContact O-ND2 2.83Å; N415-N419 PolarHBondContact OD1-ND2 2.64Å; F416-N419 PolarHBondContact O-N 2.86Å; V417-N419 VanDerWaalsContact C-N 3.3Å; V417-N419 PolarHBondContact O-N 3.16Å
420	L	87.4	Confident	83.5	Confident	31 Å²	31	51.8 Å²	51.8	16%	0.162	27%	0.268	C	S	.	.	H	α-helix	trans	-91.4	-41.9	-177.5	-74.6	164.2	0	0	0	112.9	Y350 F416 V417	Y350-L420 HydrophobicContact CD2-CD1 4.32Å; Y350-L420 HydrophobicContact CD2-CD2 4.3Å; Y350-L420 HydrophobicContact CD2-CG 3.95Å; F416-L420 HydrophobicContact CD1-CD1 4.28Å; F416-L420 HydrophobicContact CD2-CD1 3.8Å; F416-L420 HydrophobicContact CE1-CD1 3.79Å; F416-L420 HydrophobicContact CE2-CD1 3.24Å; F416-L420 HydrophobicContact CG-CD1 4.29Å; F416-L420 HydrophobicContact CZ-CD1 3.24Å; F416-L420 PolarHBondContact O-N 3.22Å; V417-L420 PolarHBondContact O-N 3.06Å
421	Y	83.9	Confident	83.2	Confident	45 Å²	45	49.9 Å²	49.9	18%	0.176	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-8.6	-173.4	-62.9	-90.7	0	0	0	112.8	V417 P424 L430 H461 V608 Y612	V417-Y421 HydrophobicContact CG1-CD2 4.48Å; V417-Y421 WeakPolarHBondContact O-CB 3.42Å; V417-Y421 PolarHBondContact O-N 2.75Å; Y421-P424 WeakPolarHBondContact O-CD 3.24Å; Y421-L430 HydrophobicContact CD1-CD2 3.87Å; Y421-L430 HydrophobicContact CD2-CD2 4.2Å; Y421-L430 HydrophobicContact CE1-CD2 4.29Å; Y421-L430 HydrophobicContact CG-CD2 3.81Å; Y421-H461 AromaticContact CE2-NE2 3.73Å; Y421-H461 AromaticContact CZ-NE2 3.58Å; Y421-H461 PolarHBondContact OH-CD2 2.95Å; Y421-H461 PolarHBondContact OH-NE2 3.21Å; Y421-V608 HydrophobicContact CE1-CG1 3.71Å; Y421-V608 WeakPolarHBondContact OH-CG1 3.33Å; Y421-Y612 AromaticContact CD1-CD2 3.74Å; Y421-Y612 HydrophobicContact CD1-CD2 3.74Å; Y421-Y612 HydrophobicContact CD1-CE2 4.02Å; Y421-Y612 HydrophobicContact CG-CD2 4.5Å
422	G	76.6	Confident	83.1	Confident	29 Å²	29	47.8 Å²	47.8	30%	0.299	25%	0.251	S	S	.	.			trans	73.5	-135.2	178	0	0	0	0	0	113	P424 K427	G422-P424 VanDerWaalsContact C-CD 3.47Å; G422-K427 WeakPolarHBondContact O-CE 3.42Å; G422-K427 PolarHBondContact O-NZ 2.99Å
423	Y	65.1	Low	83	Confident	197 Å²	197	48.9 Å²	48.9	77%	0.773	26%	0.258	S	S	*	.	S	Bend	trans	-124.9	70	177	-77.3	-96.2	0	0	0	112.2	D418 K427	D418-Y423 PolarHBondContact OD2-OH 2.83Å; Y423-K427 HydrophobicContact CD1-CD 4.14Å
424	P	58.8	Low	83	Confident	31 Å²	31	48.9 Å²	48.9	20%	0.201	26%	0.258	C	S	.	.			trans	-77.2	148.4	173.5	33.3	-35	0	0	0	110.9	Y421 G422 G426 K427 Y612	Y421-P424 WeakPolarHBondContact O-CD 3.24Å; G422-P424 VanDerWaalsContact C-CD 3.47Å; P424-G426 PolarHBondContact O-N 3.3Å; P424-G426 VanDerWaalsContact O-N 3.15Å; P424-K427 HydrophobicContact CG-CB 4.11Å; P424-K427 WeakPolarHBondContact O-CB 3.28Å; P424-K427 PolarHBondContact O-N 3.14Å; P424-K427 VanDerWaalsContact O-N 3.13Å; P424-Y612 HydrophobicContact CB-CD2 4.37Å; P424-Y612 HydrophobicContact CB-CE2 3.95Å; P424-Y612 HydrophobicContact CG-CD2 4.1Å; P424-Y612 HydrophobicContact CG-CE2 3.81Å
425	E	57.7	Low	83.2	Confident	146 Å²	146	48.9 Å²	48.9	68%	0.682	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	112.3	165.7	-65.9	-171.4	157.8	0	0	108.5	H615	E425-H615 IonicContact OE2-CD2 2.83Å
426	G	62.5	Low	83.4	Confident	36 Å²	36	52.9 Å²	52.9	37%	0.371	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	118.9	-7.5	-170	0	0	0	0	0	115.1	P424 D428 T429 L430	P424-G426 PolarHBondContact O-N 3.3Å; P424-G426 VanDerWaalsContact O-N 3.15Å; G426-D428 PolarHBondContact O-N 2.94Å; G426-T429 WeakPolarHBondContact O-CB 3.34Å; G426-T429 PolarHBondContact O-N 3.33Å; G426-L430 PolarHBondContact O-N 2.95Å
427	K	71.5	Confident	83.5	Confident	10 Å²	10	54.3 Å²	54.3	4%	0.043	28%	0.277	C	S	.	.	H	α-helix	trans	-45.6	-38.1	178.5	-168.4	179.7	-168	174.9	0	115.1	V417 D418 G422 Y423 P424 T429 L430 R431	V417-K427 HydrophobicContact CG1-CG 4.11Å; D418-K427 WeakPolarHBondContact OD1-CE 3.21Å; D418-K427 IonicContact OD1-NZ 2.7Å; D418-K427 PolarHBondContact OD1-NZ 3.38Å; D418-K427 VanDerWaalsContact OD1-NZ 3.15Å; D418-K427 IonicContact OD2-NZ 3.73Å; D418-K427 PolarHBondContact OD2-NZ 2.96Å; G422-K427 WeakPolarHBondContact O-CE 3.42Å; G422-K427 PolarHBondContact O-NZ 2.99Å; Y423-K427 HydrophobicContact CD1-CD 4.14Å; P424-K427 HydrophobicContact CG-CB 4.11Å; P424-K427 WeakPolarHBondContact O-CB 3.28Å; P424-K427 PolarHBondContact O-N 3.14Å; P424-K427 VanDerWaalsContact O-N 3.13Å; K427-T429 VanDerWaalsContact C-N 3.35Å; K427-L430 PolarHBondContact O-N 2.03Å; K427-R431 VanDerWaalsContact CE-NH2 3.29Å; K427-R431 WeakPolarHBondContact O-CB 3.21Å; K427-R431 PolarHBondContact O-N 3.11Å
428	D	81	Confident	83.8	Confident	108 Å²	108	54.5 Å²	54.5	58%	0.578	28%	0.278	S	S	*	.	H	α-helix	trans	-67.1	-36.3	-179.6	-61.8	-19.6	0	0	0	111.8	G426 R431 E432	G426-D428 PolarHBondContact O-N 2.94Å; D428-R431 PolarHBondContact O-N 3.29Å; D428-R431 IonicContact OD1-CZ 3.88Å; D428-R431 IonicContact OD1-NH1 2.69Å; D428-R431 PolarHBondContact OD1-NH1 2.88Å; D428-E432 WeakPolarHBondContact O-CB 3.34Å; D428-E432 WeakPolarHBondContact O-CG 3.22Å; D428-E432 PolarHBondContact O-N 2.72Å
429	T	87.3	Confident	84.2	Confident	76 Å²	76	53.9 Å²	53.9	47%	0.466	28%	0.275	S	S	.	.	H	α-helix	trans	-64.7	-44.9	174.3	-56	0	0	0	0	110.7	G426 K427 T433 L611	G426-T429 WeakPolarHBondContact O-CB 3.34Å; G426-T429 PolarHBondContact O-N 3.33Å; K427-T429 VanDerWaalsContact C-N 3.35Å; T429-T433 VanDerWaalsContact O-CB 3.32Å; T429-T433 WeakPolarHBondContact O-CB 3.45Å; T429-T433 PolarHBondContact O-N 3.3Å; T429-T433 PolarHBondContact O-OG1 3.35Å; T429-L611 HydrophobicContact CG2-CD2 4.21Å
430	L	88.9	Confident	84.4	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-62.1	-49.2	177.3	177.8	58	0	0	0	111.2	V417 Y421 G426 K427 T433 I434 V608 L611	V417-L430 HydrophobicContact CG1-CD2 4.27Å; V417-L430 HydrophobicContact CG1-CG 4.49Å; Y421-L430 HydrophobicContact CD1-CD2 3.87Å; Y421-L430 HydrophobicContact CD2-CD2 4.2Å; Y421-L430 HydrophobicContact CE1-CD2 4.29Å; Y421-L430 HydrophobicContact CG-CD2 3.81Å; G426-L430 PolarHBondContact O-N 2.95Å; K427-L430 PolarHBondContact O-N 2.03Å; L430-T433 PolarHBondContact O-N 3.06Å; L430-I434 HydrophobicContact CD1-CD1 3.75Å; L430-I434 HydrophobicContact CD1-CG1 4.18Å; L430-I434 HydrophobicContact CG-CD1 3.83Å; L430-I434 VanDerWaalsContact O-CG1 3.31Å; L430-I434 WeakPolarHBondContact O-CG1 3.45Å; L430-I434 PolarHBondContact O-N 3.38Å; L430-V608 HydrophobicContact CD1-CB 4.17Å; L430-V608 HydrophobicContact CD1-CG1 3.71Å; L430-V608 HydrophobicContact CD1-CG2 3.76Å; L430-L611 HydrophobicContact CD1-CB 4.41Å; L430-L611 HydrophobicContact CD1-CD1 4.36Å
431	R	90.8	Very high	84.8	Confident	30 Å²	30	55.8 Å²	55.8	11%	0.113	28%	0.277	C	S	.	.	H	α-helix	trans	-60.2	-50.3	-179.8	-173.9	-171.3	-65.2	111.3	-6.9	112.5	S414 D418 K427 D428 T433 I434 K435	S414-R431 WeakPolarHBondContact OG-CD 3.41Å; D418-R431 IonicContact OD1-CZ 3.69Å; D418-R431 IonicContact OD1-NE 3.24Å; D418-R431 IonicContact OD1-NH2 3.37Å; D418-R431 PolarHBondContact OD1-NH2 2.9Å; K427-R431 VanDerWaalsContact CE-NH2 3.29Å; K427-R431 WeakPolarHBondContact O-CB 3.21Å; K427-R431 PolarHBondContact O-N 3.11Å; D428-R431 PolarHBondContact O-N 3.29Å; D428-R431 IonicContact OD1-CZ 3.88Å; D428-R431 IonicContact OD1-NH1 2.69Å; D428-R431 PolarHBondContact OD1-NH1 2.88Å; R431-T433 VanDerWaalsContact C-N 3.29Å; R431-T433 PolarHBondContact O-N 3.21Å; R431-I434 PolarHBondContact O-N 3.35Å; R431-K435 WeakPolarHBondContact O-CG 3.31Å; R431-K435 PolarHBondContact O-N 3.41Å
432	E	93.2	Very high	85.3	Confident	99 Å²	99	56.8 Å²	56.8	46%	0.463	30%	0.295	S	S	.	.	H	α-helix	trans	-67.7	-31.3	179.9	-64.5	-53.5	124.7	0	0	111.7	D428 K435 F436	D428-E432 WeakPolarHBondContact O-CB 3.34Å; D428-E432 WeakPolarHBondContact O-CG 3.22Å; D428-E432 PolarHBondContact O-N 2.72Å; E432-K435 WeakPolarHBondContact OE1-CD 3.48Å; E432-K435 WeakPolarHBondContact OE1-CE 3.48Å; E432-K435 IonicContact OE1-NZ 3.09Å; E432-K435 PolarHBondContact OE1-NZ 3.41Å; E432-K435 IonicContact OE2-NZ 3.15Å; E432-F436 VanDerWaalsContact O-CB 3.29Å; E432-F436 WeakPolarHBondContact O-CB 3.44Å; E432-F436 PolarHBondContact O-N 2.81Å
433	T	94.5	Very high	86.1	Confident	32 Å²	32	58.5 Å²	58.5	20%	0.196	30%	0.297	C	S	.	.	H	α-helix	trans	-67.3	-42.2	171.7	-52.2	0	0	0	0	111.8	T429 L430 R431 F436 M437 F603 L607 L611	T429-T433 VanDerWaalsContact O-CB 3.32Å; T429-T433 WeakPolarHBondContact O-CB 3.45Å; T429-T433 PolarHBondContact O-N 3.3Å; T429-T433 PolarHBondContact O-OG1 3.35Å; L430-T433 PolarHBondContact O-N 3.06Å; R431-T433 VanDerWaalsContact C-N 3.29Å; R431-T433 PolarHBondContact O-N 3.21Å; T433-F436 PolarHBondContact O-N 3.2Å; T433-M437 HydrophobicContact CG2-CG 4.29Å; T433-M437 WeakPolarHBondContact O-CB 3.43Å; T433-M437 VanDerWaalsContact O-CG 3.28Å; T433-M437 WeakPolarHBondContact O-CG 3.49Å; T433-M437 PolarHBondContact O-N 3.04Å; T433-F603 HydrophobicContact CG2-CE2 3.82Å; T433-F603 HydrophobicContact CG2-CZ 4.41Å; T433-L607 HydrophobicContact CG2-CD2 4.26Å; T433-L611 HydrophobicContact CG2-CD1 3.88Å
434	I	95	Very high	87.4	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.7	-47.6	176.1	-67.9	162.4	0	0	0	110.2	V413 V417 L430 R431 F436 M437 Y438 L457 F603 W604	V413-I434 HydrophobicContact CG1-CB 4.16Å; V413-I434 HydrophobicContact CG1-CG2 3.66Å; V417-I434 HydrophobicContact CG2-CD1 3.39Å; L430-I434 HydrophobicContact CD1-CD1 3.75Å; L430-I434 HydrophobicContact CD1-CG1 4.18Å; L430-I434 HydrophobicContact CG-CD1 3.83Å; L430-I434 VanDerWaalsContact O-CG1 3.31Å; L430-I434 WeakPolarHBondContact O-CG1 3.45Å; L430-I434 PolarHBondContact O-N 3.38Å; R431-I434 PolarHBondContact O-N 3.35Å; I434-F436 VanDerWaalsContact C-N 3.31Å; I434-F436 PolarHBondContact O-N 3.3Å; I434-M437 PolarHBondContact O-N 3.39Å; I434-Y438 HydrophobicContact CG2-CD2 4.02Å; I434-Y438 WeakPolarHBondContact O-CD2 3.28Å; I434-Y438 PolarHBondContact O-N 2.62Å; I434-L457 HydrophobicContact CG2-CD1 3.59Å; I434-L457 HydrophobicContact CG2-CG 4.37Å; I434-F603 HydrophobicContact CB-CZ 4.47Å; I434-F603 HydrophobicContact CG1-CE1 4.02Å; I434-F603 HydrophobicContact CG1-CZ 3.68Å; I434-W604 HydrophobicContact CD1-CH2 3.7Å; I434-W604 HydrophobicContact CD1-CZ3 3.8Å; I434-W604 HydrophobicContact CG1-CH2 3.76Å; I434-W604 HydrophobicContact CG1-CZ3 4.01Å; I434-W604 HydrophobicContact CG2-CH2 4.05Å
435	K	96	Very high	89	Confident	27 Å²	27	59 Å²	59	12%	0.117	30%	0.301	C	S	.	.	H	α-helix	trans	-55.1	-47.1	173.6	-70.3	175.9	179.5	-177	0	111.7	D410 V413 R431 E432 M437 Y438 T439	D410-K435 WeakPolarHBondContact OD1-CD 3.23Å; D410-K435 WeakPolarHBondContact OD1-CE 3.49Å; D410-K435 IonicContact OD1-NZ 3.68Å; D410-K435 PolarHBondContact OD1-NZ 3.09Å; D410-K435 VanDerWaalsContact OD1-NZ 3.09Å; V413-K435 HydrophobicContact CB-CG 4.13Å; V413-K435 HydrophobicContact CG1-CG 3.71Å; V413-K435 HydrophobicContact CG2-CG 4.42Å; R431-K435 WeakPolarHBondContact O-CG 3.31Å; R431-K435 PolarHBondContact O-N 3.41Å; E432-K435 WeakPolarHBondContact OE1-CD 3.48Å; E432-K435 WeakPolarHBondContact OE1-CE 3.48Å; E432-K435 IonicContact OE1-NZ 3.09Å; E432-K435 PolarHBondContact OE1-NZ 3.41Å; E432-K435 IonicContact OE2-NZ 3.15Å; K435-M437 PolarHBondContact O-N 3.18Å; K435-Y438 CarbonylContact O-C 3.56Å; K435-Y438 PolarHBondContact O-N 2.56Å; K435-T439 WeakPolarHBondContact O-CB 3.35Å; K435-T439 PolarHBondContact O-N 2.85Å; K435-T439 PolarHBondContact O-OG1 3.04Å
436	F	96.8	Very high	90.9	Very high	117 Å²	117	54.2 Å²	54.2	51%	0.513	28%	0.28	S	S	.	.	H	α-helix	trans	-59.7	-44.8	177.8	173.8	-89.4	0	0	0	112.2	E432 T433 I434 Y438 T439 W441	E432-F436 VanDerWaalsContact O-CB 3.29Å; E432-F436 WeakPolarHBondContact O-CB 3.44Å; E432-F436 PolarHBondContact O-N 2.81Å; T433-F436 PolarHBondContact O-N 3.2Å; I434-F436 VanDerWaalsContact C-N 3.31Å; I434-F436 PolarHBondContact O-N 3.3Å; F436-Y438 PolarHBondContact O-N 2.63Å; F436-T439 PolarHBondContact O-N 2.91Å; F436-W441 HydrophobicContact CB-CZ2 4.43Å; F436-W441 AromaticContact CD2-CE2 3.7Å; F436-W441 HydrophobicContact CD2-CH2 4.47Å; F436-W441 AromaticContact CD2-CZ2 3.44Å; F436-W441 HydrophobicContact CD2-CZ2 3.44Å; F436-W441 VanDerWaalsContact CD2-CZ2 3.44Å; F436-W441 AromaticContact CD2-NE1 3.66Å; F436-W441 AromaticContact CE2-CE2 3.84Å; F436-W441 AromaticContact CE2-CZ2 3.98Å; F436-W441 HydrophobicContact CE2-CZ2 3.98Å; F436-W441 AromaticContact CE2-NE1 3.66Å; F436-W441 HydrophobicContact CG-CZ2 4.22Å; F436-W441 PolarHBondContact O-NE1 2.83Å
437	M	97.1	Very high	92.5	Very high	31 Å²	31	54.9 Å²	54.9	15%	0.153	28%	0.278	C	S	.	.	H	α-helix	trans	-70.7	-28.5	-179.2	-71.8	-61.6	-73.6	0	0	113.1	T433 I434 K435 T599 K600 F603	T433-M437 HydrophobicContact CG2-CG 4.29Å; T433-M437 WeakPolarHBondContact O-CB 3.43Å; T433-M437 VanDerWaalsContact O-CG 3.28Å; T433-M437 WeakPolarHBondContact O-CG 3.49Å; T433-M437 PolarHBondContact O-N 3.04Å; I434-M437 PolarHBondContact O-N 3.39Å; K435-M437 PolarHBondContact O-N 3.18Å; M437-T599 HydrophobicContact CE-CG2 4.42Å; M437-K600 PolarHBondContact O-NZ 3.02Å; M437-F603 HydrophobicContact CB-CE1 4.39Å; M437-F603 HydrophobicContact CB-CE2 4.41Å; M437-F603 HydrophobicContact CB-CZ 4.3Å; M437-F603 HydrophobicContact CE-CB 4.03Å; M437-F603 HydrophobicContact CE-CD2 4.05Å; M437-F603 HydrophobicContact CE-CG 4.06Å; M437-F603 HydrophobicContact CG-CD2 3.82Å; M437-F603 HydrophobicContact CG-CE2 3.71Å; M437-F603 HydrophobicContact CG-CG 4.3Å; M437-F603 HydrophobicContact CG-CZ 4.07Å
438	Y	97.4	Very high	93.6	Very high	3 Å²	3	57.9 Å²	57.9	1%	0.012	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	12	178.2	-73.2	-84.1	0	0	0	114.1	I434 K435 F436 T453 A456 L457 D460 K600 F603 W604	I434-Y438 HydrophobicContact CG2-CD2 4.02Å; I434-Y438 WeakPolarHBondContact O-CD2 3.28Å; I434-Y438 PolarHBondContact O-N 2.62Å; K435-Y438 CarbonylContact O-C 3.56Å; K435-Y438 PolarHBondContact O-N 2.56Å; F436-Y438 PolarHBondContact O-N 2.63Å; Y438-T453 WeakPolarHBondContact CD1-O 3.46Å; Y438-T453 WeakPolarHBondContact O-CB 3.2Å; Y438-T453 WeakPolarHBondContact O-CG2 3.27Å; Y438-T453 PolarHBondContact O-OG1 3.48Å; Y438-A456 HydrophobicContact CE1-CB 4.48Å; Y438-L457 HydrophobicContact CD1-CB 3.73Å; Y438-L457 HydrophobicContact CD1-CG 4.49Å; Y438-L457 HydrophobicContact CD2-CB 4.22Å; Y438-L457 HydrophobicContact CD2-CD1 3.95Å; Y438-L457 HydrophobicContact CD2-CG 4.1Å; Y438-L457 VanDerWaalsContact CE1-CA 3.44Å; Y438-L457 HydrophobicContact CE1-CB 3.89Å; Y438-L457 HydrophobicContact CE2-CB 4.36Å; Y438-L457 HydrophobicContact CE2-CG 4.21Å; Y438-L457 HydrophobicContact CG-CB 3.92Å; Y438-L457 HydrophobicContact CG-CD1 4.04Å; Y438-L457 HydrophobicContact CG-CG 4.25Å; Y438-D460 WeakPolarHBondContact CE1-OD2 3.49Å; Y438-D460 WeakPolarHBondContact OH-CB 3.36Å; Y438-D460 PolarHBondContact OH-OD2 3.16Å; Y438-K600 HydrophobicContact CE1-CD 4.14Å; Y438-F603 HydrophobicContact CE2-CD1 4.3Å; Y438-F603 HydrophobicContact CE2-CE1 4.1Å; Y438-W604 AromaticContact CE2-CZ2 3.71Å; Y438-W604 HydrophobicContact CE2-CZ2 3.71Å; Y438-W604 AromaticContact CZ-NE1 3.88Å; Y438-W604 PolarHBondContact OH-NE1 3.37Å
439	T	96.9	Very high	94.3	Very high	26 Å²	26	53.5 Å²	53.5	16%	0.16	27%	0.269	C	S	.	.	S	Bend	trans	-91.7	126.5	167.9	-63.8	0	0	0	0	109.9	K435 F436 W441 R444	K435-T439 WeakPolarHBondContact O-CB 3.35Å; K435-T439 PolarHBondContact O-N 2.85Å; K435-T439 PolarHBondContact O-OG1 3.04Å; F436-T439 PolarHBondContact O-N 2.91Å; T439-W441 HydrophobicContact CG2-CD2 3.81Å; T439-W441 HydrophobicContact CG2-CE3 4.03Å; T439-W441 HydrophobicContact CG2-CG 4.35Å; T439-W441 HydrophobicContact CG2-CH2 4.08Å; T439-W441 HydrophobicContact CG2-CZ2 3.86Å; T439-W441 HydrophobicContact CG2-CZ3 4.16Å; T439-W441 VanDerWaalsContact O-CD1 3.24Å; T439-W441 PolarHBondContact O-N 3.07Å; T439-W441 VanDerWaalsContact O-N 3.09Å; T439-R444 HydrophobicContact CG2-CB 4.46Å; T439-R444 HydrophobicContact CG2-CG 3.78Å
440	D	95.1	Very high	94.8	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.032	26%	0.256	C	S	.	.			trans	-74.1	96.6	165.6	-175.2	-13.9	0	0	0	109	A442 D443 R444 T449 I783	D440-A442 PolarHBondContact O-N 3.23Å; D440-A442 WeakPolarHBondContact OD1-CA 3.29Å; D440-A442 WeakPolarHBondContact OD1-CB 3.45Å; D440-A442 PolarHBondContact OD1-N 2.77Å; D440-D443 CarbonylContact O-C 3.54Å; D440-D443 VanDerWaalsContact O-C 3.31Å; D440-D443 PolarHBondContact O-N 2.65Å; D440-D443 VanDerWaalsContact O-N 3.1Å; D440-D443 PolarHBondContact OD1-N 3.29Å; D440-R444 WeakPolarHBondContact O-CA 3.12Å; D440-R444 PolarHBondContact O-N 3.48Å; D440-T449 HydrophobicContact CB-CG2 3.44Å; D440-T449 VanDerWaalsContact CB-CG2 3.44Å; D440-I783 HydrophobicContact CB-CG2 3.88Å; D440-I783 VanDerWaalsContact CG-CG2 3.47Å
441	W	94.8	Very high	95.2	Very high	120 Å²	120	52.3 Å²	52.3	46%	0.455	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.3	179.7	-65	102.1	0	0	0	114.4	F436 T439	F436-W441 HydrophobicContact CB-CZ2 4.43Å; F436-W441 AromaticContact CD2-CE2 3.7Å; F436-W441 HydrophobicContact CD2-CH2 4.47Å; F436-W441 AromaticContact CD2-CZ2 3.44Å; F436-W441 HydrophobicContact CD2-CZ2 3.44Å; F436-W441 VanDerWaalsContact CD2-CZ2 3.44Å; F436-W441 AromaticContact CD2-NE1 3.66Å; F436-W441 AromaticContact CE2-CE2 3.84Å; F436-W441 AromaticContact CE2-CZ2 3.98Å; F436-W441 HydrophobicContact CE2-CZ2 3.98Å; F436-W441 AromaticContact CE2-NE1 3.66Å; F436-W441 HydrophobicContact CG-CZ2 4.22Å; F436-W441 PolarHBondContact O-NE1 2.83Å; T439-W441 HydrophobicContact CG2-CD2 3.81Å; T439-W441 HydrophobicContact CG2-CE3 4.03Å; T439-W441 HydrophobicContact CG2-CG 4.35Å; T439-W441 HydrophobicContact CG2-CH2 4.08Å; T439-W441 HydrophobicContact CG2-CZ2 3.86Å; T439-W441 HydrophobicContact CG2-CZ3 4.16Å; T439-W441 VanDerWaalsContact O-CD1 3.24Å; T439-W441 PolarHBondContact O-N 3.07Å; T439-W441 VanDerWaalsContact O-N 3.09Å
442	A	94.8	Very high	95.4	Very high	66 Å²	66	52.6 Å²	52.6	55%	0.545	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-17.5	173.3	0	0	0	0	0	113	D440 P784	D440-A442 PolarHBondContact O-N 3.23Å; D440-A442 WeakPolarHBondContact OD1-CA 3.29Å; D440-A442 WeakPolarHBondContact OD1-CB 3.45Å; D440-A442 PolarHBondContact OD1-N 2.77Å; A442-P784 HydrophobicContact CB-CG 4.27Å
443	D	93.8	Very high	95.6	Very high	64 Å²	64	48.2 Å²	48.2	34%	0.342	24%	0.238	S	C	.	.	S	Bend	trans	-146.3	41.3	-176.9	-162.8	24.4	0	0	0	112.4	D440 D445 N446 T449	D440-D443 CarbonylContact O-C 3.54Å; D440-D443 VanDerWaalsContact O-C 3.31Å; D440-D443 PolarHBondContact O-N 2.65Å; D440-D443 VanDerWaalsContact O-N 3.1Å; D440-D443 PolarHBondContact OD1-N 3.29Å; D443-D445 VanDerWaalsContact C-N 3.26Å; D443-D445 PolarHBondContact O-N 3.27Å; D443-D445 VanDerWaalsContact O-N 3.09Å; D443-N446 HydrophobicContact CB-CB 4.5Å; D443-N446 VanDerWaalsContact CG-CB 3.47Å; D443-N446 WeakPolarHBondContact O-CB 3.34Å; D443-N446 PolarHBondContact O-N 2.97Å; D443-N446 VanDerWaalsContact O-N 3.1Å; D443-N446 VanDerWaalsContact OD2-CB 3.26Å; D443-N446 WeakPolarHBondContact OD2-CB 3.5Å; D443-N446 PolarHBondContact OD2-ND2 3.14Å; D443-T449 PolarHBondContact OD2-OG1 3.07Å
444	R	92.2	Very high	95.8	Very high	134 Å²	134	46.7 Å²	46.7	51%	0.506	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-38.8	-165.7	-173.6	-163.2	68.1	-158.3	-8.7	114.8	T439 D440 N446	T439-R444 HydrophobicContact CG2-CB 4.46Å; T439-R444 HydrophobicContact CG2-CG 3.78Å; D440-R444 WeakPolarHBondContact O-CA 3.12Å; D440-R444 PolarHBondContact O-N 3.48Å; R444-N446 VanDerWaalsContact C-N 3.35Å
445	D	92.6	Very high	95.9	Very high	105 Å²	105	47.3 Å²	47.3	56%	0.561	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-6.1	-170.3	-61.5	-29.3	0	0	0	112.7	D443 R450	D443-D445 VanDerWaalsContact C-N 3.26Å; D443-D445 PolarHBondContact O-N 3.27Å; D443-D445 VanDerWaalsContact O-N 3.09Å; D445-R450 PolarHBondContact O-NH1 3.03Å
446	N	96.2	Very high	96	Very high	46 Å²	46	46.4 Å²	46.4	25%	0.246	23%	0.23	C	C	.	.			trans	-73	119	-179.3	-177.4	-19.7	0	0	0	112.2	D443 R444 E448 T449 R450	D443-N446 HydrophobicContact CB-CB 4.5Å; D443-N446 VanDerWaalsContact CG-CB 3.47Å; D443-N446 WeakPolarHBondContact O-CB 3.34Å; D443-N446 PolarHBondContact O-N 2.97Å; D443-N446 VanDerWaalsContact O-N 3.1Å; D443-N446 VanDerWaalsContact OD2-CB 3.26Å; D443-N446 WeakPolarHBondContact OD2-CB 3.5Å; D443-N446 PolarHBondContact OD2-ND2 3.14Å; R444-N446 VanDerWaalsContact C-N 3.35Å; N446-E448 WeakPolarHBondContact OD1-CB 3.22Å; N446-E448 PolarHBondContact OD1-N 2.89Å; N446-T449 PolarHBondContact ND2-OG1 2.88Å; N446-T449 PolarHBondContact O-N 3.02Å; N446-T449 PolarHBondContact OD1-N 2.96Å; N446-R450 PolarHBondContact O-N 3.45Å; N446-R450 VanDerWaalsContact O-N 3.08Å
447	P	96.6	Very high	96.1	Very high	50 Å²	50	40.8 Å²	40.8	33%	0.325	21%	0.206	S	C	.	.	H	α-helix	trans	-71.8	-31.7	-177	31.7	-36.7	0	0	0	113.7	V404 T449 R450 R451	V404-P447 PolarHBondContact N-O 3.05Å; V404-P447 VanDerWaalsContact N-O 3.07Å; P447-T449 VanDerWaalsContact C-N 3.33Å; P447-R450 PolarHBondContact O-N 3.07Å; P447-R451 PolarHBondContact O-N 2.85Å; P447-R451 VanDerWaalsContact O-N 3.07Å
448	E	95.9	Very high	96.1	Very high	73 Å²	73	39.3 Å²	39.3	34%	0.341	20%	0.198	S	C	.	.	H	α-helix	trans	-64.5	-41	173	-73.2	-171.7	-130.4	0	0	110.7	N446 R451 K452	N446-E448 WeakPolarHBondContact OD1-CB 3.22Å; N446-E448 PolarHBondContact OD1-N 2.89Å; E448-R451 WeakPolarHBondContact O-CB 3.36Å; E448-R451 PolarHBondContact O-N 2.92Å; E448-K452 WeakPolarHBondContact O-CG 3.22Å; E448-K452 PolarHBondContact O-N 2.97Å
449	T	95.4	Very high	96.2	Very high	15 Å²	15	39.2 Å²	39.2	9%	0.092	20%	0.198	C	C	.	.	H	α-helix	trans	-65.9	-43.8	179	-58.7	0	0	0	0	110.5	D440 D443 N446 P447 R451 K452 T453	D440-T449 HydrophobicContact CB-CG2 3.44Å; D440-T449 VanDerWaalsContact CB-CG2 3.44Å; D443-T449 PolarHBondContact OD2-OG1 3.07Å; N446-T449 PolarHBondContact ND2-OG1 2.88Å; N446-T449 PolarHBondContact O-N 3.02Å; N446-T449 PolarHBondContact OD1-N 2.96Å; P447-T449 VanDerWaalsContact C-N 3.33Å; T449-R451 VanDerWaalsContact C-N 3.32Å; T449-R451 PolarHBondContact O-N 3.47Å; T449-K452 WeakPolarHBondContact O-CB 3.49Å; T449-K452 PolarHBondContact O-N 3.34Å; T449-T453 PolarHBondContact O-N 2.64Å; T449-T453 PolarHBondContact O-OG1 3.46Å
450	R	96.6	Very high	96.2	Very high	49 Å²	49	38.1 Å²	38.1	19%	0.185	19%	0.191	C	C	.	.	H	α-helix	trans	-57	-41.9	172.5	-73.8	-165.4	-60.3	-105.3	-4.6	112.9	V404 F409 D445 N446 P447 T453 L454	V404-R450 HydrophobicContact CB-CB 4.48Å; V404-R450 VanDerWaalsContact O-CZ 3.27Å; V404-R450 PolarHBondContact O-NE 3.12Å; V404-R450 PolarHBondContact O-NH2 2.78Å; F409-R450 HydrophobicContact CD2-CB 4.3Å; D445-R450 PolarHBondContact O-NH1 3.03Å; N446-R450 PolarHBondContact O-N 3.45Å; N446-R450 VanDerWaalsContact O-N 3.08Å; P447-R450 PolarHBondContact O-N 3.07Å; R450-T453 WeakPolarHBondContact CA-OG1 3.26Å; R450-T453 PolarHBondContact O-N 3.36Å; R450-T453 PolarHBondContact O-OG1 2.56Å; R450-L454 WeakPolarHBondContact O-CB 3.45Å; R450-L454 PolarHBondContact O-N 2.76Å
451	R	97	Very high	96.4	Very high	5 Å²	5	39.1 Å²	39.1	2%	0.019	20%	0.196	C	C	.	.	H	α-helix	trans	-60.2	-50.5	174.9	-172	-162	75.2	-137	0.1	111.4	V394 V398 D402 V404 P447 E448 T449 T453 L454 V455 W498	V394-R451 HydrophobicContact CG2-CG 4.17Å; V398-R451 HydrophobicContact CG2-CG 3.79Å; D402-R451 WeakPolarHBondContact O-CD 3.47Å; D402-R451 PolarHBondContact O-NH1 2.86Å; V404-R451 HydrophobicContact CB-CB 4.12Å; V404-R451 HydrophobicContact CG2-CB 3.62Å; V404-R451 HydrophobicContact CG2-CG 3.73Å; P447-R451 PolarHBondContact O-N 2.85Å; P447-R451 VanDerWaalsContact O-N 3.07Å; E448-R451 WeakPolarHBondContact O-CB 3.36Å; E448-R451 PolarHBondContact O-N 2.92Å; T449-R451 VanDerWaalsContact C-N 3.32Å; T449-R451 PolarHBondContact O-N 3.47Å; R451-T453 VanDerWaalsContact C-N 3.34Å; R451-T453 PolarHBondContact O-N 2.72Å; R451-L454 PolarHBondContact O-N 3.15Å; R451-L454 VanDerWaalsContact O-N 3.16Å; R451-V455 PolarHBondContact O-N 3.49Å; R451-W498 HydrophobicContact CG-CH2 4.48Å
452	K	96.4	Very high	96.5	Very high	36 Å²	36	33.4 Å²	33.4	16%	0.157	17%	0.174	C	C	.	.	H	α-helix	trans	-57.4	-45.1	177.9	-76.1	179	174.3	-176.9	0	112.2	E448 T449 L454 V455 A456 R778 P780	E448-K452 WeakPolarHBondContact O-CG 3.22Å; E448-K452 PolarHBondContact O-N 2.97Å; T449-K452 WeakPolarHBondContact O-CB 3.49Å; T449-K452 PolarHBondContact O-N 3.34Å; K452-L454 VanDerWaalsContact C-N 3.29Å; K452-L454 PolarHBondContact O-N 3.36Å; K452-V455 PolarHBondContact O-N 2.62Å; K452-A456 VanDerWaalsContact O-CB 3.28Å; K452-A456 WeakPolarHBondContact O-CB 3.03Å; K452-A456 PolarHBondContact O-N 2.78Å; K452-R778 PolarHBondContact NZ-O 3.02Å; K452-P780 HydrophobicContact CB-CG 4.4Å
453	T	97.3	Very high	96.7	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.043	15%	0.148	C	C	.	.	H	α-helix	trans	-68.6	-28.3	178.8	48.2	0	0	0	0	112.8	Y438 T449 R450 R451 L457 I783	Y438-T453 WeakPolarHBondContact CD1-O 3.46Å; Y438-T453 WeakPolarHBondContact O-CB 3.2Å; Y438-T453 WeakPolarHBondContact O-CG2 3.27Å; Y438-T453 PolarHBondContact O-OG1 3.48Å; T449-T453 PolarHBondContact O-N 2.64Å; T449-T453 PolarHBondContact O-OG1 3.46Å; R450-T453 WeakPolarHBondContact CA-OG1 3.26Å; R450-T453 PolarHBondContact O-N 3.36Å; R450-T453 PolarHBondContact O-OG1 2.56Å; R451-T453 VanDerWaalsContact C-N 3.34Å; R451-T453 PolarHBondContact O-N 2.72Å; T453-L457 WeakPolarHBondContact O-CB 3.31Å; T453-L457 PolarHBondContact O-N 3.27Å; T453-I783 HydrophobicContact CG2-CD1 3.76Å
454	L	97.3	Very high	96.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-75.8	-39	176.2	-168	65.8	0	0	0	112.3	F393 V394 V397 V404 F409 V413 R450 R451 K452 A456 L457 F458	F393-L454 HydrophobicContact CD1-CG 4.14Å; F393-L454 WeakPolarHBondContact CD1-O 3.4Å; F393-L454 HydrophobicContact CE1-CD1 3.6Å; F393-L454 HydrophobicContact CE1-CD2 4.46Å; F393-L454 HydrophobicContact CE1-CG 3.67Å; F393-L454 HydrophobicContact CZ-CD1 4.22Å; V394-L454 HydrophobicContact CG1-CB 3.89Å; V394-L454 HydrophobicContact CG1-CD2 3.77Å; V394-L454 HydrophobicContact CG1-CG 3.73Å; V397-L454 HydrophobicContact CG2-CD2 4.16Å; V404-L454 HydrophobicContact CG1-CD2 4.28Å; F409-L454 HydrophobicContact CD2-CB 4.19Å; F409-L454 HydrophobicContact CD2-CD1 4.15Å; F409-L454 HydrophobicContact CE2-CB 4.4Å; F409-L454 HydrophobicContact CE2-CD1 4.36Å; V413-L454 HydrophobicContact CG2-CD1 4.14Å; R450-L454 WeakPolarHBondContact O-CB 3.45Å; R450-L454 PolarHBondContact O-N 2.76Å; R451-L454 PolarHBondContact O-N 3.15Å; R451-L454 VanDerWaalsContact O-N 3.16Å; K452-L454 VanDerWaalsContact C-N 3.29Å; K452-L454 PolarHBondContact O-N 3.36Å; L454-A456 VanDerWaalsContact C-N 3.33Å; L454-L457 PolarHBondContact O-N 3.24Å; L454-F458 PolarHBondContact O-N 2.77Å
455	V	97.8	Very high	97.2	Very high	13 Å²	13	22.7 Å²	22.7	8%	0.079	12%	0.116	C	C	.	.	H	α-helix	trans	-59.7	-46.4	167	173.2	0	0	0	0	110.2	V394 R451 K452 L457 F458 T459	V394-V455 HydrophobicContact CB-CG2 4.22Å; V394-V455 HydrophobicContact CG1-CG2 3.64Å; V394-V455 HydrophobicContact CG2-CG2 3.48Å; V394-V455 VanDerWaalsContact CG2-CG2 3.48Å; R451-V455 PolarHBondContact O-N 3.49Å; K452-V455 PolarHBondContact O-N 2.62Å; V455-L457 PolarHBondContact O-N 3.25Å; V455-F458 PolarHBondContact O-N 2.88Å; V455-T459 VanDerWaalsContact O-CB 3.32Å; V455-T459 WeakPolarHBondContact O-CB 3.21Å; V455-T459 PolarHBondContact O-N 3.48Å; V455-T459 PolarHBondContact O-OG1 2.6Å
456	A	98.1	Very high	97.5	Very high	8 Å²	8	17.8 Å²	17.8	7%	0.066	9%	0.09	C	C	.	.	H	α-helix	trans	-60.7	-42.5	179.4	0	0	0	0	0	112.4	Y438 K452 L454 F458 T459 D460 P780	Y438-A456 HydrophobicContact CE1-CB 4.48Å; K452-A456 VanDerWaalsContact O-CB 3.28Å; K452-A456 WeakPolarHBondContact O-CB 3.03Å; K452-A456 PolarHBondContact O-N 2.78Å; L454-A456 VanDerWaalsContact C-N 3.33Å; A456-F458 VanDerWaalsContact C-N 3.33Å; A456-F458 PolarHBondContact O-N 3.47Å; A456-T459 PolarHBondContact O-N 3.27Å; A456-D460 WeakPolarHBondContact O-CB 3.5Å; A456-D460 PolarHBondContact O-N 3.27Å; A456-P780 HydrophobicContact CB-CB 4.36Å
457	L	98.3	Very high	97.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-54.6	-48.3	176.7	178.9	160.5	0	0	0	112.2	F393 V413 F416 I434 Y438 T453 L454 V455 H461 W604	F393-L457 HydrophobicContact CE1-CD2 4.42Å; V413-L457 HydrophobicContact CG1-CD1 4.41Å; V413-L457 HydrophobicContact CG2-CD1 3.77Å; F416-L457 HydrophobicContact CD1-CD2 3.72Å; F416-L457 HydrophobicContact CD2-CD2 4Å; F416-L457 HydrophobicContact CE1-CD2 3.75Å; F416-L457 HydrophobicContact CE2-CD2 4.01Å; F416-L457 HydrophobicContact CG-CD2 3.84Å; F416-L457 HydrophobicContact CZ-CD2 3.88Å; I434-L457 HydrophobicContact CG2-CD1 3.59Å; I434-L457 HydrophobicContact CG2-CG 4.37Å; Y438-L457 HydrophobicContact CD1-CB 3.73Å; Y438-L457 HydrophobicContact CD1-CG 4.49Å; Y438-L457 HydrophobicContact CD2-CB 4.22Å; Y438-L457 HydrophobicContact CD2-CD1 3.95Å; Y438-L457 HydrophobicContact CD2-CG 4.1Å; Y438-L457 VanDerWaalsContact CE1-CA 3.44Å; Y438-L457 HydrophobicContact CE1-CB 3.89Å; Y438-L457 HydrophobicContact CE2-CB 4.36Å; Y438-L457 HydrophobicContact CE2-CG 4.21Å; Y438-L457 HydrophobicContact CG-CB 3.92Å; Y438-L457 HydrophobicContact CG-CD1 4.04Å; Y438-L457 HydrophobicContact CG-CG 4.25Å; T453-L457 WeakPolarHBondContact O-CB 3.31Å; T453-L457 PolarHBondContact O-N 3.27Å; L454-L457 PolarHBondContact O-N 3.24Å; V455-L457 PolarHBondContact O-N 3.25Å; L457-H461 PolarHBondContact O-N 3.12Å; L457-W604 HydrophobicContact CG-CZ2 4.31Å
458	F	97.9	Very high	97.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-73.7	-39.6	-178.5	-162.1	-107.8	0	0	0	112	V117 W301 Y350 F393 F416 L454 V455 A456 D460 Q462 W463	V117-F458 HydrophobicContact CB-CE1 4.18Å; V117-F458 HydrophobicContact CB-CZ 4.31Å; V117-F458 HydrophobicContact CG2-CZ 4.5Å; W301-F458 HydrophobicContact CH2-CE1 4.12Å; W301-F458 HydrophobicContact CH2-CZ 4.24Å; W301-F458 HydrophobicContact CZ3-CE1 4.2Å; W301-F458 AromaticContact CZ3-CZ 3.9Å; W301-F458 HydrophobicContact CZ3-CZ 3.9Å; Y350-F458 AromaticContact CD1-CE2 3.53Å; Y350-F458 HydrophobicContact CD1-CE2 3.53Å; Y350-F458 AromaticContact CD1-CZ 3.51Å; Y350-F458 HydrophobicContact CD1-CZ 3.51Å; Y350-F458 HydrophobicContact CE1-CD2 4.38Å; Y350-F458 AromaticContact CE1-CE2 3.23Å; Y350-F458 HydrophobicContact CE1-CE2 3.23Å; Y350-F458 AromaticContact CE1-CZ 3.42Å; Y350-F458 HydrophobicContact CE1-CZ 3.42Å; Y350-F458 VanDerWaalsContact CE1-CZ 3.42Å; Y350-F458 HydrophobicContact CG-CE2 4.28Å; Y350-F458 AromaticContact CZ-CE2 3.79Å; F393-F458 HydrophobicContact CB-CB 3.94Å; F393-F458 HydrophobicContact CB-CD1 3.56Å; F393-F458 HydrophobicContact CB-CD2 4.24Å; F393-F458 HydrophobicContact CB-CE1 4.12Å; F393-F458 HydrophobicContact CB-CG 3.64Å; F393-F458 HydrophobicContact CD1-CB 3.41Å; F393-F458 VanDerWaalsContact CD1-CB 3.41Å; F393-F458 HydrophobicContact CD1-CD2 4.11Å; F393-F458 AromaticContact CD1-CG 3.8Å; F393-F458 HydrophobicContact CD1-CG 3.8Å; F393-F458 AromaticContact CD2-CD2 3.85Å; F393-F458 HydrophobicContact CD2-CD2 3.85Å; F393-F458 HydrophobicContact CD2-CE2 4.18Å; F393-F458 HydrophobicContact CD2-CG 4.11Å; F393-F458 HydrophobicContact CE1-CB 3.97Å; F393-F458 HydrophobicContact CE1-CD2 4.38Å; F393-F458 HydrophobicContact CE1-CG 4.43Å; F393-F458 HydrophobicContact CE2-CD2 4.19Å; F393-F458 HydrophobicContact CG-CB 3.75Å; F393-F458 HydrophobicContact CG-CD1 4.04Å; F393-F458 AromaticContact CG-CD2 3.81Å; F393-F458 HydrophobicContact CG-CD2 3.81Å; F393-F458 HydrophobicContact CG-CE2 4.46Å; F393-F458 AromaticContact CG-CG 3.59Å; F393-F458 HydrophobicContact CG-CG 3.59Å; F393-F458 HydrophobicContact CZ-CD2 4.42Å; F416-F458 AromaticContact CD2-CD2 3.72Å; F416-F458 HydrophobicContact CD2-CD2 3.72Å; F416-F458 HydrophobicContact CD2-CE2 4.03Å; F416-F458 AromaticContact CE2-CD2 3.54Å; F416-F458 HydrophobicContact CE2-CD2 3.54Å; F416-F458 AromaticContact CE2-CE2 3.88Å; F416-F458 HydrophobicContact CE2-CE2 3.88Å; L454-F458 PolarHBondContact O-N 2.77Å; V455-F458 PolarHBondContact O-N 2.88Å; A456-F458 VanDerWaalsContact C-N 3.33Å; A456-F458 PolarHBondContact O-N 3.47Å; F458-D460 VanDerWaalsContact C-N 3.34Å; F458-D460 PolarHBondContact O-N 2.94Å; F458-Q462 HydrophobicContact CD1-CG 4.28Å; F458-Q462 HydrophobicContact CD2-CG 4.04Å; F458-Q462 HydrophobicContact CE1-CG 4Å; F458-Q462 HydrophobicContact CE2-CG 3.71Å; F458-Q462 HydrophobicContact CG-CG 4.3Å; F458-Q462 HydrophobicContact CZ-CG 3.7Å; F458-Q462 WeakPolarHBondContact O-CB 3.47Å; F458-Q462 WeakPolarHBondContact O-CG 3.49Å; F458-Q462 PolarHBondContact O-N 2.78Å; F458-W463 HydrophobicContact CD1-CH2 4.21Å; F458-W463 AromaticContact CD1-CZ3 3.67Å; F458-W463 HydrophobicContact CD1-CZ3 3.67Å; F458-W463 AromaticContact CE1-CH2 3.98Å; F458-W463 HydrophobicContact CE1-CH2 3.98Å; F458-W463 AromaticContact CE1-CZ3 3.82Å; F458-W463 HydrophobicContact CE1-CZ3 3.82Å
459	T	98.5	Very high	97.7	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.006	5%	0.05	C	C	.	.	H	α-helix	trans	-57.3	-47.9	172.4	-57.8	0	0	0	0	111	E389 G390 V455 A456 W463 V464	E389-T459 HydrophobicContact CB-CG2 3.93Å; E389-T459 HydrophobicContact CG-CG2 3.85Å; E389-T459 PolarHBondContact N-OG1 2.7Å; G390-T459 PolarHBondContact N-OG1 3.35Å; V455-T459 VanDerWaalsContact O-CB 3.32Å; V455-T459 WeakPolarHBondContact O-CB 3.21Å; V455-T459 PolarHBondContact O-N 3.48Å; V455-T459 PolarHBondContact O-OG1 2.6Å; A456-T459 PolarHBondContact O-N 3.27Å; T459-W463 PolarHBondContact O-N 2.88Å; T459-W463 VanDerWaalsContact O-N 3.12Å; T459-V464 HydrophobicContact CG2-CG2 3.86Å; T459-V464 PolarHBondContact O-N 3.05Å
460	D	98.5	Very high	97.8	Very high	2 Å²	2	9.6 Å²	9.6	1%	0.011	5%	0.046	C	C	.	.	I	π-helix	trans	-64.3	-45.9	-175.1	-74	-23.2	0	0	0	112.1	Y438 A456 F458 V464 E465 R597 K600	Y438-D460 WeakPolarHBondContact CE1-OD2 3.49Å; Y438-D460 WeakPolarHBondContact OH-CB 3.36Å; Y438-D460 PolarHBondContact OH-OD2 3.16Å; A456-D460 WeakPolarHBondContact O-CB 3.5Å; A456-D460 PolarHBondContact O-N 3.27Å; F458-D460 VanDerWaalsContact C-N 3.34Å; F458-D460 PolarHBondContact O-N 2.94Å; D460-V464 PolarHBondContact O-N 3.35Å; D460-E465 WeakPolarHBondContact O-CB 2.97Å; D460-E465 PolarHBondContact O-N 3.11Å; D460-R597 VanDerWaalsContact CG-NH2 3.31Å; D460-R597 IonicContact OD1-CZ 3.76Å; D460-R597 VanDerWaalsContact OD1-CZ 3.31Å; D460-R597 IonicContact OD1-NE 3.87Å; D460-R597 PolarHBondContact OD1-NE 3.29Å; D460-R597 IonicContact OD1-NH2 2.81Å; D460-R597 PolarHBondContact OD1-NH2 3.28Å; D460-R597 VanDerWaalsContact OD1-NH2 3.09Å; D460-R597 IonicContact OD2-CZ 3.75Å; D460-R597 IonicContact OD2-NE 2.75Å; D460-R597 IonicContact OD2-NH2 3.73Å; D460-R597 PolarHBondContact OD2-NH2 3.1Å; D460-K600 HydrophobicContact CB-CB 4.48Å; D460-K600 WeakPolarHBondContact OD2-CB 3.45Å; D460-K600 WeakPolarHBondContact OD2-CG 3.47Å
461	H	97.9	Very high	97.9	Very high	28 Å²	28	7.3 Å²	7.3	13%	0.13	4%	0.037	C	C	.	.	I	π-helix	trans	-77.1	-43.3	-177.5	-173	-79.7	0	0	0	113.3	F416 Y421 L457 P466 W604	F416-H461 HydrophobicContact CE2-CB 4.5Å; F416-H461 HydrophobicContact CZ-CB 3.72Å; F416-H461 AromaticContact CZ-CD2 3.83Å; F416-H461 AromaticContact CZ-CG 3.56Å; F416-H461 AromaticContact CZ-ND1 3.87Å; Y421-H461 AromaticContact CE2-NE2 3.73Å; Y421-H461 AromaticContact CZ-NE2 3.58Å; Y421-H461 PolarHBondContact OH-CD2 2.95Å; Y421-H461 PolarHBondContact OH-NE2 3.21Å; L457-H461 PolarHBondContact O-N 3.12Å; H461-P466 VanDerWaalsContact O-CD 3.27Å; H461-P466 WeakPolarHBondContact O-CD 3.38Å; H461-P466 WeakPolarHBondContact O-CG 3.02Å; H461-W604 HydrophobicContact CB-CD2 4.44Å; H461-W604 HydrophobicContact CB-CZ2 4.17Å; H461-W604 AromaticContact CD2-CD2 3.8Å; H461-W604 AromaticContact CD2-CE3 3.54Å; H461-W604 AromaticContact CD2-CH2 3.96Å; H461-W604 AromaticContact CD2-CZ3 3.63Å
462	Q	97.4	Very high	97.9	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.04	C	C	.	.	I	π-helix	trans	-83.6	-25.5	-171.9	-62.7	-58.1	110.8	0	0	113.5	S299 S300 W301 F458	S299-Q462 PolarHBondContact OG-O 2.65Å; S300-Q462 PolarHBondContact OG-NE2 3.16Å; W301-Q462 HydrophobicContact CH2-CB 3.58Å; W301-Q462 HydrophobicContact CH2-CG 3.74Å; W301-Q462 HydrophobicContact CZ2-CB 3.68Å; W301-Q462 HydrophobicContact CZ2-CG 4.28Å; W301-Q462 HydrophobicContact CZ3-CB 4.29Å; W301-Q462 HydrophobicContact CZ3-CG 3.98Å; F458-Q462 HydrophobicContact CD1-CG 4.28Å; F458-Q462 HydrophobicContact CD2-CG 4.04Å; F458-Q462 HydrophobicContact CE1-CG 4Å; F458-Q462 HydrophobicContact CE2-CG 3.71Å; F458-Q462 HydrophobicContact CG-CG 4.3Å; F458-Q462 HydrophobicContact CZ-CG 3.7Å; F458-Q462 WeakPolarHBondContact O-CB 3.47Å; F458-Q462 WeakPolarHBondContact O-CG 3.49Å; F458-Q462 PolarHBondContact O-N 2.78Å
463	W	98.4	Very high	97.9	Very high	2 Å²	2	6.2 Å²	6.2	1%	0.008	3%	0.034	C	C	.	.	I	π-helix	trans	-128.5	-52.4	-174.7	-67.6	-86.8	0	0	0	114.4	S294 W301 V385 E389 F458 T459 S467 H503	S294-W463 VanDerWaalsContact C-CD1 3.48Å; S294-W463 PolarHBondContact O-NE1 3Å; S294-W463 VanDerWaalsContact O-NE1 3.12Å; W301-W463 HydrophobicContact CH2-CE3 4.45Å; W301-W463 AromaticContact CH2-CH2 3.53Å; W301-W463 HydrophobicContact CH2-CH2 3.53Å; W301-W463 AromaticContact CH2-CZ2 3.58Å; W301-W463 HydrophobicContact CH2-CZ2 3.58Å; W301-W463 AromaticContact CH2-CZ3 3.97Å; W301-W463 HydrophobicContact CH2-CZ3 3.97Å; W301-W463 HydrophobicContact CZ2-CD2 4.18Å; W301-W463 AromaticContact CZ2-CE2 3.66Å; W301-W463 HydrophobicContact CZ2-CE3 4.49Å; W301-W463 AromaticContact CZ2-CH2 3.99Å; W301-W463 HydrophobicContact CZ2-CH2 3.99Å; W301-W463 AromaticContact CZ2-CZ2 3.57Å; W301-W463 HydrophobicContact CZ2-CZ2 3.57Å; W301-W463 HydrophobicContact CZ2-CZ3 4.41Å; V385-W463 HydrophobicContact CG1-CB 4.06Å; E389-W463 HydrophobicContact CB-CD2 3.44Å; E389-W463 VanDerWaalsContact CB-CD2 3.44Å; E389-W463 HydrophobicContact CB-CE3 3.31Å; E389-W463 HydrophobicContact CB-CG 4.04Å; E389-W463 HydrophobicContact CB-CH2 3.88Å; E389-W463 HydrophobicContact CB-CZ2 4.02Å; E389-W463 HydrophobicContact CB-CZ3 3.55Å; E389-W463 HydrophobicContact CG-CB 3.95Å; E389-W463 HydrophobicContact CG-CD2 3.72Å; E389-W463 HydrophobicContact CG-CE3 4Å; E389-W463 HydrophobicContact CG-CG 3.74Å; F458-W463 HydrophobicContact CD1-CH2 4.21Å; F458-W463 AromaticContact CD1-CZ3 3.67Å; F458-W463 HydrophobicContact CD1-CZ3 3.67Å; F458-W463 AromaticContact CE1-CH2 3.98Å; F458-W463 HydrophobicContact CE1-CH2 3.98Å; F458-W463 AromaticContact CE1-CZ3 3.82Å; F458-W463 HydrophobicContact CE1-CZ3 3.82Å; T459-W463 PolarHBondContact O-N 2.88Å; T459-W463 VanDerWaalsContact O-N 3.12Å; W463-S467 WeakPolarHBondContact O-CB 3.48Å; W463-S467 PolarHBondContact O-N 2.93Å; W463-S467 PolarHBondContact O-OG 3.43Å; W463-H503 AromaticContact CE2-ND1 3.82Å; W463-H503 HydrophobicContact CZ2-CB 4.29Å; W463-H503 AromaticContact CZ2-CG 3.86Å; W463-H503 AromaticContact CZ2-ND1 3.87Å; W463-H503 AromaticContact NE1-CE1 3.46Å; W463-H503 PolarHBondContact NE1-CE1 3.32Å; W463-H503 AromaticContact NE1-ND1 3.48Å; W463-H503 PolarHBondContact NE1-ND1 2.95Å
464	V	98.7	Very high	97.9	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.032	C	C	.	.	I	π-helix	trans	-67.4	-53.1	-169.3	-173.6	0	0	0	0	111.6	V385 T459 D460 S467 V468 Y596 V601	V385-V464 HydrophobicContact CG2-CG2 4.21Å; T459-V464 HydrophobicContact CG2-CG2 3.86Å; T459-V464 PolarHBondContact O-N 3.05Å; D460-V464 PolarHBondContact O-N 3.35Å; V464-S467 PolarHBondContact O-N 3.49Å; V464-V468 HydrophobicContact CG1-CG2 4.34Å; V464-V468 WeakPolarHBondContact O-CG2 3.4Å; V464-V468 PolarHBondContact O-N 3.46Å; V464-Y596 HydrophobicContact CG1-CD1 3.68Å; V464-Y596 HydrophobicContact CG1-CE1 3.66Å; V464-Y596 HydrophobicContact CG2-CE1 4.18Å; V464-V601 HydrophobicContact CG1-CG2 3.97Å
465	E	98.3	Very high	97.9	Very high	36 Å²	36	6.4 Å²	6.4	17%	0.168	4%	0.035	C	C	.	.	H	α-helix	trans	-64.2	-47.9	-178.6	-173.5	-87.9	-179.3	0	0	112.2	D460 S467 V468 V469 V601 W604 K605	D460-E465 WeakPolarHBondContact O-CB 2.97Å; D460-E465 PolarHBondContact O-N 3.11Å; E465-S467 VanDerWaalsContact C-N 3.27Å; E465-S467 PolarHBondContact O-N 2.95Å; E465-V468 PolarHBondContact O-N 2.93Å; E465-V468 VanDerWaalsContact O-N 3.11Å; E465-V469 HydrophobicContact CG-CG2 4.3Å; E465-V469 WeakPolarHBondContact O-CG2 3.36Å; E465-V469 PolarHBondContact O-N 3.14Å; E465-V469 VanDerWaalsContact OE1-CG2 3.31Å; E465-V469 WeakPolarHBondContact OE1-CG2 3.5Å; E465-V601 HydrophobicContact CG-CG1 4.12Å; E465-W604 HydrophobicContact CB-CB 4.18Å; E465-W604 HydrophobicContact CG-CB 3.84Å; E465-K605 HydrophobicContact CG-CB 4.2Å; E465-K605 WeakPolarHBondContact OE1-CA 3.29Å; E465-K605 WeakPolarHBondContact OE1-CB 3.31Å
466	P	98.3	Very high	97.6	Very high	3 Å²	3	11.9 Å²	11.9	2%	0.019	6%	0.055	C	C	.	.	H	α-helix	trans	-55.1	-40.8	174	-32.1	38.9	0	0	0	113.4	L298 H461 T470	L298-P466 HydrophobicContact CB-CB 4.14Å; H461-P466 VanDerWaalsContact O-CD 3.27Å; H461-P466 WeakPolarHBondContact O-CD 3.38Å; H461-P466 WeakPolarHBondContact O-CG 3.02Å; P466-T470 WeakPolarHBondContact O-CB 3.48Å; P466-T470 PolarHBondContact O-N 3.3Å; P466-T470 PolarHBondContact O-OG1 2.84Å
467	S	98.3	Very high	96.9	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.007	7%	0.074	C	C	.	.	H	α-helix	trans	-69.7	-39.7	178.7	-57.3	0	0	0	0	112.3	L383 V385 W463 V464 E465 T470 A471	L383-S467 WeakPolarHBondContact CD1-O 3.42Å; V385-S467 WeakPolarHBondContact CG1-OG 3.22Å; W463-S467 WeakPolarHBondContact O-CB 3.48Å; W463-S467 PolarHBondContact O-N 2.93Å; W463-S467 PolarHBondContact O-OG 3.43Å; V464-S467 PolarHBondContact O-N 3.49Å; E465-S467 VanDerWaalsContact C-N 3.27Å; E465-S467 PolarHBondContact O-N 2.95Å; S467-T470 PolarHBondContact O-N 3.34Å; S467-A471 WeakPolarHBondContact O-CB 3.43Å; S467-A471 PolarHBondContact O-N 3.36Å
468	V	98.3	Very high	96.4	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.018	11%	0.105	C	C	.	.	H	α-helix	trans	-72.6	-35.4	177.8	175.2	0	0	0	0	111.4	V464 E465 A471 D472 F483 V601	V464-V468 HydrophobicContact CG1-CG2 4.34Å; V464-V468 WeakPolarHBondContact O-CG2 3.4Å; V464-V468 PolarHBondContact O-N 3.46Å; E465-V468 PolarHBondContact O-N 2.93Å; E465-V468 VanDerWaalsContact O-N 3.11Å; V468-A471 PolarHBondContact O-N 3.11Å; V468-D472 WeakPolarHBondContact O-CB 3.16Å; V468-D472 PolarHBondContact O-N 3.28Å; V468-F483 HydrophobicContact CG2-CE1 4.48Å; V468-F483 HydrophobicContact CG2-CE2 4.02Å; V468-F483 HydrophobicContact CG2-CZ 3.75Å; V468-V601 HydrophobicContact CB-CG1 4.01Å; V468-V601 HydrophobicContact CB-CG2 4.39Å; V468-V601 HydrophobicContact CG1-CG1 3.77Å; V468-V601 HydrophobicContact CG2-CG2 4.23Å
469	V	97.6	Very high	96.2	Very high	6 Å²	6	21.1 Å²	21.1	4%	0.036	11%	0.112	C	C	.	.	H	α-helix	trans	-62.8	-46.8	171.3	174.8	0	0	0	0	110.9	L298 E465 A471 D472 L473 K605	L298-V469 HydrophobicContact CD1-CB 3.98Å; L298-V469 HydrophobicContact CD1-CG1 3.57Å; E465-V469 HydrophobicContact CG-CG2 4.3Å; E465-V469 WeakPolarHBondContact O-CG2 3.36Å; E465-V469 PolarHBondContact O-N 3.14Å; E465-V469 VanDerWaalsContact OE1-CG2 3.31Å; E465-V469 WeakPolarHBondContact OE1-CG2 3.5Å; V469-A471 VanDerWaalsContact C-N 3.32Å; V469-A471 PolarHBondContact O-N 3.37Å; V469-D472 PolarHBondContact O-N 2.83Å; V469-L473 HydrophobicContact CG1-CD1 3.77Å; V469-L473 HydrophobicContact CG1-CG 4.33Å; V469-L473 WeakPolarHBondContact O-CB 3.43Å; V469-L473 WeakPolarHBondContact O-CG 3.39Å; V469-L473 PolarHBondContact O-N 3.43Å; V469-K605 HydrophobicContact CG2-CD 3.82Å; V469-K605 HydrophobicContact CG2-CG 4.09Å
470	T	97.9	Very high	96.2	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.012	12%	0.122	C	C	.	.	H	α-helix	trans	-56.7	-45.7	174.5	-53.3	0	0	0	0	111.1	S296 M371 F376 L383 P466 S467 H474	S296-T470 PolarHBondContact OG-OG1 3.44Å; M371-T470 HydrophobicContact CE-CG2 3.96Å; M371-T470 HydrophobicContact SD-CG2 4.05Å; F376-T470 HydrophobicContact CE2-CG2 4.16Å; L383-T470 HydrophobicContact CD1-CG2 3.92Å; P466-T470 WeakPolarHBondContact O-CB 3.48Å; P466-T470 PolarHBondContact O-N 3.3Å; P466-T470 PolarHBondContact O-OG1 2.84Å; S467-T470 PolarHBondContact O-N 3.34Å; T470-H474 WeakPolarHBondContact O-CB 3.48Å; T470-H474 PolarHBondContact O-N 3.17Å
471	A	98	Very high	96.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65	-43.7	178.7	0	0	0	0	0	112.9	L383 S467 V468 V469 A475 T481 F483 Y576	L383-A471 HydrophobicContact CD1-CB 4.09Å; L383-A471 HydrophobicContact CD2-CB 3.95Å; L383-A471 HydrophobicContact CG-CB 4.38Å; S467-A471 WeakPolarHBondContact O-CB 3.43Å; S467-A471 PolarHBondContact O-N 3.36Å; V468-A471 PolarHBondContact O-N 3.11Å; V469-A471 VanDerWaalsContact C-N 3.32Å; V469-A471 PolarHBondContact O-N 3.37Å; A471-A475 WeakPolarHBondContact O-CB 3.31Å; A471-A475 PolarHBondContact O-N 2.78Å; A471-T481 HydrophobicContact CB-CG2 4.18Å; A471-F483 HydrophobicContact CB-CD2 3.78Å; A471-F483 HydrophobicContact CB-CE2 4.15Å; A471-Y576 HydrophobicContact CB-CD1 3.92Å; A471-Y576 HydrophobicContact CB-CE1 3.59Å; A471-Y576 HydrophobicContact CB-CE2 4.48Å
472	D	97.1	Very high	96.2	Very high	14 Å²	14	21.5 Å²	21.5	8%	0.075	12%	0.116	C	C	.	.	H	α-helix	trans	-61.4	-47.3	177	-88.3	-20.5	0	0	0	110.9	V468 V469 R476 Y576 P578 Q581 K605	V468-D472 WeakPolarHBondContact O-CB 3.16Å; V468-D472 PolarHBondContact O-N 3.28Å; V469-D472 PolarHBondContact O-N 2.83Å; D472-R476 VanDerWaalsContact O-CB 3.26Å; D472-R476 WeakPolarHBondContact O-CB 3.37Å; D472-R476 PolarHBondContact O-N 3.45Å; D472-Y576 PolarHBondContact OD1-OH 3.5Å; D472-P578 WeakPolarHBondContact O-CG 3.28Å; D472-Q581 PolarHBondContact OD1-NE2 3.08Å; D472-K605 IonicContact OD2-NZ 3.77Å; D472-K605 PolarHBondContact OD2-NZ 2.92Å
473	L	96.4	Very high	96.3	Very high	5 Å²	5	21.6 Å²	21.6	3%	0.026	12%	0.116	C	C	.	.	H	α-helix	trans	-66.8	-45	-178.2	-71	172.6	0	0	0	111.4	M371 E372 F376 V469 R476 Y477	M371-L473 HydrophobicContact CB-CB 4.27Å; M371-L473 HydrophobicContact CB-CD1 3.58Å; M371-L473 HydrophobicContact SD-CD1 4.28Å; E372-L473 HydrophobicContact CG-CD2 4.13Å; F376-L473 HydrophobicContact CE1-CB 4.44Å; F376-L473 HydrophobicContact CZ-CB 3.86Å; V469-L473 HydrophobicContact CG1-CD1 3.77Å; V469-L473 HydrophobicContact CG1-CG 4.33Å; V469-L473 WeakPolarHBondContact O-CB 3.43Å; V469-L473 WeakPolarHBondContact O-CG 3.39Å; V469-L473 PolarHBondContact O-N 3.43Å; L473-R476 WeakPolarHBondContact O-CB 3.31Å; L473-R476 PolarHBondContact O-N 2.96Å; L473-Y477 WeakPolarHBondContact O-CD2 3.37Å
474	H	97.3	Very high	96.3	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-64.6	-47	177.6	-171.1	-105.8	0	0	0	112	F376 Y379 I381 T470 R476 S479 T481	F376-H474 HydrophobicContact CE1-CB 4.39Å; F376-H474 HydrophobicContact CE2-CB 3.85Å; F376-H474 HydrophobicContact CZ-CB 3.74Å; F376-H474 PolarHBondContact O-NE2 3.42Å; Y379-H474 PolarHBondContact O-CE1 3.11Å; Y379-H474 PolarHBondContact O-NE2 2.93Å; Y379-H474 VanDerWaalsContact O-NE2 3.11Å; I381-H474 VanDerWaalsContact CD1-CD2 3.46Å; I381-H474 WeakPolarHBondContact CD1-CD2 3.34Å; I381-H474 VanDerWaalsContact CG1-CE1 3.5Å; I381-H474 WeakPolarHBondContact CG1-CE1 3.31Å; T470-H474 WeakPolarHBondContact O-CB 3.48Å; T470-H474 PolarHBondContact O-N 3.17Å; H474-R476 VanDerWaalsContact C-N 3.32Å; H474-R476 PolarHBondContact O-N 2.71Å; H474-S479 WeakPolarHBondContact CE1-CB 3.41Å; H474-S479 WeakPolarHBondContact NE2-CB 3.44Å; H474-T481 PolarHBondContact ND1-OG1 2.99Å
475	A	96.5	Very high	96.3	Very high	9 Å²	9	21.5 Å²	21.5	7%	0.074	12%	0.116	C	C	.	.	H	α-helix	trans	-73.4	-20.2	-178	0	0	0	0	0	113.9	A471 Y477 G478 T481 Y576 P578	A471-A475 WeakPolarHBondContact O-CB 3.31Å; A471-A475 PolarHBondContact O-N 2.78Å; A475-Y477 PolarHBondContact O-N 2.92Å; A475-G478 PolarHBondContact O-N 3.22Å; A475-G478 VanDerWaalsContact O-N 3.1Å; A475-T481 WeakPolarHBondContact CB-OG1 3.39Å; A475-T481 PolarHBondContact N-OG1 2.94Å; A475-Y576 HydrophobicContact CB-CD1 3.94Å; A475-Y576 HydrophobicContact CB-CE1 4.43Å; A475-P578 HydrophobicContact CB-CG 4.17Å
476	R	92.2	Very high	96.3	Very high	128 Å²	128	19.8 Å²	19.8	48%	0.483	11%	0.108	S	C	.	.	H	α-helix	trans	-55.3	-35.7	-179.5	-179.1	-179.8	-65.2	174.9	2.3	112.9	D472 L473 H474 P578	D472-R476 VanDerWaalsContact O-CB 3.26Å; D472-R476 WeakPolarHBondContact O-CB 3.37Å; D472-R476 PolarHBondContact O-N 3.45Å; L473-R476 WeakPolarHBondContact O-CB 3.31Å; L473-R476 PolarHBondContact O-N 2.96Å; H474-R476 VanDerWaalsContact C-N 3.32Å; H474-R476 PolarHBondContact O-N 2.71Å; R476-P578 HydrophobicContact CB-CG 4.44Å
477	Y	82.6	Confident	96.3	Very high	120 Å²	120	21.2 Å²	21.2	47%	0.471	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	6.4	-176.7	-58.8	-83.4	0	0	0	113.4	E372 L377 L473 A475	E372-Y477 PolarHBondContact O-OH 3.22Å; L377-Y477 HydrophobicContact CD1-CD1 4.2Å; L377-Y477 HydrophobicContact CD1-CD2 3.55Å; L377-Y477 HydrophobicContact CD1-CE2 4.2Å; L377-Y477 HydrophobicContact CD1-CG 3.5Å; L377-Y477 VanDerWaalsContact CD1-CG 3.5Å; L377-Y477 HydrophobicContact CD2-CD2 3.72Å; L377-Y477 HydrophobicContact CD2-CG 4.17Å; L377-Y477 HydrophobicContact CG-CD2 4.21Å; L377-Y477 HydrophobicContact CG-CG 4.47Å; L473-Y477 WeakPolarHBondContact O-CD2 3.37Å; A475-Y477 PolarHBondContact O-N 2.92Å
478	G	87.6	Confident	96.2	Very high	64 Å²	64	22.4 Å²	22.4	66%	0.66	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.7	0.6	174.7	0	0	0	0	0	115.6	A475	A475-G478 PolarHBondContact O-N 3.22Å; A475-G478 VanDerWaalsContact O-N 3.1Å
479	S	94.9	Very high	96.1	Very high	19 Å²	19	24.5 Å²	24.5	13%	0.133	13%	0.128	C	C	.	.			trans	-62.7	143	176	-57.3	0	0	0	0	111.3	L377 H474 T481	L377-S479 PolarHBondContact O-OG 3.02Å; H474-S479 WeakPolarHBondContact CE1-CB 3.41Å; H474-S479 WeakPolarHBondContact NE2-CB 3.44Å; S479-T481 PolarHBondContact O-N 3.47Å; S479-T481 VanDerWaalsContact O-N 3.07Å; S479-T481 PolarHBondContact O-OG1 3.41Å
480	P	97.4	Very high	95.7	Very high	34 Å²	34	24.6 Å²	24.6	22%	0.221	13%	0.129	C	C	.	.			trans	-67.6	109.7	-174.4	-25.7	39.6	0	0	0	112.7	D380 I381	D380-P480 HydrophobicContact CB-CB 4.5Å; D380-P480 WeakPolarHBondContact OD1-CB 3.35Å; D380-P480 WeakPolarHBondContact OD1-CG 3.23Å; I381-P480 PolarHBondContact N-O 3.47Å
481	T	98.6	Very high	94.9	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	137.9	178.1	-50.8	0	0	0	0	111	I381 L383 A471 H474 A475 S479 Y576	I381-T481 CarbonylContact O-C 3.54Å; I381-T481 VanDerWaalsContact O-CA 3.28Å; I381-T481 WeakPolarHBondContact O-CA 3.42Å; L383-T481 HydrophobicContact CD2-CG2 3.64Å; A471-T481 HydrophobicContact CB-CG2 4.18Å; H474-T481 PolarHBondContact ND1-OG1 2.99Å; A475-T481 WeakPolarHBondContact CB-OG1 3.39Å; A475-T481 PolarHBondContact N-OG1 2.94Å; S479-T481 PolarHBondContact O-N 3.47Å; S479-T481 VanDerWaalsContact O-N 3.07Å; S479-T481 PolarHBondContact O-OG1 3.41Å; T481-Y576 HydrophobicContact CG2-CD1 4.02Å; T481-Y576 HydrophobicContact CG2-CG 4.28Å; T481-Y576 PolarHBondContact O-N 2.69Å
482	Y	98.8	Very high	94.2	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.016	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	117.4	173.5	-68.8	-92.2	0	0	0	110.5	I381 M382 L383 F544 G548 D549 P550 W573 K575	I381-Y482 PolarHBondContact O-N 3.08Å; M382-Y482 CarbonylContact C-O 3.55Å; M382-Y482 WeakPolarHBondContact CA-O 3.42Å; L383-Y482 PolarHBondContact N-O 3.03Å; Y482-F544 HydrophobicContact CD2-CD2 4.36Å; Y482-F544 HydrophobicContact CD2-CE2 4.03Å; Y482-F544 HydrophobicContact CE2-CE2 4.39Å; Y482-G548 VanDerWaalsContact CE2-O 3.32Å; Y482-G548 WeakPolarHBondContact CE2-O 3.32Å; Y482-D549 PolarHBondContact OH-OD1 3.44Å; Y482-D549 VanDerWaalsContact OH-OD1 3.08Å; Y482-P550 HydrophobicContact CD1-CG 3.54Å; Y482-P550 HydrophobicContact CD2-CG 4.45Å; Y482-P550 HydrophobicContact CE1-CG 3.63Å; Y482-P550 HydrophobicContact CG-CG 3.96Å; Y482-W573 AromaticContact CD1-CD1 3.92Å; Y482-W573 HydrophobicContact CD1-CD2 4.49Å; Y482-W573 HydrophobicContact CD1-CG 4.17Å; Y482-K575 HydrophobicContact CD1-CG 4.42Å; Y482-K575 HydrophobicContact CE1-CB 4.5Å; Y482-K575 HydrophobicContact CE1-CG 3.69Å; Y482-K575 HydrophobicContact CE2-CG 4.13Å; Y482-K575 WeakPolarHBondContact OH-CE 3.42Å
483	F	98.9	Very high	93.4	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	139.8	179.9	-156.4	-87.5	0	0	0	111.8	L383 V385 V468 A471 W573 Y576 Y583 L584 Y596	L383-F483 HydrophobicContact CD2-CD2 3.96Å; L383-F483 HydrophobicContact CG-CD2 3.86Å; L383-F483 HydrophobicContact CG-CE2 4.08Å; L383-F483 CarbonylContact O-C 3.6Å; L383-F483 VanDerWaalsContact O-CA 3.25Å; L383-F483 WeakPolarHBondContact O-CA 3.49Å; V385-F483 HydrophobicContact CG2-CE1 4.5Å; V385-F483 HydrophobicContact CG2-CZ 4.48Å; V468-F483 HydrophobicContact CG2-CE1 4.48Å; V468-F483 HydrophobicContact CG2-CE2 4.02Å; V468-F483 HydrophobicContact CG2-CZ 3.75Å; A471-F483 HydrophobicContact CB-CD2 3.78Å; A471-F483 HydrophobicContact CB-CE2 4.15Å; F483-W573 PolarHBondContact O-NE1 3.24Å; F483-Y576 HydrophobicContact CB-CD2 3.52Å; F483-Y576 HydrophobicContact CB-CE2 4.19Å; F483-Y576 HydrophobicContact CB-CG 4.06Å; F483-Y576 HydrophobicContact CG-CD2 4.2Å; F483-Y576 HydrophobicContact CG-CE2 4.41Å; F483-Y583 HydrophobicContact CD1-CG 4.44Å; F483-Y583 CarbonylContact O-C 3.41Å; F483-Y583 VanDerWaalsContact O-CA 3.25Å; F483-Y583 WeakPolarHBondContact O-CA 3.46Å; F483-Y583 WeakPolarHBondContact O-CB 3.33Å; F483-L584 PolarHBondContact O-N 2.88Å; F483-Y596 HydrophobicContact CE1-CD1 4.07Å
484	Y	98.9	Very high	92.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	159.2	168.6	73.6	-94.1	0	0	0	112.7	Q293 M382 L383 G384 V385 F486 W541 W573 L584 I586	Q293-Y484 WeakPolarHBondContact CA-OH 3.39Å; Q293-Y484 VanDerWaalsContact CB-OH 3.31Å; Q293-Y484 WeakPolarHBondContact CB-OH 3.23Å; Q293-Y484 WeakPolarHBondContact CG-OH 3.31Å; M382-Y484 HydrophobicContact CG-CD1 4.48Å; L383-Y484 VanDerWaalsContact O-CD1 3.31Å; L383-Y484 WeakPolarHBondContact O-CD1 3.27Å; L383-Y484 PolarHBondContact O-N 2.81Å; G384-Y484 WeakPolarHBondContact CA-O 3.3Å; V385-Y484 PolarHBondContact N-O 3Å; Y484-F486 HydrophobicContact CD2-CB 4.25Å; Y484-F486 HydrophobicContact CE2-CB 4.1Å; Y484-W541 AromaticContact CD1-CH2 3.99Å; Y484-W541 HydrophobicContact CD1-CH2 3.99Å; Y484-W541 HydrophobicContact CD1-CZ2 4.5Å; Y484-W541 AromaticContact CE1-CH2 3.81Å; Y484-W541 HydrophobicContact CE1-CH2 3.81Å; Y484-W541 AromaticContact CE1-CZ2 3.9Å; Y484-W541 HydrophobicContact CE1-CZ2 3.9Å; Y484-W541 HydrophobicContact CG-CH2 4.45Å; Y484-W573 AromaticContact CD1-CH2 3.92Å; Y484-W573 HydrophobicContact CD1-CH2 3.92Å; Y484-W573 HydrophobicContact CD1-CZ2 4.17Å; Y484-W573 HydrophobicContact CG-CH2 4.28Å; Y484-W573 HydrophobicContact CG-CZ2 4.4Å; Y484-L584 WeakPolarHBondContact CA-O 3.49Å; Y484-I586 HydrophobicContact CD2-CD1 4Å; Y484-I586 HydrophobicContact CG-CD1 3.86Å
485	A	98.8	Very high	92	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.8	161.1	0	0	0	0	0	109.8	V385 Y487 Y583 L584 I586 Y596	V385-A485 CarbonylContact O-C 3.51Å; V385-A485 VanDerWaalsContact O-CA 3.28Å; V385-A485 WeakPolarHBondContact O-CA 3.4Å; A485-Y487 HydrophobicContact CB-CD2 4.06Å; A485-Y487 HydrophobicContact CB-CE2 3.68Å; A485-Y583 HydrophobicContact CB-CD2 3.83Å; A485-Y583 HydrophobicContact CB-CE2 3.72Å; A485-L584 PolarHBondContact N-O 2.9Å; A485-I586 PolarHBondContact O-N 2.93Å; A485-Y596 HydrophobicContact CB-CD2 4.08Å; A485-Y596 HydrophobicContact CB-CE1 4.18Å; A485-Y596 HydrophobicContact CB-CE2 3.66Å
486	F	98.8	Very high	91.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	117.5	-172.2	-154.7	-101	0	0	0	111	V385 N386 Q387 Y484 H488 A501 E506 Y509 L533 V537 I586	V385-F486 PolarHBondContact O-N 2.9Å; N386-F486 HydrophobicContact CB-CB 4.5Å; N386-F486 WeakPolarHBondContact OD1-CB 3.12Å; Q387-F486 PolarHBondContact N-O 3.43Å; Y484-F486 HydrophobicContact CD2-CB 4.25Å; Y484-F486 HydrophobicContact CE2-CB 4.1Å; F486-H488 WeakPolarHBondContact CD1-O 3.5Å; F486-H488 WeakPolarHBondContact CE1-O 3.48Å; F486-A501 HydrophobicContact CD1-CB 4.37Å; F486-A501 WeakPolarHBondContact O-CB 3.26Å; F486-E506 HydrophobicContact CD1-CB 3.89Å; F486-E506 HydrophobicContact CD2-CB 4.07Å; F486-E506 HydrophobicContact CE1-CB 3.88Å; F486-E506 HydrophobicContact CE2-CB 4.07Å; F486-E506 HydrophobicContact CG-CB 3.99Å; F486-E506 HydrophobicContact CZ-CB 3.99Å; F486-Y509 AromaticContact CE1-CD2 3.95Å; F486-Y509 HydrophobicContact CE1-CD2 3.95Å; F486-Y509 HydrophobicContact CE1-CE2 4.16Å; F486-Y509 AromaticContact CZ-CD2 3.65Å; F486-Y509 HydrophobicContact CZ-CD2 3.65Å; F486-Y509 HydrophobicContact CZ-CE2 4.22Å; F486-Y509 AromaticContact CZ-CG 3.9Å; F486-Y509 HydrophobicContact CZ-CG 3.9Å; F486-L533 HydrophobicContact CZ-CD2 4.22Å; F486-V537 HydrophobicContact CE2-CG2 4.02Å; F486-I586 HydrophobicContact CD2-CB 3.82Å; F486-I586 HydrophobicContact CD2-CD1 4.38Å; F486-I586 HydrophobicContact CD2-CG2 3.54Å; F486-I586 HydrophobicContact CE2-CB 4.31Å; F486-I586 HydrophobicContact CE2-CG2 3.51Å
487	Y	97.8	Very high	91.5	Very high	34 Å²	34	46.2 Å²	46.2	13%	0.133	26%	0.264	C	S	.	.			trans	-123.2	36.7	-168.3	-86.5	-108.3	0	0	0	111.2	Q387 A485 H585 I586 Y596 D781	Q387-Y487 HydrophobicContact CB-CD1 4.18Å; Q387-Y487 HydrophobicContact CB-CD2 4.21Å; Q387-Y487 HydrophobicContact CB-CE1 4.14Å; Q387-Y487 HydrophobicContact CB-CE2 4.13Å; Q387-Y487 HydrophobicContact CB-CG 4.21Å; Q387-Y487 VanDerWaalsContact CD-CD1 3.43Å; Q387-Y487 VanDerWaalsContact CD-CE1 3.45Å; Q387-Y487 HydrophobicContact CG-CD1 3.87Å; Q387-Y487 HydrophobicContact CG-CE1 3.54Å; Q387-Y487 HydrophobicContact CG-CE2 4.32Å; Q387-Y487 HydrophobicContact CG-CG 4.41Å; A485-Y487 HydrophobicContact CB-CD2 4.06Å; A485-Y487 HydrophobicContact CB-CE2 3.68Å; Y487-H585 VanDerWaalsContact CB-CE1 3.47Å; Y487-H585 WeakPolarHBondContact CB-CE1 3.34Å; Y487-H585 AromaticContact CD1-NE2 3.62Å; Y487-H585 AromaticContact CG-CD2 3.87Å; Y487-H585 AromaticContact CG-CE1 3.89Å; Y487-H585 AromaticContact CG-NE2 3.55Å; Y487-I586 PolarHBondContact N-O 3.42Å; Y487-Y596 AromaticContact CE2-CE2 3.91Å; Y487-Y596 HydrophobicContact CE2-CE2 3.91Å; Y487-Y596 VanDerWaalsContact OH-CE2 3.29Å; Y487-Y596 WeakPolarHBondContact OH-CE2 3.07Å; Y487-Y596 PolarHBondContact OH-OH 2.99Å; Y487-D781 WeakPolarHBondContact CE1-OD2 3.48Å; Y487-D781 VanDerWaalsContact OH-CG 3.29Å; Y487-D781 PolarHBondContact OH-OD1 3.1Å; Y487-D781 PolarHBondContact OH-OD2 3.09Å
488	H	96.7	Very high	91.9	Very high	25 Å²	25	41.9 Å²	41.9	12%	0.116	25%	0.247	C	C	.	.			trans	-151.6	149.2	179.5	-174.2	78.5	0	0	0	110.4	F486 A501 Y509 D530 L533 L588	F486-H488 WeakPolarHBondContact CD1-O 3.5Å; F486-H488 WeakPolarHBondContact CE1-O 3.48Å; H488-A501 WeakPolarHBondContact O-CB 3.29Å; H488-Y509 AromaticContact CD2-CE1 3.85Å; H488-Y509 AromaticContact CD2-CZ 3.63Å; H488-Y509 PolarHBondContact CD2-OH 3.42Å; H488-Y509 VanDerWaalsContact CD2-OH 3.3Å; H488-Y509 PolarHBondContact NE2-OH 3Å; H488-D530 IonicContact CD2-OD1 3.09Å; H488-D530 IonicContact CE1-OD1 3.31Å; H488-D530 IonicContact NE2-OD1 3.78Å; H488-D530 PolarHBondContact NE2-OD1 3.19Å; H488-L533 HydrophobicContact CB-CD2 3.66Å; H488-L533 WeakPolarHBondContact CD2-CD2 3.44Å; H488-L588 WeakPolarHBondContact ND1-CG 3.42Å
489	H	94.6	Very high	92.2	Very high	48 Å²	48	39.1 Å²	39.1	22%	0.222	22%	0.217	C	C	.	.			trans	-153.6	165	170.2	66.2	91.7	0	0	0	109.5	S499 A501 D505	H489-S499 PolarHBondContact NE2-O 3.07Å; H489-S499 VanDerWaalsContact NE2-O 3.15Å; H489-A501 HydrophobicContact CB-CB 4.41Å; H489-D505 HydrophobicContact CB-CB 4.07Å; H489-D505 VanDerWaalsContact CB-OD2 3.22Å; H489-D505 WeakPolarHBondContact CB-OD2 3.46Å; H489-D505 IonicContact CG-OD2 3.56Å
490	C	91	Very high	92.2	Very high	8 Å²	8	40.8 Å²	40.8	5%	0.054	23%	0.225	C	C	.	.			trans	-81.1	156.1	178	51.3	0	0	0	0	110.7	Y509 C524 F526	C490-Y509 WeakPolarHBondContact CA-OH 3.09Å; C490-Y509 WeakPolarHBondContact CB-OH 3.49Å; C490-Y509 PolarHBondContact N-OH 3.24Å; C490-C524 HydrophobicContact CB-CB 3.54Å; C490-C524 WeakPolarHBondContact CB-SG 3.07Å; C490-C524 WeakPolarHBondContact SG-CB 3.48Å; C490-C524 CovalentContact SG-SG 2.03Å; C490-C524 PolarHBondContact SG-SG 3.27Å; C490-F526 HydrophobicContact CB-CD1 3.73Å; C490-F526 HydrophobicContact CB-CE1 3.62Å
491	Q	80.4	Confident	92.1	Very high	139 Å²	139	39.2 Å²	39.2	65%	0.65	22%	0.215	S	C	*	.	B	Isolated β-bridge	trans	-77.7	125.5	173.2	-69.2	-175.3	-8.6	0	0	109.8	N525	Q491-N525 PolarHBondContact O-N 3.07Å; Q491-N525 VanDerWaalsContact O-N 3.09Å
492	S	82.4	Confident	92	Very high	31 Å²	31	39.2 Å²	39.2	22%	0.217	22%	0.215	C	C	.	.			trans	-135.2	141.5	175	175.4	0	0	0	0	109.1	M494 K495	S492-M494 PolarHBondContact O-N 3.38Å; S492-M494 WeakPolarHBondContact OG-CB 3.5Å; S492-M494 PolarHBondContact OG-N 2.99Å; S492-M494 VanDerWaalsContact OG-N 3.11Å; S492-K495 PolarHBondContact O-N 3.32Å
493	L	80.8	Confident	91.9	Very high	187 Å²	187	39.2 Å²	39.2	98%	0.979	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-13.2	172	-65.6	174.2	0	0	0	112.5
494	M	79.4	Confident	91.8	Very high	87 Å²	87	39.2 Å²	39.2	43%	0.429	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-0.7	-178.3	-44.1	-176.3	87.7	0	0	112.8	A125 N126 S492 P523	A125-M494 HydrophobicContact CB-CB 4.02Å; A125-M494 HydrophobicContact CB-CE 3.89Å; A125-M494 HydrophobicContact CB-SD 3.91Å; A125-M494 WeakPolarHBondContact O-CE 3.34Å; N126-M494 PolarHBondContact OD1-SD 3.29Å; S492-M494 PolarHBondContact O-N 3.38Å; S492-M494 WeakPolarHBondContact OG-CB 3.5Å; S492-M494 PolarHBondContact OG-N 2.99Å; S492-M494 VanDerWaalsContact OG-N 3.11Å; M494-P523 HydrophobicContact SD-CG 4.17Å
495	K	85.9	Confident	91.7	Very high	22 Å²	22	39.8 Å²	39.8	10%	0.096	22%	0.218	C	C	.	.	S	Bend	trans	-118.4	138.5	173.8	-72.5	-167	71.7	-160.2	0	109.8	V121 S492 S499 D500 D505	V121-K495 HydrophobicContact CG1-CD 4.03Å; V121-K495 HydrophobicContact CG1-CG 3.83Å; S492-K495 PolarHBondContact O-N 3.32Å; K495-S499 WeakPolarHBondContact CE-OG 3.23Å; K495-D500 PolarHBondContact NZ-O 2.77Å; K495-D505 IonicContact NZ-OD1 2.62Å; K495-D505 IonicContact NZ-OD2 3.72Å; K495-D505 PolarHBondContact NZ-OD2 3.49Å
496	P	89.8	Confident	91.7	Very high	42 Å²	42	39.8 Å²	39.8	27%	0.273	22%	0.218	S	C	.	.			trans	-58.7	140.5	174.3	-23.3	33.3	0	0	0	111.9	W498 S499	P496-W498 HydrophobicContact CB-CD2 3.92Å; P496-W498 VanDerWaalsContact CB-CE2 3.4Å; P496-W498 HydrophobicContact CB-CG 4.13Å; P496-W498 HydrophobicContact CB-CZ2 3.82Å; P496-W498 VanDerWaalsContact CB-NE1 3.29Å; P496-W498 HydrophobicContact CG-CZ2 3.88Å; P496-W498 PolarHBondContact O-N 3.11Å; P496-S499 WeakPolarHBondContact O-CB 3.28Å; P496-S499 PolarHBondContact O-N 3.16Å; P496-S499 PolarHBondContact O-OG 2.82Å
497	A	88.5	Confident	91.6	Very high	105 Å²	105	39.8 Å²	39.8	87%	0.868	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-11.7	-175.2	0	0	0	0	0	114.5
498	W	90.5	Very high	91.6	Very high	28 Å²	28	38.4 Å²	38.4	11%	0.106	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-10	174.3	58.6	-104.7	0	0	0	114.5	L391 V394 V398 D402 R451 P496	L391-W498 HydrophobicContact CD1-CH2 3.41Å; L391-W498 VanDerWaalsContact CD1-CH2 3.41Å; L391-W498 HydrophobicContact CD1-CZ2 4.38Å; L391-W498 HydrophobicContact CD1-CZ3 3.51Å; V394-W498 HydrophobicContact CG2-CH2 3.92Å; V398-W498 HydrophobicContact CG1-CZ2 4.26Å; V398-W498 HydrophobicContact CG2-CH2 4.38Å; V398-W498 HydrophobicContact CG2-CZ2 4.02Å; D402-W498 HydrophobicContact CB-CG 4.45Å; D402-W498 PolarHBondContact OD1-NE1 3.22Å; R451-W498 HydrophobicContact CG-CH2 4.48Å; P496-W498 HydrophobicContact CB-CD2 3.92Å; P496-W498 VanDerWaalsContact CB-CE2 3.4Å; P496-W498 HydrophobicContact CB-CG 4.13Å; P496-W498 HydrophobicContact CB-CZ2 3.82Å; P496-W498 VanDerWaalsContact CB-NE1 3.29Å; P496-W498 HydrophobicContact CG-CZ2 3.88Å; P496-W498 PolarHBondContact O-N 3.11Å
499	S	92.6	Very high	91.7	Very high	6 Å²	6	37.2 Å²	37.2	4%	0.042	21%	0.207	C	C	.	.			trans	-68.2	142.3	-176.7	62.6	0	0	0	0	110.9	H489 K495 P496	H489-S499 PolarHBondContact NE2-O 3.07Å; H489-S499 VanDerWaalsContact NE2-O 3.15Å; K495-S499 WeakPolarHBondContact CE-OG 3.23Å; P496-S499 WeakPolarHBondContact O-CB 3.28Å; P496-S499 PolarHBondContact O-N 3.16Å; P496-S499 PolarHBondContact O-OG 2.82Å
500	D	95	Very high	91.9	Very high	55 Å²	55	34.9 Å²	34.9	29%	0.294	20%	0.197	S	C	.	.			trans	-85.9	-171.3	168.6	-64.9	-61.2	0	0	0	109.7	Q387 K495 A502	Q387-D500 HydrophobicContact CB-CB 4.24Å; Q387-D500 VanDerWaalsContact CD-CG 3.48Å; Q387-D500 HydrophobicContact CG-CB 4Å; Q387-D500 PolarHBondContact NE2-OD1 3.2Å; Q387-D500 PolarHBondContact NE2-OD2 3.39Å; K495-D500 PolarHBondContact NZ-O 2.77Å; D500-A502 PolarHBondContact O-N 2.95Å; D500-A502 VanDerWaalsContact O-N 3.16Å
501	A	96.6	Very high	92.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	20%	0.195	C	C	.	.	S	Bend	trans	-61.5	115.5	172.7	0	0	0	0	0	110.5	N386 Q387 G388 F486 H488 H489 D505	N386-A501 HydrophobicContact CB-CB 4.26Å; Q387-A501 HydrophobicContact CB-CB 4.46Å; Q387-A501 PolarHBondContact N-O 3.49Å; G388-A501 CarbonylContact C-O 3.54Å; G388-A501 WeakPolarHBondContact CA-O 3.37Å; G388-A501 PolarHBondContact N-O 3.45Å; F486-A501 HydrophobicContact CD1-CB 4.37Å; F486-A501 WeakPolarHBondContact O-CB 3.26Å; H488-A501 WeakPolarHBondContact O-CB 3.29Å; H489-A501 HydrophobicContact CB-CB 4.41Å; A501-D505 WeakPolarHBondContact CA-OD2 3.22Å
502	A	96.3	Very high	93	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.164	C	C	.	.			trans	-105.5	-177.1	-172.3	0	0	0	0	0	111.8	V121 N386 G388 L391 D500 G504 D505	V121-A502 HydrophobicContact CG2-CB 3.74Å; N386-A502 PolarHBondContact ND2-O 2.74Å; G388-A502 WeakPolarHBondContact O-CA 3.45Å; L391-A502 HydrophobicContact CB-CB 3.8Å; L391-A502 HydrophobicContact CD2-CB 3.71Å; L391-A502 HydrophobicContact CG-CB 4.41Å; D500-A502 PolarHBondContact O-N 2.95Å; D500-A502 VanDerWaalsContact O-N 3.16Å; A502-G504 PolarHBondContact O-N 3.26Å; A502-D505 PolarHBondContact N-OD2 3.09Å; A502-D505 WeakPolarHBondContact O-CB 3.37Å; A502-D505 PolarHBondContact O-N 3.22Å; A502-D505 VanDerWaalsContact O-N 3.14Å
503	H	97.3	Very high	93.6	Very high	5 Å²	5	27.3 Å²	27.3	2%	0.023	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	123.3	-172.8	-164.6	49.2	0	0	0	113.4	M118 P120 V121 G268 S294 E389 W463	M118-H503 PolarHBondContact O-CD2 3.14Å; P120-H503 WeakPolarHBondContact CA-O 3.36Å; V121-H503 PolarHBondContact N-O 3.49Å; G268-H503 VanDerWaalsContact CA-CE1 3.5Å; G268-H503 WeakPolarHBondContact CA-CE1 3.22Å; G268-H503 WeakPolarHBondContact CA-NE2 3.49Å; S294-H503 PolarHBondContact O-CE1 3.09Å; E389-H503 VanDerWaalsContact OE2-CA 3.23Å; E389-H503 WeakPolarHBondContact OE2-CA 3.31Å; E389-H503 IonicContact OE2-CE1 2.69Å; E389-H503 IonicContact OE2-CG 3.7Å; E389-H503 IonicContact OE2-ND1 2.74Å; E389-H503 PolarHBondContact OE2-ND1 3.33Å; W463-H503 AromaticContact CE2-ND1 3.82Å; W463-H503 HydrophobicContact CZ2-CB 4.29Å; W463-H503 AromaticContact CZ2-CG 3.86Å; W463-H503 AromaticContact CZ2-ND1 3.87Å; W463-H503 AromaticContact NE1-CE1 3.46Å; W463-H503 PolarHBondContact NE1-CE1 3.32Å; W463-H503 AromaticContact NE1-ND1 3.48Å; W463-H503 PolarHBondContact NE1-ND1 2.95Å
504	G	95.6	Very high	94.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	8	-179	0	0	0	0	0	116.4	W122 A502 E506 V507	W122-G504 VanDerWaalsContact CD1-O 3.25Å; W122-G504 PolarHBondContact NE1-O 2.91Å; W122-G504 VanDerWaalsContact NE1-O 3.11Å; A502-G504 PolarHBondContact O-N 3.26Å; G504-E506 WeakPolarHBondContact CA-OE2 3.4Å; G504-E506 PolarHBondContact O-N 2.93Å; G504-V507 WeakPolarHBondContact O-CB 3.34Å; G504-V507 WeakPolarHBondContact O-CG2 3.39Å; G504-V507 PolarHBondContact O-N 2.97Å
505	D	96.9	Very high	94.9	Very high	12 Å²	12	15.8 Å²	15.8	6%	0.064	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-18.9	177.7	-83.3	-9.3	0	0	0	113.7	H489 K495 A501 A502 P508 Y509	H489-D505 HydrophobicContact CB-CB 4.07Å; H489-D505 VanDerWaalsContact CB-OD2 3.22Å; H489-D505 WeakPolarHBondContact CB-OD2 3.46Å; H489-D505 IonicContact CG-OD2 3.56Å; K495-D505 IonicContact NZ-OD1 2.62Å; K495-D505 IonicContact NZ-OD2 3.72Å; K495-D505 PolarHBondContact NZ-OD2 3.49Å; A501-D505 WeakPolarHBondContact CA-OD2 3.22Å; A502-D505 PolarHBondContact N-OD2 3.09Å; A502-D505 WeakPolarHBondContact O-CB 3.37Å; A502-D505 PolarHBondContact O-N 3.22Å; A502-D505 VanDerWaalsContact O-N 3.14Å; D505-P508 WeakPolarHBondContact O-CD 3.13Å; D505-P508 WeakPolarHBondContact O-CG 3.39Å; D505-Y509 VanDerWaalsContact O-CD2 3.24Å; D505-Y509 WeakPolarHBondContact O-CD2 3.44Å; D505-Y509 VanDerWaalsContact O-CE2 3.26Å; D505-Y509 WeakPolarHBondContact O-CE2 3.2Å
506	E	98.1	Very high	95.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-27.8	178.4	84.2	-61.4	161.7	0	0	112.6	S267 Q293 N386 F486 G504 Y509 V510	S267-E506 WeakPolarHBondContact CB-OE1 3.41Å; S267-E506 PolarHBondContact OG-OE1 3.16Å; Q293-E506 HydrophobicContact CB-CG 4.49Å; Q293-E506 PolarHBondContact NE2-OE1 3.42Å; N386-E506 PolarHBondContact ND2-OE2 3.08Å; F486-E506 HydrophobicContact CD1-CB 3.89Å; F486-E506 HydrophobicContact CD2-CB 4.07Å; F486-E506 HydrophobicContact CE1-CB 3.88Å; F486-E506 HydrophobicContact CE2-CB 4.07Å; F486-E506 HydrophobicContact CG-CB 3.99Å; F486-E506 HydrophobicContact CZ-CB 3.99Å; G504-E506 WeakPolarHBondContact CA-OE2 3.4Å; G504-E506 PolarHBondContact O-N 2.93Å; E506-Y509 WeakPolarHBondContact O-CB 2.78Å; E506-Y509 PolarHBondContact O-N 2.95Å; E506-V510 PolarHBondContact O-N 3.46Å; E506-V510 VanDerWaalsContact O-N 3.08Å
507	V	97.8	Very high	95.2	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-48.7	-53.1	-179.2	178.8	0	0	0	0	113.5	W122 I199 G504 Y509 V510 F511 F522	W122-V507 HydrophobicContact CZ2-CG1 4.4Å; I199-V507 HydrophobicContact CD1-CG1 4Å; G504-V507 WeakPolarHBondContact O-CB 3.34Å; G504-V507 WeakPolarHBondContact O-CG2 3.39Å; G504-V507 PolarHBondContact O-N 2.97Å; V507-Y509 PolarHBondContact O-N 3.31Å; V507-V510 PolarHBondContact O-N 3.29Å; V507-V510 VanDerWaalsContact O-N 3.16Å; V507-F511 HydrophobicContact CG1-CD2 3.84Å; V507-F511 HydrophobicContact CG1-CE2 4.18Å; V507-F511 WeakPolarHBondContact O-CD2 3.29Å; V507-F511 PolarHBondContact O-N 2.91Å; V507-F522 HydrophobicContact CG1-CZ 4.18Å
508	P	97.1	Very high	95.3	Very high	4 Å²	4	15.3 Å²	15.3	3%	0.026	9%	0.091	C	C	.	.	H	α-helix	trans	-61.2	-28	179.4	22.1	-34	0	0	0	113.8	D505 G512 V513 P514 F522 F526	D505-P508 WeakPolarHBondContact O-CD 3.13Å; D505-P508 WeakPolarHBondContact O-CG 3.39Å; P508-G512 PolarHBondContact O-N 3.34Å; P508-V513 HydrophobicContact CB-CB 3.98Å; P508-V513 HydrophobicContact CB-CG2 4.02Å; P508-V513 WeakPolarHBondContact O-CB 3.41Å; P508-V513 PolarHBondContact O-N 2.73Å; P508-P514 WeakPolarHBondContact O-CD 3.43Å; P508-F522 HydrophobicContact CB-CD1 3.98Å; P508-F522 HydrophobicContact CB-CE1 4.22Å; P508-F522 HydrophobicContact CB-CG 4.31Å; P508-F522 HydrophobicContact CG-CD1 4.22Å; P508-F522 HydrophobicContact CG-CE1 4.35Å; P508-F526 HydrophobicContact CB-CE1 4.42Å; P508-F526 HydrophobicContact CB-CZ 4.14Å
509	Y	98.5	Very high	95.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-76.8	-37.8	176.7	-60	-90.4	0	0	0	112	F486 H488 C490 D505 E506 V507 G512 P514 D530 L533 S534	F486-Y509 AromaticContact CE1-CD2 3.95Å; F486-Y509 HydrophobicContact CE1-CD2 3.95Å; F486-Y509 HydrophobicContact CE1-CE2 4.16Å; F486-Y509 AromaticContact CZ-CD2 3.65Å; F486-Y509 HydrophobicContact CZ-CD2 3.65Å; F486-Y509 HydrophobicContact CZ-CE2 4.22Å; F486-Y509 AromaticContact CZ-CG 3.9Å; F486-Y509 HydrophobicContact CZ-CG 3.9Å; H488-Y509 AromaticContact CD2-CE1 3.85Å; H488-Y509 AromaticContact CD2-CZ 3.63Å; H488-Y509 PolarHBondContact CD2-OH 3.42Å; H488-Y509 VanDerWaalsContact CD2-OH 3.3Å; H488-Y509 PolarHBondContact NE2-OH 3Å; C490-Y509 WeakPolarHBondContact CA-OH 3.09Å; C490-Y509 WeakPolarHBondContact CB-OH 3.49Å; C490-Y509 PolarHBondContact N-OH 3.24Å; D505-Y509 VanDerWaalsContact O-CD2 3.24Å; D505-Y509 WeakPolarHBondContact O-CD2 3.44Å; D505-Y509 VanDerWaalsContact O-CE2 3.26Å; D505-Y509 WeakPolarHBondContact O-CE2 3.2Å; E506-Y509 WeakPolarHBondContact O-CB 2.78Å; E506-Y509 PolarHBondContact O-N 2.95Å; V507-Y509 PolarHBondContact O-N 3.31Å; Y509-G512 PolarHBondContact O-N 3.49Å; Y509-P514 HydrophobicContact CD1-CG 4.19Å; Y509-P514 HydrophobicContact CE1-CG 4.29Å; Y509-D530 HydrophobicContact CE1-CB 3.87Å; Y509-D530 PolarHBondContact OH-OD1 2.04Å; Y509-L533 HydrophobicContact CD1-CB 4.26Å; Y509-L533 HydrophobicContact CD1-CD2 4.07Å; Y509-L533 HydrophobicContact CD1-CG 4.21Å; Y509-L533 HydrophobicContact CE1-CB 4.46Å; Y509-L533 HydrophobicContact CE1-CD2 4.04Å; Y509-S534 PolarHBondContact O-OG 2.93Å
510	V	98.7	Very high	95.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65	-37.4	174.7	175.2	0	0	0	0	111.7	F265 E506 V507 V537 M538 W541	F265-V510 HydrophobicContact CD2-CG1 4.44Å; F265-V510 HydrophobicContact CE2-CG1 3.88Å; E506-V510 PolarHBondContact O-N 3.46Å; E506-V510 VanDerWaalsContact O-N 3.08Å; V507-V510 PolarHBondContact O-N 3.29Å; V507-V510 VanDerWaalsContact O-N 3.16Å; V510-V537 HydrophobicContact CB-CG1 4.35Å; V510-V537 HydrophobicContact CG2-CG1 3.62Å; V510-M538 VanDerWaalsContact O-CG 3.29Å; V510-M538 WeakPolarHBondContact O-CG 3.36Å; V510-W541 HydrophobicContact CG1-CG 4.38Å; V510-W541 HydrophobicContact CG2-CD2 4.38Å; V510-W541 HydrophobicContact CG2-CZ2 3.97Å
511	F	98.2	Very high	95	Very high	5 Å²	5	19.6 Å²	19.6	2%	0.022	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	9	-180	-72.2	-75.1	0	0	0	115	Y185 I199 L204 V212 F265 V507 V513	Y185-F511 HydrophobicContact CD1-CZ 4.18Å; Y185-F511 HydrophobicContact CD2-CE2 4.07Å; Y185-F511 AromaticContact CD2-CZ 3.61Å; Y185-F511 HydrophobicContact CD2-CZ 3.61Å; Y185-F511 HydrophobicContact CE1-CZ 4.45Å; Y185-F511 AromaticContact CE2-CE2 3.85Å; Y185-F511 HydrophobicContact CE2-CE2 3.85Å; Y185-F511 AromaticContact CE2-CZ 3.88Å; Y185-F511 HydrophobicContact CE2-CZ 3.88Å; Y185-F511 HydrophobicContact CG-CE2 4.46Å; Y185-F511 AromaticContact CG-CZ 3.74Å; Y185-F511 HydrophobicContact CG-CZ 3.74Å; I199-F511 HydrophobicContact CG2-CD1 3.44Å; I199-F511 VanDerWaalsContact CG2-CD1 3.44Å; I199-F511 HydrophobicContact CG2-CD2 3.72Å; I199-F511 HydrophobicContact CG2-CE1 3.31Å; I199-F511 HydrophobicContact CG2-CE2 3.6Å; I199-F511 HydrophobicContact CG2-CG 3.66Å; I199-F511 HydrophobicContact CG2-CZ 3.4Å; L204-F511 HydrophobicContact CD2-CD1 4.15Å; L204-F511 HydrophobicContact CD2-CE1 3.99Å; V212-F511 HydrophobicContact CG1-CE1 4.49Å; F265-F511 HydrophobicContact CE2-CE1 4.09Å; F265-F511 HydrophobicContact CE2-CE2 4.07Å; F265-F511 AromaticContact CE2-CZ 3.43Å; F265-F511 HydrophobicContact CE2-CZ 3.43Å; F265-F511 VanDerWaalsContact CE2-CZ 3.43Å; F265-F511 AromaticContact CZ-CE1 3.8Å; F265-F511 HydrophobicContact CZ-CE1 3.8Å; F265-F511 AromaticContact CZ-CZ 3.5Å; F265-F511 HydrophobicContact CZ-CZ 3.5Å; F265-F511 VanDerWaalsContact CZ-CZ 3.5Å; V507-F511 HydrophobicContact CG1-CD2 3.84Å; V507-F511 HydrophobicContact CG1-CE2 4.18Å; V507-F511 WeakPolarHBondContact O-CD2 3.29Å; V507-F511 PolarHBondContact O-N 2.91Å; F511-V513 VanDerWaalsContact C-N 3.28Å; F511-V513 HydrophobicContact CB-CG2 4.41Å; F511-V513 PolarHBondContact O-N 3.09Å
512	G	96.7	Very high	94.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	11.4	172.1	0	0	0	0	0	115.6	P508 Y509 P514 M515 S534 M538	P508-G512 PolarHBondContact O-N 3.34Å; Y509-G512 PolarHBondContact O-N 3.49Å; G512-P514 VanDerWaalsContact C-CD 3.45Å; G512-P514 VanDerWaalsContact C-N 3.34Å; G512-M515 VanDerWaalsContact O-CB 3.29Å; G512-M515 WeakPolarHBondContact O-CB 3.5Å; G512-M515 PolarHBondContact O-N 2.98Å; G512-S534 VanDerWaalsContact CA-OG 3.31Å; G512-S534 WeakPolarHBondContact CA-OG 3.49Å; G512-M538 VanDerWaalsContact CA-SD 3.58Å
513	V	95.8	Very high	94.4	Very high	13 Å²	13	23.2 Å²	23.2	8%	0.079	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-54.2	-40.6	-175	-173.2	0	0	0	0	113	P508 F511 M515 V516 G517 T519 F522 F526	P508-V513 HydrophobicContact CB-CB 3.98Å; P508-V513 HydrophobicContact CB-CG2 4.02Å; P508-V513 WeakPolarHBondContact O-CB 3.41Å; P508-V513 PolarHBondContact O-N 2.73Å; F511-V513 VanDerWaalsContact C-N 3.28Å; F511-V513 HydrophobicContact CB-CG2 4.41Å; F511-V513 PolarHBondContact O-N 3.09Å; V513-M515 PolarHBondContact O-N 2.69Å; V513-V516 WeakPolarHBondContact O-CG2 3.39Å; V513-V516 PolarHBondContact O-N 2.87Å; V513-G517 PolarHBondContact O-N 3.23Å; V513-G517 VanDerWaalsContact O-N 3.09Å; V513-T519 HydrophobicContact CG1-CG2 4.04Å; V513-F522 HydrophobicContact CG1-CB 3.98Å; V513-F522 HydrophobicContact CG1-CD2 4.14Å; V513-F522 HydrophobicContact CG1-CG 4.32Å; V513-F522 HydrophobicContact CG2-CD2 3.94Å; V513-F522 HydrophobicContact CG2-CE2 4.18Å; V513-F526 HydrophobicContact CB-CE2 4.46Å; V513-F526 HydrophobicContact CB-CZ 4.38Å; V513-F526 HydrophobicContact CG1-CE2 3.75Å; V513-F526 HydrophobicContact CG1-CZ 4.02Å
514	P	95.4	Very high	94	Very high	6 Å²	6	23.7 Å²	23.7	4%	0.039	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-54.3	-24.6	174.2	-29.4	37.3	0	0	0	115.2	P508 Y509 G512 F526 D530 V531	P508-P514 WeakPolarHBondContact O-CD 3.43Å; Y509-P514 HydrophobicContact CD1-CG 4.19Å; Y509-P514 HydrophobicContact CE1-CG 4.29Å; G512-P514 VanDerWaalsContact C-CD 3.45Å; G512-P514 VanDerWaalsContact C-N 3.34Å; P514-F526 HydrophobicContact CB-CB 4.09Å; P514-F526 HydrophobicContact CB-CD1 4.06Å; P514-F526 HydrophobicContact CB-CG 4Å; P514-F526 HydrophobicContact CG-CD1 3.62Å; P514-F526 HydrophobicContact CG-CE1 3.81Å; P514-F526 HydrophobicContact CG-CG 4.03Å; P514-F526 HydrophobicContact CG-CZ 4.39Å; P514-D530 HydrophobicContact CB-CB 4.17Å; P514-D530 HydrophobicContact CG-CB 4.24Å; P514-V531 HydrophobicContact CB-CG2 4.24Å; P514-V531 WeakPolarHBondContact O-CG2 3.28Å
515	M	92.4	Very high	93.6	Very high	27 Å²	27	29.4 Å²	29.4	13%	0.133	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-75.5	-23.6	179.8	-58.3	-168.2	173.3	0	0	114	L63 I203 Y207 G512 V513 V531 A535 M538 I561	L63-M515 HydrophobicContact CD1-SD 4.43Å; I203-M515 HydrophobicContact CG2-CB 4.33Å; I203-M515 HydrophobicContact CG2-CG 4.49Å; I203-M515 HydrophobicContact CG2-SD 3.98Å; Y207-M515 HydrophobicContact CD2-CE 3.78Å; Y207-M515 HydrophobicContact CD2-SD 4.07Å; Y207-M515 HydrophobicContact CE2-CE 3.76Å; G512-M515 VanDerWaalsContact O-CB 3.29Å; G512-M515 WeakPolarHBondContact O-CB 3.5Å; G512-M515 PolarHBondContact O-N 2.98Å; V513-M515 PolarHBondContact O-N 2.69Å; M515-V531 HydrophobicContact CG-CG1 4.33Å; M515-A535 HydrophobicContact CE-CB 3.58Å; M515-M538 HydrophobicContact CE-CE 3.27Å; M515-M538 HydrophobicContact SD-CE 3.62Å; M515-I561 HydrophobicContact CE-CG1 3.93Å; M515-I561 HydrophobicContact SD-CD1 3.99Å; M515-I561 HydrophobicContact SD-CG1 4.01Å
516	V	91.4	Very high	93.5	Very high	58 Å²	58	29.9 Å²	29.9	35%	0.352	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-22.1	173.2	-64.8	0	0	0	0	112.5	P59 I203 V513 T519	P59-V516 HydrophobicContact CB-CG1 4.49Å; P59-V516 HydrophobicContact CG-CG1 3.98Å; I203-V516 HydrophobicContact CD1-CG1 3.55Å; I203-V516 HydrophobicContact CG1-CG1 4.1Å; V513-V516 WeakPolarHBondContact O-CG2 3.39Å; V513-V516 PolarHBondContact O-N 2.87Å; V516-T519 HydrophobicContact CG2-CG2 4.15Å
517	G	90.1	Very high	93.3	Very high	15 Å²	15	32.2 Å²	32.2	16%	0.155	19%	0.191	C	C	.	.			trans	102	-165.7	-177.7	0	0	0	0	0	112.4	V513	V513-G517 PolarHBondContact O-N 3.23Å; V513-G517 VanDerWaalsContact O-N 3.09Å
518	P	90.9	Very high	93.1	Very high	86 Å²	86	38.5 Å²	38.5	56%	0.558	22%	0.218	S	C	*	.			trans	-61.1	138.2	177.1	-15.4	27.5	0	0	0	110.8	C524	P518-C524 WeakPolarHBondContact CG-O 3.34Å
519	T	91.4	Very high	93	Very high	52 Å²	52	40.2 Å²	40.2	32%	0.319	23%	0.227	S	C	.	.			trans	-121	168	172.6	69.4	0	0	0	0	109.8	V513 V516 L521 F522 P523	V513-T519 HydrophobicContact CG1-CG2 4.04Å; V516-T519 HydrophobicContact CG2-CG2 4.15Å; T519-L521 VanDerWaalsContact C-N 3.25Å; T519-L521 PolarHBondContact O-N 3.05Å; T519-F522 PolarHBondContact N-O 2.76Å; T519-F522 VanDerWaalsContact N-O 3.11Å; T519-F522 CarbonylContact O-C 3.6Å; T519-F522 PolarHBondContact O-N 2.7Å; T519-F522 PolarHBondContact OG1-N 3.49Å; T519-F522 VanDerWaalsContact OG1-N 3.14Å; T519-P523 WeakPolarHBondContact O-CA 3.45Å; T519-P523 VanDerWaalsContact O-N 3.1Å
520	D	89.5	Confident	92.9	Very high	124 Å²	124	40.6 Å²	40.6	66%	0.663	23%	0.229	S	C	*	.	S	Bend	trans	-59.9	-36.6	179.4	-58.5	-37.7	0	0	0	112.3	I129	I129-D520 HydrophobicContact CD1-CB 4.29Å; I129-D520 HydrophobicContact CG1-CB 4.49Å; I129-D520 HydrophobicContact CG2-CB 3.93Å
521	L	90.9	Very high	92.8	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.016	23%	0.234	C	C	.	.	S	Bend	trans	-80.4	-30.4	177.8	-173.4	64.1	0	0	0	112.8	W122 N126 I129 V130 M198 T519 P523	W122-L521 HydrophobicContact CE3-CD1 4.02Å; W122-L521 HydrophobicContact CE3-CD2 4.42Å; W122-L521 HydrophobicContact CE3-CG 4.12Å; W122-L521 HydrophobicContact CZ3-CD1 4.06Å; W122-L521 HydrophobicContact CZ3-CD2 4.09Å; W122-L521 HydrophobicContact CZ3-CG 4.23Å; N126-L521 PolarHBondContact ND2-O 2.91Å; I129-L521 HydrophobicContact CG2-CB 4.4Å; I129-L521 HydrophobicContact CG2-CD1 4.45Å; V130-L521 HydrophobicContact CG2-CD1 3.67Å; M198-L521 HydrophobicContact CB-CD2 3.98Å; M198-L521 HydrophobicContact CG-CD2 4.47Å; M198-L521 WeakPolarHBondContact O-CD2 3.36Å; T519-L521 VanDerWaalsContact C-N 3.25Å; T519-L521 PolarHBondContact O-N 3.05Å; L521-P523 VanDerWaalsContact C-CD 3.42Å; L521-P523 WeakPolarHBondContact O-CD 3.31Å
522	F	92.1	Very high	92.7	Very high	18 Å²	18	41.2 Å²	41.2	8%	0.079	23%	0.233	C	C	.	.			trans	-122.4	73.7	177.9	-59.7	-76.2	0	0	0	110.1	W122 I199 V507 P508 V513 T519 C524 F526	W122-F522 HydrophobicContact CB-CD1 4.09Å; W122-F522 HydrophobicContact CB-CE1 4.06Å; W122-F522 AromaticContact CD1-CE1 3.82Å; W122-F522 HydrophobicContact CD2-CD1 4.43Å; W122-F522 AromaticContact CD2-CE1 3.58Å; W122-F522 HydrophobicContact CD2-CE1 3.58Å; W122-F522 HydrophobicContact CD2-CZ 4.11Å; W122-F522 AromaticContact CE2-CE1 3.93Å; W122-F522 HydrophobicContact CE3-CE1 4.06Å; W122-F522 HydrophobicContact CE3-CZ 4.28Å; W122-F522 HydrophobicContact CG-CD1 4.09Å; W122-F522 AromaticContact CG-CE1 3.56Å; W122-F522 HydrophobicContact CG-CE1 3.56Å; W122-F522 AromaticContact NE1-CE1 3.99Å; I199-F522 HydrophobicContact CD1-CZ 4.33Å; V507-F522 HydrophobicContact CG1-CZ 4.18Å; P508-F522 HydrophobicContact CB-CD1 3.98Å; P508-F522 HydrophobicContact CB-CE1 4.22Å; P508-F522 HydrophobicContact CB-CG 4.31Å; P508-F522 HydrophobicContact CG-CD1 4.22Å; P508-F522 HydrophobicContact CG-CE1 4.35Å; V513-F522 HydrophobicContact CG1-CB 3.98Å; V513-F522 HydrophobicContact CG1-CD2 4.14Å; V513-F522 HydrophobicContact CG1-CG 4.32Å; V513-F522 HydrophobicContact CG2-CD2 3.94Å; V513-F522 HydrophobicContact CG2-CE2 4.18Å; T519-F522 PolarHBondContact N-O 2.76Å; T519-F522 VanDerWaalsContact N-O 3.11Å; T519-F522 CarbonylContact O-C 3.6Å; T519-F522 PolarHBondContact O-N 2.7Å; T519-F522 PolarHBondContact OG1-N 3.49Å; T519-F522 VanDerWaalsContact OG1-N 3.14Å; F522-C524 PolarHBondContact O-N 3.29Å; F522-F526 HydrophobicContact CB-CZ 4.41Å
523	P	88.2	Confident	92.7	Very high	58 Å²	58	41.2 Å²	41.2	38%	0.377	23%	0.233	S	C	.	.			trans	-76.2	36.9	-177	33.4	-38.3	0	0	0	112.9	M494 T519 L521	M494-P523 HydrophobicContact SD-CG 4.17Å; T519-P523 WeakPolarHBondContact O-CA 3.45Å; T519-P523 VanDerWaalsContact O-N 3.1Å; L521-P523 VanDerWaalsContact C-CD 3.42Å; L521-P523 WeakPolarHBondContact O-CD 3.31Å
524	C	87.6	Confident	92.8	Very high	15 Å²	15	40.6 Å²	40.6	10%	0.101	23%	0.23	C	C	.	.			trans	-83.1	138.2	-179.6	-108.8	0	0	0	0	111.5	C490 P518 F522 F526	C490-C524 HydrophobicContact CB-CB 3.54Å; C490-C524 WeakPolarHBondContact CB-SG 3.07Å; C490-C524 WeakPolarHBondContact SG-CB 3.48Å; C490-C524 CovalentContact SG-SG 2.03Å; C490-C524 PolarHBondContact SG-SG 3.27Å; P518-C524 WeakPolarHBondContact CG-O 3.34Å; F522-C524 PolarHBondContact O-N 3.29Å; C524-F526 HydrophobicContact CB-CD1 4.17Å; C524-F526 HydrophobicContact CB-CD2 4.34Å; C524-F526 HydrophobicContact CB-CE1 3.67Å; C524-F526 HydrophobicContact CB-CE2 3.84Å; C524-F526 HydrophobicContact CB-CZ 3.49Å; C524-F526 VanDerWaalsContact CB-CZ 3.49Å; C524-F526 VanDerWaalsContact O-CD2 3.27Å; C524-F526 WeakPolarHBondContact O-CD2 3.2Å; C524-F526 PolarHBondContact O-N 2.98Å
525	N	88.9	Confident	92.9	Very high	120 Å²	120	40.3 Å²	40.3	64%	0.642	23%	0.228	S	C	*	.	B	Isolated β-bridge	trans	-82.1	86.3	174.4	-170.2	8.3	0	0	0	110.2	Q491 S527	Q491-N525 PolarHBondContact O-N 3.07Å; Q491-N525 VanDerWaalsContact O-N 3.09Å; N525-S527 PolarHBondContact O-N 3.4Å
526	F	93.3	Very high	93.1	Very high	23 Å²	23	39 Å²	39	10%	0.101	22%	0.221	C	C	.	.			trans	-70.9	122.6	-177.3	-61	-67.5	0	0	0	112.3	C490 P508 V513 P514 F522 C524 D530	C490-F526 HydrophobicContact CB-CD1 3.73Å; C490-F526 HydrophobicContact CB-CE1 3.62Å; P508-F526 HydrophobicContact CB-CE1 4.42Å; P508-F526 HydrophobicContact CB-CZ 4.14Å; V513-F526 HydrophobicContact CB-CE2 4.46Å; V513-F526 HydrophobicContact CB-CZ 4.38Å; V513-F526 HydrophobicContact CG1-CE2 3.75Å; V513-F526 HydrophobicContact CG1-CZ 4.02Å; P514-F526 HydrophobicContact CB-CB 4.09Å; P514-F526 HydrophobicContact CB-CD1 4.06Å; P514-F526 HydrophobicContact CB-CG 4Å; P514-F526 HydrophobicContact CG-CD1 3.62Å; P514-F526 HydrophobicContact CG-CE1 3.81Å; P514-F526 HydrophobicContact CG-CG 4.03Å; P514-F526 HydrophobicContact CG-CZ 4.39Å; F522-F526 HydrophobicContact CB-CZ 4.41Å; C524-F526 HydrophobicContact CB-CD1 4.17Å; C524-F526 HydrophobicContact CB-CD2 4.34Å; C524-F526 HydrophobicContact CB-CE1 3.67Å; C524-F526 HydrophobicContact CB-CE2 3.84Å; C524-F526 HydrophobicContact CB-CZ 3.49Å; C524-F526 VanDerWaalsContact CB-CZ 3.49Å; C524-F526 VanDerWaalsContact O-CD2 3.27Å; C524-F526 WeakPolarHBondContact O-CD2 3.2Å; C524-F526 PolarHBondContact O-N 2.98Å; F526-D530 HydrophobicContact CB-CB 4.14Å; F526-D530 HydrophobicContact CD1-CB 4.02Å
527	S	94.4	Very high	93.5	Very high	49 Å²	49	36.3 Å²	36.3	34%	0.343	21%	0.205	S	C	.	.			trans	-84.3	169	173.1	84.2	0	0	0	0	111.8	N525 N529 D530 V531	N525-S527 PolarHBondContact O-N 3.4Å; S527-N529 PolarHBondContact O-N 3.33Å; S527-N529 VanDerWaalsContact O-N 3.11Å; S527-N529 PolarHBondContact OG-N 3.43Å; S527-N529 VanDerWaalsContact OG-N 3.12Å; S527-D530 VanDerWaalsContact CA-OD2 3.28Å; S527-D530 WeakPolarHBondContact CA-OD2 3.46Å; S527-D530 WeakPolarHBondContact CB-OD2 3.41Å; S527-D530 PolarHBondContact N-OD2 3.34Å; S527-D530 WeakPolarHBondContact O-CA 2.99Å; S527-D530 WeakPolarHBondContact O-CB 3.4Å; S527-D530 PolarHBondContact O-N 2.92Å; S527-D530 PolarHBondContact OG-OD2 2.77Å; S527-V531 PolarHBondContact O-N 3.04Å
528	K	94.1	Very high	93.9	Very high	133 Å²	133	35.6 Å²	35.6	58%	0.578	20%	0.197	S	C	*	.	H	α-helix	trans	-59.4	-21.4	171.5	-63.9	-170.3	177.5	-172.9	0	114.2	M532 T563 K564	K528-M532 PolarHBondContact O-N 3.39Å; K528-T563 WeakPolarHBondContact CB-OG1 3.25Å; K528-T563 PolarHBondContact O-OG1 3.21Å; K528-K564 HydrophobicContact CB-CG 3.79Å
529	N	95.3	Very high	94.2	Very high	40 Å²	40	31.7 Å²	31.7	21%	0.214	17%	0.172	C	C	.	.	H	α-helix	trans	-75.5	-30.5	172.6	-62.3	-57.1	0	0	0	111.6	S527 M532 L533 R567 L588	S527-N529 PolarHBondContact O-N 3.33Å; S527-N529 VanDerWaalsContact O-N 3.11Å; S527-N529 PolarHBondContact OG-N 3.43Å; S527-N529 VanDerWaalsContact OG-N 3.12Å; N529-M532 PolarHBondContact O-N 3.4Å; N529-L533 WeakPolarHBondContact O-CB 3.48Å; N529-L533 PolarHBondContact O-N 2.89Å; N529-R567 PolarHBondContact OD1-NH2 3.42Å; N529-L588 HydrophobicContact CB-CD1 4.25Å; N529-L588 HydrophobicContact CB-CD2 3.81Å
530	D	96.4	Very high	94.6	Very high	7 Å²	7	29.3 Å²	29.3	4%	0.037	16%	0.157	C	C	.	.	H	α-helix	trans	-71.6	-38.7	177.1	-55.3	-82.2	0	0	0	111.1	H488 Y509 P514 F526 S527 L533 S534	H488-D530 IonicContact CD2-OD1 3.09Å; H488-D530 IonicContact CE1-OD1 3.31Å; H488-D530 IonicContact NE2-OD1 3.78Å; H488-D530 PolarHBondContact NE2-OD1 3.19Å; Y509-D530 HydrophobicContact CE1-CB 3.87Å; Y509-D530 PolarHBondContact OH-OD1 2.04Å; P514-D530 HydrophobicContact CB-CB 4.17Å; P514-D530 HydrophobicContact CG-CB 4.24Å; F526-D530 HydrophobicContact CB-CB 4.14Å; F526-D530 HydrophobicContact CD1-CB 4.02Å; S527-D530 VanDerWaalsContact CA-OD2 3.28Å; S527-D530 WeakPolarHBondContact CA-OD2 3.46Å; S527-D530 WeakPolarHBondContact CB-OD2 3.41Å; S527-D530 PolarHBondContact N-OD2 3.34Å; S527-D530 WeakPolarHBondContact O-CA 2.99Å; S527-D530 WeakPolarHBondContact O-CB 3.4Å; S527-D530 PolarHBondContact O-N 2.92Å; S527-D530 PolarHBondContact OG-OD2 2.77Å; D530-L533 PolarHBondContact O-N 3.22Å; D530-S534 VanDerWaalsContact O-CB 3.31Å; D530-S534 WeakPolarHBondContact O-CB 3.45Å; D530-S534 PolarHBondContact O-N 3.1Å
531	V	95.6	Very high	95	Very high	19 Å²	19	23.4 Å²	23.4	12%	0.115	13%	0.126	C	C	.	.	H	α-helix	trans	-59	-48.2	171	-173.2	0	0	0	0	111.1	P514 M515 S527 S534 A535 I561 T563	P514-V531 HydrophobicContact CB-CG2 4.24Å; P514-V531 WeakPolarHBondContact O-CG2 3.28Å; M515-V531 HydrophobicContact CG-CG1 4.33Å; S527-V531 PolarHBondContact O-N 3.04Å; V531-S534 PolarHBondContact O-N 2.75Å; V531-A535 WeakPolarHBondContact O-CB 3.41Å; V531-A535 PolarHBondContact O-N 2.87Å; V531-I561 WeakPolarHBondContact CG1-O 3.47Å; V531-T563 HydrophobicContact CB-CG2 4.49Å; V531-T563 HydrophobicContact CG1-CG2 3.93Å
532	M	95.9	Very high	95.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.9	-46.7	176	-179.4	-80.4	-56.3	0	0	111.7	K528 N529 S534 A535 V536 H562 K564 R567 L588	K528-M532 PolarHBondContact O-N 3.39Å; N529-M532 PolarHBondContact O-N 3.4Å; M532-S534 PolarHBondContact O-N 3.46Å; M532-A535 PolarHBondContact O-N 2.94Å; M532-V536 WeakPolarHBondContact O-CG2 3.46Å; M532-V536 PolarHBondContact O-N 2.92Å; M532-V536 HydrophobicContact SD-CG2 3.88Å; M532-H562 HydrophobicContact CB-CB 4.3Å; M532-H562 WeakPolarHBondContact CB-O 3.5Å; M532-H562 HydrophobicContact CG-CB 4.23Å; M532-H562 PolarHBondContact N-O 3.41Å; M532-K564 HydrophobicContact CB-CB 4.18Å; M532-K564 HydrophobicContact CG-CB 4.4Å; M532-R567 HydrophobicContact CE-CG 4.06Å; M532-L588 HydrophobicContact CE-CD2 4.29Å
533	L	97.3	Very high	95.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.9	-39	-179.6	-174.5	65.8	0	0	0	112.2	F486 H488 Y509 N529 D530 V536 V537 F568 I586	F486-L533 HydrophobicContact CZ-CD2 4.22Å; H488-L533 HydrophobicContact CB-CD2 3.66Å; H488-L533 WeakPolarHBondContact CD2-CD2 3.44Å; Y509-L533 HydrophobicContact CD1-CB 4.26Å; Y509-L533 HydrophobicContact CD1-CD2 4.07Å; Y509-L533 HydrophobicContact CD1-CG 4.21Å; Y509-L533 HydrophobicContact CE1-CB 4.46Å; Y509-L533 HydrophobicContact CE1-CD2 4.04Å; N529-L533 WeakPolarHBondContact O-CB 3.48Å; N529-L533 PolarHBondContact O-N 2.89Å; D530-L533 PolarHBondContact O-N 3.22Å; L533-V536 WeakPolarHBondContact O-CB 3.34Å; L533-V536 PolarHBondContact O-N 3.37Å; L533-V537 HydrophobicContact CG-CG2 4.4Å; L533-V537 WeakPolarHBondContact O-CB 3.48Å; L533-V537 VanDerWaalsContact O-CG2 3.26Å; L533-V537 WeakPolarHBondContact O-CG2 3.24Å; L533-V537 PolarHBondContact O-N 3.47Å; L533-F568 HydrophobicContact CD1-CE2 3.78Å; L533-F568 HydrophobicContact CD1-CZ 3.7Å; L533-I586 HydrophobicContact CD1-CG2 3.9Å
534	S	97.8	Very high	96.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.2	-41.1	176.3	177.3	0	0	0	0	112.1	Y509 G512 D530 V531 M532 V536 V537 M538	Y509-S534 PolarHBondContact O-OG 2.93Å; G512-S534 VanDerWaalsContact CA-OG 3.31Å; G512-S534 WeakPolarHBondContact CA-OG 3.49Å; D530-S534 VanDerWaalsContact O-CB 3.31Å; D530-S534 WeakPolarHBondContact O-CB 3.45Å; D530-S534 PolarHBondContact O-N 3.1Å; V531-S534 PolarHBondContact O-N 2.75Å; M532-S534 PolarHBondContact O-N 3.46Å; S534-V536 VanDerWaalsContact C-N 3.34Å; S534-V536 PolarHBondContact O-N 3.34Å; S534-V537 PolarHBondContact O-N 3.07Å; S534-M538 WeakPolarHBondContact O-CB 3.46Å; S534-M538 WeakPolarHBondContact O-CG 3.19Å; S534-M538 PolarHBondContact O-N 2.7Å
535	A	96.9	Very high	96.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59	-43.5	171.8	0	0	0	0	0	112.2	Y207 M515 V531 M532 T539 H562	Y207-A535 HydrophobicContact CE2-CB 4.08Å; Y207-A535 PolarHBondContact OH-O 2.99Å; M515-A535 HydrophobicContact CE-CB 3.58Å; V531-A535 WeakPolarHBondContact O-CB 3.41Å; V531-A535 PolarHBondContact O-N 2.87Å; M532-A535 PolarHBondContact O-N 2.94Å; A535-T539 WeakPolarHBondContact O-CB 3.35Å; A535-T539 PolarHBondContact O-N 3.33Å; A535-T539 PolarHBondContact O-OG1 3.49Å; A535-H562 WeakPolarHBondContact CB-CD2 3.37Å
536	V	97.6	Very high	97.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.5	-48.8	175.2	167.6	0	0	0	0	111.9	M532 L533 S534 T539 Y540 Q556 N566 F568	M532-V536 WeakPolarHBondContact O-CG2 3.46Å; M532-V536 PolarHBondContact O-N 2.92Å; M532-V536 HydrophobicContact SD-CG2 3.88Å; L533-V536 WeakPolarHBondContact O-CB 3.34Å; L533-V536 PolarHBondContact O-N 3.37Å; S534-V536 VanDerWaalsContact C-N 3.34Å; S534-V536 PolarHBondContact O-N 3.34Å; V536-T539 WeakPolarHBondContact O-CB 3.44Å; V536-T539 PolarHBondContact O-N 2.71Å; V536-Y540 HydrophobicContact CG1-CD2 3.74Å; V536-Y540 HydrophobicContact CG1-CE2 3.44Å; V536-Y540 VanDerWaalsContact CG1-CE2 3.44Å; V536-Y540 VanDerWaalsContact O-CD2 3.31Å; V536-Y540 WeakPolarHBondContact O-CD2 3.34Å; V536-Y540 PolarHBondContact O-N 2.94Å; V536-Q556 PolarHBondContact O-NE2 2.67Å; V536-Q556 VanDerWaalsContact O-NE2 3.1Å; V536-N566 WeakPolarHBondContact CG2-ND2 3.47Å; V536-N566 WeakPolarHBondContact CG2-OD1 3.46Å; V536-F568 HydrophobicContact CB-CD2 4.17Å; V536-F568 HydrophobicContact CB-CE2 4.28Å; V536-F568 HydrophobicContact CG1-CB 4.16Å; V536-F568 HydrophobicContact CG1-CD1 3.74Å; V536-F568 HydrophobicContact CG1-CD2 3.58Å; V536-F568 HydrophobicContact CG1-CE1 3.82Å; V536-F568 HydrophobicContact CG1-CE2 3.71Å; V536-F568 HydrophobicContact CG1-CG 3.58Å; V536-F568 HydrophobicContact CG1-CZ 3.8Å; V536-F568 HydrophobicContact CG2-CB 4.41Å; V536-F568 HydrophobicContact CG2-CD2 3.65Å; V536-F568 HydrophobicContact CG2-CE2 4.11Å; V536-F568 HydrophobicContact CG2-CG 4.21Å
537	V	98.6	Very high	97.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.3	-50.5	-179.3	168.2	0	0	0	0	110.3	F486 V510 L533 S534 T539 Y540 W541 I586	F486-V537 HydrophobicContact CE2-CG2 4.02Å; V510-V537 HydrophobicContact CB-CG1 4.35Å; V510-V537 HydrophobicContact CG2-CG1 3.62Å; L533-V537 HydrophobicContact CG-CG2 4.4Å; L533-V537 WeakPolarHBondContact O-CB 3.48Å; L533-V537 VanDerWaalsContact O-CG2 3.26Å; L533-V537 WeakPolarHBondContact O-CG2 3.24Å; L533-V537 PolarHBondContact O-N 3.47Å; S534-V537 PolarHBondContact O-N 3.07Å; V537-T539 VanDerWaalsContact C-N 3.26Å; V537-T539 PolarHBondContact O-N 3.09Å; V537-Y540 PolarHBondContact O-N 2.95Å; V537-Y540 VanDerWaalsContact O-N 3.16Å; V537-W541 HydrophobicContact CG1-CD2 4.07Å; V537-W541 HydrophobicContact CG1-CE3 3.8Å; V537-W541 HydrophobicContact CG1-CH2 4.28Å; V537-W541 HydrophobicContact CG1-CZ3 3.92Å; V537-W541 VanDerWaalsContact O-CE3 3.23Å; V537-W541 PolarHBondContact O-N 3.35Å; V537-I586 HydrophobicContact CG2-CG2 4.13Å
538	M	98.6	Very high	97.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.4	-33.5	176	-69.4	-165.4	-67.5	0	0	112.7	I203 L204 Y207 V510 G512 M515 S534 T542	I203-M538 HydrophobicContact CG2-CE 4.15Å; I203-M538 HydrophobicContact CG2-SD 4.32Å; L204-M538 HydrophobicContact CB-SD 4.25Å; L204-M538 HydrophobicContact CD1-CB 4.16Å; L204-M538 HydrophobicContact CD1-CG 3.88Å; L204-M538 HydrophobicContact CD1-SD 4.04Å; Y207-M538 HydrophobicContact CD1-CB 3.6Å; Y207-M538 HydrophobicContact CD1-CE 3.88Å; Y207-M538 HydrophobicContact CD1-SD 4.3Å; Y207-M538 HydrophobicContact CD2-CE 4.02Å; Y207-M538 HydrophobicContact CE1-CB 3.73Å; Y207-M538 HydrophobicContact CE1-CE 4.4Å; Y207-M538 HydrophobicContact CG-CE 3.68Å; Y207-M538 HydrophobicContact CG-SD 4.39Å; V510-M538 VanDerWaalsContact O-CG 3.29Å; V510-M538 WeakPolarHBondContact O-CG 3.36Å; G512-M538 VanDerWaalsContact CA-SD 3.58Å; M515-M538 HydrophobicContact CE-CE 3.27Å; M515-M538 HydrophobicContact SD-CE 3.62Å; S534-M538 WeakPolarHBondContact O-CB 3.46Å; S534-M538 WeakPolarHBondContact O-CG 3.19Å; S534-M538 PolarHBondContact O-N 2.7Å; M538-T542 VanDerWaalsContact O-CB 3.3Å; M538-T542 WeakPolarHBondContact O-CB 3.19Å; M538-T542 WeakPolarHBondContact O-CG2 3.45Å; M538-T542 PolarHBondContact O-N 3.38Å; M538-T542 PolarHBondContact O-OG1 3.23Å
539	T	98.3	Very high	97.7	Very high	5 Å²	5	9.6 Å²	9.6	3%	0.031	5%	0.054	C	C	.	.	H	α-helix	trans	-61.9	-52.3	172.6	-64.8	0	0	0	0	110.6	Y207 A535 V536 V537 W541 T542 N543 V554	Y207-T539 PolarHBondContact OH-OG1 3.36Å; A535-T539 WeakPolarHBondContact O-CB 3.35Å; A535-T539 PolarHBondContact O-N 3.33Å; A535-T539 PolarHBondContact O-OG1 3.49Å; V536-T539 WeakPolarHBondContact O-CB 3.44Å; V536-T539 PolarHBondContact O-N 2.71Å; V537-T539 VanDerWaalsContact C-N 3.26Å; V537-T539 PolarHBondContact O-N 3.09Å; T539-W541 PolarHBondContact O-N 2.95Å; T539-T542 PolarHBondContact O-N 2.99Å; T539-T542 PolarHBondContact O-OG1 3.13Å; T539-N543 WeakPolarHBondContact O-CB 3.35Å; T539-N543 PolarHBondContact O-N 3.33Å; T539-N543 PolarHBondContact O-ND2 2.88Å; T539-V554 HydrophobicContact CG2-CB 4.21Å; T539-V554 HydrophobicContact CG2-CG1 4.24Å
540	Y	98.8	Very high	97.8	Very high	1 Å²	1	7.7 Å²	7.7	0%	0.004	4%	0.044	C	C	.	.	H	α-helix	trans	-61	-46.4	178.6	-73.7	-53.6	0	0	0	113.2	V536 V537 F544 P550 Q556 F568 V571 W573 L584	V536-Y540 HydrophobicContact CG1-CD2 3.74Å; V536-Y540 HydrophobicContact CG1-CE2 3.44Å; V536-Y540 VanDerWaalsContact CG1-CE2 3.44Å; V536-Y540 VanDerWaalsContact O-CD2 3.31Å; V536-Y540 WeakPolarHBondContact O-CD2 3.34Å; V536-Y540 PolarHBondContact O-N 2.94Å; V537-Y540 PolarHBondContact O-N 2.95Å; V537-Y540 VanDerWaalsContact O-N 3.16Å; Y540-F544 WeakPolarHBondContact O-CB 3.48Å; Y540-F544 PolarHBondContact O-N 2.88Å; Y540-P550 HydrophobicContact CD1-CB 3.91Å; Y540-P550 WeakPolarHBondContact CD1-O 3.49Å; Y540-P550 HydrophobicContact CG-CB 4.47Å; Y540-Q556 VanDerWaalsContact CD2-NE2 3.33Å; Y540-Q556 HydrophobicContact CE1-CG 4.06Å; Y540-Q556 VanDerWaalsContact CZ-NE2 3.29Å; Y540-F568 AromaticContact CE2-CD1 3.76Å; Y540-F568 HydrophobicContact CE2-CD1 3.76Å; Y540-F568 HydrophobicContact CE2-CE1 4.13Å; Y540-F568 HydrophobicContact CE2-CG 4.47Å; Y540-V571 PolarHBondContact OH-O 2.97Å; Y540-W573 AromaticContact CD1-CE3 3.88Å; Y540-W573 HydrophobicContact CD1-CE3 3.88Å; Y540-W573 HydrophobicContact CD2-CE3 4.3Å; Y540-W573 HydrophobicContact CD2-CZ3 4.47Å; Y540-W573 HydrophobicContact CE1-CB 4.29Å; Y540-W573 HydrophobicContact CE1-CE3 4.31Å; Y540-W573 AromaticContact CG-CE3 3.87Å; Y540-W573 HydrophobicContact CG-CE3 3.87Å; Y540-W573 HydrophobicContact CG-CZ3 4.11Å; Y540-L584 HydrophobicContact CD2-CD2 4.23Å; Y540-L584 HydrophobicContact CE2-CD2 3.72Å
541	W	98.8	Very high	97.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-63.3	-45.3	-179.5	-93.2	-123.5	0	0	0	111.4	M183 I291 Q293 M382 Y484 V510 V537 T539 F544 A545 W573 I586	M183-W541 HydrophobicContact CE-CB 4.31Å; I291-W541 HydrophobicContact CD1-CB 4.39Å; I291-W541 HydrophobicContact CD1-CG 4.01Å; I291-W541 HydrophobicContact CG2-CZ2 4.49Å; Q293-W541 HydrophobicContact CG-CZ2 4.36Å; M382-W541 HydrophobicContact SD-CD2 4.05Å; M382-W541 HydrophobicContact SD-CE3 3.98Å; M382-W541 HydrophobicContact SD-CH2 4.26Å; M382-W541 HydrophobicContact SD-CZ2 4.31Å; M382-W541 HydrophobicContact SD-CZ3 4.1Å; Y484-W541 AromaticContact CD1-CH2 3.99Å; Y484-W541 HydrophobicContact CD1-CH2 3.99Å; Y484-W541 HydrophobicContact CD1-CZ2 4.5Å; Y484-W541 AromaticContact CE1-CH2 3.81Å; Y484-W541 HydrophobicContact CE1-CH2 3.81Å; Y484-W541 AromaticContact CE1-CZ2 3.9Å; Y484-W541 HydrophobicContact CE1-CZ2 3.9Å; Y484-W541 HydrophobicContact CG-CH2 4.45Å; V510-W541 HydrophobicContact CG1-CG 4.38Å; V510-W541 HydrophobicContact CG2-CD2 4.38Å; V510-W541 HydrophobicContact CG2-CZ2 3.97Å; V537-W541 HydrophobicContact CG1-CD2 4.07Å; V537-W541 HydrophobicContact CG1-CE3 3.8Å; V537-W541 HydrophobicContact CG1-CH2 4.28Å; V537-W541 HydrophobicContact CG1-CZ3 3.92Å; V537-W541 VanDerWaalsContact O-CE3 3.23Å; V537-W541 PolarHBondContact O-N 3.35Å; T539-W541 PolarHBondContact O-N 2.95Å; W541-F544 PolarHBondContact O-N 3.33Å; W541-A545 PolarHBondContact O-N 3.45Å; W541-W573 HydrophobicContact CZ3-CH2 4.23Å; W541-W573 HydrophobicContact CZ3-CZ3 4.06Å; W541-I586 HydrophobicContact CH2-CD1 4.05Å; W541-I586 HydrophobicContact CZ3-CD1 3.98Å
542	T	98.7	Very high	97.8	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.012	7%	0.073	C	C	.	.	H	α-helix	trans	-77.1	-30.6	-177.9	66.7	0	0	0	0	112.4	M183 L204 V210 M538 T539 A545 K546	M183-T542 HydrophobicContact SD-CG2 4.04Å; L204-T542 HydrophobicContact CD1-CG2 3.53Å; V210-T542 HydrophobicContact CG1-CG2 4.35Å; V210-T542 HydrophobicContact CG2-CG2 4.05Å; M538-T542 VanDerWaalsContact O-CB 3.3Å; M538-T542 WeakPolarHBondContact O-CB 3.19Å; M538-T542 WeakPolarHBondContact O-CG2 3.45Å; M538-T542 PolarHBondContact O-N 3.38Å; M538-T542 PolarHBondContact O-OG1 3.23Å; T539-T542 PolarHBondContact O-N 2.99Å; T539-T542 PolarHBondContact O-OG1 3.13Å; T542-A545 PolarHBondContact O-N 3.11Å; T542-K546 WeakPolarHBondContact O-CB 3.31Å; T542-K546 WeakPolarHBondContact O-CD 3.25Å; T542-K546 WeakPolarHBondContact O-CG 3.47Å; T542-K546 PolarHBondContact O-N 3.42Å; T542-K546 PolarHBondContact OG1-NZ 2.92Å; T542-K546 VanDerWaalsContact OG1-NZ 3.1Å
543	N	98.6	Very high	97.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60.5	-48.1	168.9	-85.1	-7.4	0	0	0	111.7	T539 A545 K546 T547 D549 P550 K552 P553 V554	T539-N543 WeakPolarHBondContact O-CB 3.35Å; T539-N543 PolarHBondContact O-N 3.33Å; T539-N543 PolarHBondContact O-ND2 2.88Å; N543-A545 VanDerWaalsContact C-N 3.33Å; N543-A545 PolarHBondContact O-N 2.9Å; N543-K546 WeakPolarHBondContact O-CB 3.35Å; N543-K546 PolarHBondContact O-N 3.22Å; N543-K546 VanDerWaalsContact O-N 3.09Å; N543-T547 PolarHBondContact O-N 3.27Å; N543-T547 PolarHBondContact O-OG1 2.7Å; N543-T547 VanDerWaalsContact O-OG1 3.1Å; N543-D549 CarbonylContact C-O 3.52Å; N543-P550 WeakPolarHBondContact CB-O 3.48Å; N543-P550 PolarHBondContact ND2-O 2.98Å; N543-K552 CarbonylContact C-O 3.58Å; N543-K552 VanDerWaalsContact C-O 3.31Å; N543-K552 WeakPolarHBondContact CA-O 3.44Å; N543-K552 WeakPolarHBondContact CB-O 3.35Å; N543-K552 VanDerWaalsContact CG-O 3.27Å; N543-K552 PolarHBondContact ND2-N 2.93Å; N543-K552 PolarHBondContact OD1-O 2.7Å; N543-P553 WeakPolarHBondContact OD1-CD 3.46Å; N543-V554 PolarHBondContact ND2-O 3.47Å; N543-V554 WeakPolarHBondContact OD1-CB 3.41Å; N543-V554 PolarHBondContact OD1-N 3.27Å
544	F	98.8	Very high	97.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59	-44.6	174.6	-177.1	-104.2	0	0	0	111.5	T263 R289 A290 I291 D380 M382 Y482 Y540 W541 K546 T547 G548 P550	T263-F544 HydrophobicContact CG2-CD1 4.42Å; T263-F544 HydrophobicContact CG2-CE1 4.49Å; R289-F544 HydrophobicContact CB-CE1 3.91Å; R289-F544 HydrophobicContact CB-CZ 4.31Å; R289-F544 WeakPolarHBondContact CD-O 3.49Å; R289-F544 PolarHBondContact NE-O 2.97Å; A290-F544 WeakPolarHBondContact O-CE1 3.31Å; I291-F544 HydrophobicContact CD1-CD1 3.88Å; I291-F544 HydrophobicContact CD1-CE1 4.47Å; I291-F544 HydrophobicContact CG1-CD1 3.66Å; I291-F544 HydrophobicContact CG1-CE1 3.75Å; D380-F544 HydrophobicContact CB-CE2 3.85Å; D380-F544 HydrophobicContact CB-CZ 3.69Å; D380-F544 WeakPolarHBondContact O-CZ 3.43Å; M382-F544 HydrophobicContact CB-CD1 4.15Å; M382-F544 HydrophobicContact CB-CD2 4.45Å; M382-F544 HydrophobicContact CB-CE1 3.88Å; M382-F544 HydrophobicContact CB-CE2 4.21Å; M382-F544 HydrophobicContact CB-CG 4.41Å; M382-F544 HydrophobicContact CB-CZ 3.9Å; M382-F544 HydrophobicContact CE-CB 3.57Å; M382-F544 HydrophobicContact CE-CD1 4.2Å; M382-F544 HydrophobicContact CE-CD2 4.09Å; M382-F544 HydrophobicContact CE-CG 3.7Å; Y482-F544 HydrophobicContact CD2-CD2 4.36Å; Y482-F544 HydrophobicContact CD2-CE2 4.03Å; Y482-F544 HydrophobicContact CE2-CE2 4.39Å; Y540-F544 WeakPolarHBondContact O-CB 3.48Å; Y540-F544 PolarHBondContact O-N 2.88Å; W541-F544 PolarHBondContact O-N 3.33Å; F544-K546 VanDerWaalsContact C-N 3.32Å; F544-K546 PolarHBondContact O-N 2.82Å; F544-T547 PolarHBondContact O-N 3.15Å; F544-G548 WeakPolarHBondContact CD2-O 3.49Å; F544-G548 WeakPolarHBondContact CE2-O 3.39Å; F544-G548 WeakPolarHBondContact O-CA 3.06Å; F544-G548 PolarHBondContact O-N 2.69Å; F544-P550 HydrophobicContact CB-CB 4.29Å
545	A	98.6	Very high	97.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.7	-36.8	174.1	0	0	0	0	0	113.4	M183 T263 R289 W541 T542 N543	M183-A545 HydrophobicContact CE-CB 4.27Å; M183-A545 HydrophobicContact CG-CB 3.62Å; M183-A545 HydrophobicContact SD-CB 3.71Å; T263-A545 HydrophobicContact CG2-CB 4.31Å; T263-A545 VanDerWaalsContact OG1-CA 3.3Å; T263-A545 WeakPolarHBondContact OG1-CA 3.02Å; T263-A545 WeakPolarHBondContact OG1-CB 3.42Å; R289-A545 PolarHBondContact NH1-O 2.91Å; W541-A545 PolarHBondContact O-N 3.45Å; T542-A545 PolarHBondContact O-N 3.11Å; N543-A545 VanDerWaalsContact C-N 3.33Å; N543-A545 PolarHBondContact O-N 2.9Å
546	K	97.9	Very high	97.1	Very high	32 Å²	32	24.6 Å²	24.6	14%	0.139	14%	0.137	C	C	.	.	H	α-helix	trans	-67.2	-41.8	177.6	-73.5	155.1	-167.2	159.3	0	113.1	P181 G208 R261 T542 N543 F544 P553	P181-K546 HydrophobicContact CB-CG 4.49Å; P181-K546 HydrophobicContact CG-CB 4.21Å; P181-K546 HydrophobicContact CG-CG 3.54Å; G208-K546 WeakPolarHBondContact O-CE 3.28Å; G208-K546 PolarHBondContact O-NZ 3.43Å; R261-K546 PolarHBondContact NH1-O 2.99Å; T542-K546 WeakPolarHBondContact O-CB 3.31Å; T542-K546 WeakPolarHBondContact O-CD 3.25Å; T542-K546 WeakPolarHBondContact O-CG 3.47Å; T542-K546 PolarHBondContact O-N 3.42Å; T542-K546 PolarHBondContact OG1-NZ 2.92Å; T542-K546 VanDerWaalsContact OG1-NZ 3.1Å; N543-K546 WeakPolarHBondContact O-CB 3.35Å; N543-K546 PolarHBondContact O-N 3.22Å; N543-K546 VanDerWaalsContact O-N 3.09Å; F544-K546 VanDerWaalsContact C-N 3.32Å; F544-K546 PolarHBondContact O-N 2.82Å; K546-P553 HydrophobicContact CD-CG 4.14Å
547	T	97.7	Very high	96.5	Very high	59 Å²	59	27.9 Å²	27.9	36%	0.362	16%	0.155	S	C	.	.	H	α-helix	trans	-136.1	-16.9	-162.2	68.6	0	0	0	0	116.8	N543 F544 D549 K552	N543-T547 PolarHBondContact O-N 3.27Å; N543-T547 PolarHBondContact O-OG1 2.7Å; N543-T547 VanDerWaalsContact O-OG1 3.1Å; F544-T547 PolarHBondContact O-N 3.15Å; T547-D549 VanDerWaalsContact C-N 3.28Å; T547-D549 PolarHBondContact OG1-N 3.26Å; T547-D549 VanDerWaalsContact OG1-N 3.09Å; T547-D549 PolarHBondContact OG1-O 3.03Å; T547-D549 VanDerWaalsContact OG1-O 3.07Å; T547-K552 HydrophobicContact CG2-CB 4.26Å; T547-K552 WeakPolarHBondContact CG2-O 3.32Å; T547-K552 PolarHBondContact OG1-O 3.38Å
548	G	97.6	Very high	95.8	Very high	5 Å²	5	30.9 Å²	30.9	5%	0.052	17%	0.174	C	C	.	.	S	Bend	trans	84.5	-2.9	-167.7	0	0	0	0	0	114.3	R289 D380 Y482 F544	R289-G548 VanDerWaalsContact NE-N 3.13Å; D380-G548 VanDerWaalsContact OD2-CA 3.29Å; D380-G548 WeakPolarHBondContact OD2-CA 3.44Å; Y482-G548 VanDerWaalsContact CE2-O 3.32Å; Y482-G548 WeakPolarHBondContact CE2-O 3.32Å; F544-G548 WeakPolarHBondContact CD2-O 3.49Å; F544-G548 WeakPolarHBondContact CE2-O 3.39Å; F544-G548 WeakPolarHBondContact O-CA 3.06Å; F544-G548 PolarHBondContact O-N 2.69Å
549	D	98.2	Very high	95	Very high	31 Å²	31	35.5 Å²	35.5	17%	0.166	19%	0.194	C	C	.	.			trans	-122.1	114.9	177	-174.1	-4.2	0	0	0	108.8	Y482 N543 T547 N551 K552	Y482-D549 PolarHBondContact OH-OD1 3.44Å; Y482-D549 VanDerWaalsContact OH-OD1 3.08Å; N543-D549 CarbonylContact C-O 3.52Å; T547-D549 VanDerWaalsContact C-N 3.28Å; T547-D549 PolarHBondContact OG1-N 3.26Å; T547-D549 VanDerWaalsContact OG1-N 3.09Å; T547-D549 PolarHBondContact OG1-O 3.03Å; T547-D549 VanDerWaalsContact OG1-O 3.07Å; D549-N551 PolarHBondContact O-N 3.28Å; D549-N551 WeakPolarHBondContact OD1-CB 3.31Å; D549-N551 PolarHBondContact OD1-N 2.97Å; D549-N551 PolarHBondContact OD1-ND2 3.15Å; D549-K552 HydrophobicContact CB-CB 4.35Å; D549-K552 HydrophobicContact CB-CD 4.41Å; D549-K552 HydrophobicContact CB-CG 4.47Å; D549-K552 PolarHBondContact O-N 3.02Å; D549-K552 WeakPolarHBondContact OD2-CD 3.41Å; D549-K552 VanDerWaalsContact OD2-CE 3.3Å; D549-K552 WeakPolarHBondContact OD2-CE 3.16Å; D549-K552 IonicContact OD2-NZ 3.86Å
550	P	98.3	Very high	93.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.7	-179.1	28.3	-34.4	0	0	0	112.6	M382 Y482 Y540 N543 F544 K552 W573	M382-P550 HydrophobicContact CE-CB 3.7Å; M382-P550 HydrophobicContact CE-CG 4.26Å; Y482-P550 HydrophobicContact CD1-CG 3.54Å; Y482-P550 HydrophobicContact CD2-CG 4.45Å; Y482-P550 HydrophobicContact CE1-CG 3.63Å; Y482-P550 HydrophobicContact CG-CG 3.96Å; Y540-P550 HydrophobicContact CD1-CB 3.91Å; Y540-P550 WeakPolarHBondContact CD1-O 3.49Å; Y540-P550 HydrophobicContact CG-CB 4.47Å; N543-P550 WeakPolarHBondContact CB-O 3.48Å; N543-P550 PolarHBondContact ND2-O 2.98Å; F544-P550 HydrophobicContact CB-CB 4.29Å; P550-K552 VanDerWaalsContact C-N 3.33Å; P550-W573 HydrophobicContact CB-CD2 4.37Å; P550-W573 HydrophobicContact CB-CE3 3.74Å; P550-W573 HydrophobicContact CB-CZ3 4.18Å; P550-W573 HydrophobicContact CG-CB 4.13Å; P550-W573 HydrophobicContact CG-CD2 3.89Å; P550-W573 HydrophobicContact CG-CE3 3.78Å; P550-W573 HydrophobicContact CG-CG 4.08Å; P550-W573 HydrophobicContact CG-CZ3 4.47Å
551	N	97.6	Very high	92.6	Very high	46 Å²	46	45.7 Å²	45.7	25%	0.246	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-4.1	177.4	-51.8	-78.2	0	0	0	113.8	D549 W573	D549-N551 PolarHBondContact O-N 3.28Å; D549-N551 WeakPolarHBondContact OD1-CB 3.31Å; D549-N551 PolarHBondContact OD1-N 2.97Å; D549-N551 PolarHBondContact OD1-ND2 3.15Å; N551-W573 PolarHBondContact ND2-O 3.49Å; N551-W573 PolarHBondContact OD1-N 3.35Å
552	K	94.4	Very high	91.7	Very high	118 Å²	118	45.8 Å²	45.8	51%	0.513	24%	0.239	S	C	.	.	S	Bend	trans	-139.3	144	-170.1	-63.2	-179.4	-173.1	168.8	0	114.2	N543 T547 D549 P550	N543-K552 CarbonylContact C-O 3.58Å; N543-K552 VanDerWaalsContact C-O 3.31Å; N543-K552 WeakPolarHBondContact CA-O 3.44Å; N543-K552 WeakPolarHBondContact CB-O 3.35Å; N543-K552 VanDerWaalsContact CG-O 3.27Å; N543-K552 PolarHBondContact ND2-N 2.93Å; N543-K552 PolarHBondContact OD1-O 2.7Å; T547-K552 HydrophobicContact CG2-CB 4.26Å; T547-K552 WeakPolarHBondContact CG2-O 3.32Å; T547-K552 PolarHBondContact OG1-O 3.38Å; D549-K552 HydrophobicContact CB-CB 4.35Å; D549-K552 HydrophobicContact CB-CD 4.41Å; D549-K552 HydrophobicContact CB-CG 4.47Å; D549-K552 PolarHBondContact O-N 3.02Å; D549-K552 WeakPolarHBondContact OD2-CD 3.41Å; D549-K552 VanDerWaalsContact OD2-CE 3.3Å; D549-K552 WeakPolarHBondContact OD2-CE 3.16Å; D549-K552 IonicContact OD2-NZ 3.86Å; P550-K552 VanDerWaalsContact C-N 3.33Å
553	P	95.6	Very high	91	Very high	84 Å²	84	49.1 Å²	49.1	55%	0.545	26%	0.259	S	S	.	.	S	Bend	cis	-91.6	-12	5.5	36.1	-35.2	0	0	0	113.9	N543 K546 P555	N543-P553 WeakPolarHBondContact OD1-CD 3.46Å; K546-P553 HydrophobicContact CD-CG 4.14Å; P553-P555 WeakPolarHBondContact O-CD 3.38Å
554	V	92.9	Very high	90.4	Very high	45 Å²	45	54.2 Å²	54.2	27%	0.273	28%	0.282	S	S	.	.	S	Bend	trans	-90	116.7	-171.8	-173.1	0	0	0	0	110.3	T539 N543	T539-V554 HydrophobicContact CG2-CB 4.21Å; T539-V554 HydrophobicContact CG2-CG1 4.24Å; N543-V554 PolarHBondContact ND2-O 3.47Å; N543-V554 WeakPolarHBondContact OD1-CB 3.41Å; N543-V554 PolarHBondContact OD1-N 3.27Å
555	P	91.9	Very high	89.8	Confident	73 Å²	73	57.3 Å²	57.3	47%	0.474	31%	0.307	S	S	.	.			trans	-69	159	173.3	29.1	-34.9	0	0	0	111.9	P553 D557	P553-P555 WeakPolarHBondContact O-CD 3.38Å; P555-D557 WeakPolarHBondContact CG-OD2 3.33Å; P555-D557 PolarHBondContact O-N 2.93Å
556	Q	90.8	Very high	89.4	Confident	15 Å²	15	57.6 Å²	57.6	7%	0.07	31%	0.309	C	S	.	.			trans	-79.7	50.3	-176.5	-74	-72.8	-4.9	0	0	113	V536 Y540 N566 F568 E569	V536-Q556 PolarHBondContact O-NE2 2.67Å; V536-Q556 VanDerWaalsContact O-NE2 3.1Å; Y540-Q556 VanDerWaalsContact CD2-NE2 3.33Å; Y540-Q556 HydrophobicContact CE1-CG 4.06Å; Y540-Q556 VanDerWaalsContact CZ-NE2 3.29Å; Q556-N566 VanDerWaalsContact C-ND2 3.35Å; Q556-N566 VanDerWaalsContact O-CG 3.28Å; Q556-N566 PolarHBondContact O-ND2 2.88Å; Q556-N566 PolarHBondContact OE1-ND2 2.89Å; Q556-F568 HydrophobicContact CB-CB 4.26Å; Q556-F568 HydrophobicContact CG-CB 4.29Å; Q556-E569 WeakPolarHBondContact O-CA 3.31Å; Q556-E569 WeakPolarHBondContact O-CG 3.47Å
557	D	85.6	Confident	89.2	Confident	69 Å²	69	61.4 Å²	61.4	37%	0.369	32%	0.322	S	S	.	.			trans	-76.9	149.2	-176	-43	-43	0	0	0	113.7	P555 K559 H562	P555-D557 WeakPolarHBondContact CG-OD2 3.33Å; P555-D557 PolarHBondContact O-N 2.93Å; D557-K559 HydrophobicContact CB-CG 4.49Å; D557-K559 PolarHBondContact O-N 3.12Å; D557-K559 VanDerWaalsContact O-N 3.09Å; D557-K559 IonicContact OD2-NZ 2.72Å; D557-H562 PolarHBondContact O-CE1 3.37Å
558	T	83.9	Confident	89	Confident	64 Å²	64	58.6 Å²	58.6	39%	0.393	31%	0.305	S	S	.	.			trans	-65.8	105.9	163.6	-62	0	0	0	0	112	A565 N566 E569	T558-A565 WeakPolarHBondContact OG1-CA 3.08Å; T558-N566 PolarHBondContact OG1-N 3.33Å; T558-E569 WeakPolarHBondContact CB-OE1 3.43Å; T558-E569 PolarHBondContact N-OE1 3.2Å; T558-E569 PolarHBondContact OG1-OE1 2.95Å
559	K	81.7	Confident	88.6	Confident	97 Å²	97	63.5 Å²	63.5	42%	0.422	33%	0.326	S	S	.	.			trans	-112.7	157.1	170	-61.6	170.5	-175.7	165.7	0	111.1	D557 I561 H562	D557-K559 HydrophobicContact CB-CG 4.49Å; D557-K559 PolarHBondContact O-N 3.12Å; D557-K559 VanDerWaalsContact O-N 3.09Å; D557-K559 IonicContact OD2-NZ 2.72Å; K559-I561 HydrophobicContact CB-CG2 4.12Å; K559-I561 PolarHBondContact O-N 2.88Å; K559-H562 PolarHBondContact N-CE1 3.17Å; K559-H562 PolarHBondContact N-ND1 2.93Å; K559-H562 WeakPolarHBondContact O-CB 3.04Å; K559-H562 PolarHBondContact O-N 3.11Å; K559-H562 PolarHBondContact O-ND1 3.47Å
560	F	71.1	Confident	88.1	Confident	199 Å²	199	71.2 Å²	71.2	87%	0.873	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-48.4	-37.8	-178.3	-73.5	-72.3	0	0	0	114.6	I62 H562 T563	I62-F560 HydrophobicContact CD1-CB 4.29Å; F560-H562 PolarHBondContact O-N 3.27Å; F560-H562 VanDerWaalsContact O-N 3.1Å; F560-T563 PolarHBondContact O-N 3.33Å
561	I	76.3	Confident	87.9	Confident	20 Å²	20	72.4 Å²	72.4	10%	0.103	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-54.9	-25.5	177.8	-167.1	61.8	0	0	0	114.3	I62 L63 Y207 M515 V531 K559 T563	I62-I561 HydrophobicContact CB-CD1 4.12Å; I62-I561 HydrophobicContact CD1-CB 4.38Å; I62-I561 HydrophobicContact CD1-CD1 4.11Å; I62-I561 HydrophobicContact CG2-CB 4.35Å; I62-I561 HydrophobicContact CG2-CD1 4.09Å; L63-I561 HydrophobicContact CD2-CD1 4.34Å; L63-I561 HydrophobicContact CG-CD1 4.44Å; Y207-I561 HydrophobicContact CD2-CG1 4.12Å; Y207-I561 HydrophobicContact CE2-CG1 3.95Å; Y207-I561 HydrophobicContact CE2-CG2 3.92Å; M515-I561 HydrophobicContact CE-CG1 3.93Å; M515-I561 HydrophobicContact SD-CD1 3.99Å; M515-I561 HydrophobicContact SD-CG1 4.01Å; V531-I561 WeakPolarHBondContact CG1-O 3.47Å; K559-I561 HydrophobicContact CB-CG2 4.12Å; K559-I561 PolarHBondContact O-N 2.88Å; I561-T563 VanDerWaalsContact C-N 3.35Å
562	H	80.2	Confident	87.7	Confident	3 Å²	3	73.3 Å²	73.3	1%	0.014	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-75.7	-22	179.6	-58.7	83.7	0	0	0	112.8	M532 A535 D557 K559 F560 K564	M532-H562 HydrophobicContact CB-CB 4.3Å; M532-H562 WeakPolarHBondContact CB-O 3.5Å; M532-H562 HydrophobicContact CG-CB 4.23Å; M532-H562 PolarHBondContact N-O 3.41Å; A535-H562 WeakPolarHBondContact CB-CD2 3.37Å; D557-H562 PolarHBondContact O-CE1 3.37Å; K559-H562 PolarHBondContact N-CE1 3.17Å; K559-H562 PolarHBondContact N-ND1 2.93Å; K559-H562 WeakPolarHBondContact O-CB 3.04Å; K559-H562 PolarHBondContact O-N 3.11Å; K559-H562 PolarHBondContact O-ND1 3.47Å; F560-H562 PolarHBondContact O-N 3.27Å; F560-H562 VanDerWaalsContact O-N 3.1Å; H562-K564 VanDerWaalsContact CB-O 3.26Å; H562-K564 WeakPolarHBondContact CB-O 3.33Å; H562-K564 PolarHBondContact O-N 3.26Å
563	T	83.3	Confident	87.9	Confident	71 Å²	71	67.9 Å²	67.9	44%	0.436	36%	0.359	S	S	.	.	S	Bend	trans	58.6	-6.8	-173.7	78.7	0	0	0	0	116.9	K528 V531 F560 I561	K528-T563 WeakPolarHBondContact CB-OG1 3.25Å; K528-T563 PolarHBondContact O-OG1 3.21Å; V531-T563 HydrophobicContact CB-CG2 4.49Å; V531-T563 HydrophobicContact CG1-CG2 3.93Å; F560-T563 PolarHBondContact O-N 3.33Å; I561-T563 VanDerWaalsContact C-N 3.35Å
564	K	86.6	Confident	88	Confident	107 Å²	107	66.1 Å²	66.1	47%	0.465	35%	0.349	S	S	.	.	S	Bend	trans	-144.8	160.9	176.7	-80.4	-71.8	-174.2	175.7	0	108.8	K528 M532 H562 N566	K528-K564 HydrophobicContact CB-CG 3.79Å; M532-K564 HydrophobicContact CB-CB 4.18Å; M532-K564 HydrophobicContact CG-CB 4.4Å; H562-K564 VanDerWaalsContact CB-O 3.26Å; H562-K564 WeakPolarHBondContact CB-O 3.33Å; H562-K564 PolarHBondContact O-N 3.26Å; K564-N566 PolarHBondContact O-N 3.04Å
565	A	84.9	Confident	88.3	Confident	65 Å²	65	69.4 Å²	69.4	54%	0.537	36%	0.359	S	S	.	.			trans	-58.4	132.5	170.8	0	0	0	0	0	110.8	T558 R567	T558-A565 WeakPolarHBondContact OG1-CA 3.08Å; A565-R567 PolarHBondContact O-N 3Å
566	N	91.7	Very high	88.6	Confident	6 Å²	6	66.4 Å²	66.4	3%	0.032	34%	0.339	C	S	.	.			trans	-70	120.9	176.3	-173	-17.9	0	0	0	108.8	V536 Q556 T558 K564 F568 E569	V536-N566 WeakPolarHBondContact CG2-ND2 3.47Å; V536-N566 WeakPolarHBondContact CG2-OD1 3.46Å; Q556-N566 VanDerWaalsContact C-ND2 3.35Å; Q556-N566 VanDerWaalsContact O-CG 3.28Å; Q556-N566 PolarHBondContact O-ND2 2.88Å; Q556-N566 PolarHBondContact OE1-ND2 2.89Å; T558-N566 PolarHBondContact OG1-N 3.33Å; K564-N566 PolarHBondContact O-N 3.04Å; N566-F568 PolarHBondContact O-N 3.5Å; N566-F568 WeakPolarHBondContact OD1-CB 3.36Å; N566-F568 PolarHBondContact OD1-N 2.86Å; N566-E569 HydrophobicContact CB-CG 4.19Å
567	R	92.4	Very high	88.9	Confident	113 Å²	113	67.9 Å²	67.9	43%	0.426	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-3.2	-178	-57.5	-173.4	-168.1	-166	5.7	113.2	N529 M532 A565 L588 P590	N529-R567 PolarHBondContact OD1-NH2 3.42Å; M532-R567 HydrophobicContact CE-CG 4.06Å; A565-R567 PolarHBondContact O-N 3Å; R567-L588 WeakPolarHBondContact CD-O 3.39Å; R567-L588 PolarHBondContact NH1-O 3.42Å; R567-P590 HydrophobicContact CB-CG 3.87Å; R567-P590 WeakPolarHBondContact O-CG 3.48Å
568	F	94.6	Very high	89.3	Confident	0 Å²	0	67 Å²	67	0%	0	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	5.6	-175.8	-63.4	-113.8	0	0	0	112.8	L533 V536 Y540 Q556 N566 E570 V571 L584 I586 P590	L533-F568 HydrophobicContact CD1-CE2 3.78Å; L533-F568 HydrophobicContact CD1-CZ 3.7Å; V536-F568 HydrophobicContact CB-CD2 4.17Å; V536-F568 HydrophobicContact CB-CE2 4.28Å; V536-F568 HydrophobicContact CG1-CB 4.16Å; V536-F568 HydrophobicContact CG1-CD1 3.74Å; V536-F568 HydrophobicContact CG1-CD2 3.58Å; V536-F568 HydrophobicContact CG1-CE1 3.82Å; V536-F568 HydrophobicContact CG1-CE2 3.71Å; V536-F568 HydrophobicContact CG1-CG 3.58Å; V536-F568 HydrophobicContact CG1-CZ 3.8Å; V536-F568 HydrophobicContact CG2-CB 4.41Å; V536-F568 HydrophobicContact CG2-CD2 3.65Å; V536-F568 HydrophobicContact CG2-CE2 4.11Å; V536-F568 HydrophobicContact CG2-CG 4.21Å; Y540-F568 AromaticContact CE2-CD1 3.76Å; Y540-F568 HydrophobicContact CE2-CD1 3.76Å; Y540-F568 HydrophobicContact CE2-CE1 4.13Å; Y540-F568 HydrophobicContact CE2-CG 4.47Å; Q556-F568 HydrophobicContact CB-CB 4.26Å; Q556-F568 HydrophobicContact CG-CB 4.29Å; N566-F568 PolarHBondContact O-N 3.5Å; N566-F568 WeakPolarHBondContact OD1-CB 3.36Å; N566-F568 PolarHBondContact OD1-N 2.86Å; F568-E570 PolarHBondContact O-N 3.34Å; F568-V571 HydrophobicContact CB-CB 4.28Å; F568-V571 HydrophobicContact CD1-CB 4.44Å; F568-V571 HydrophobicContact CD1-CG1 4.45Å; F568-V571 PolarHBondContact O-N 3.36Å; F568-L584 HydrophobicContact CE1-CD2 4.45Å; F568-I586 HydrophobicContact CZ-CG2 4.3Å; F568-P590 HydrophobicContact CD1-CB 3.43Å; F568-P590 VanDerWaalsContact CD1-CB 3.43Å; F568-P590 HydrophobicContact CD1-CG 3.99Å; F568-P590 HydrophobicContact CD2-CB 3.96Å; F568-P590 HydrophobicContact CD2-CG 3.71Å; F568-P590 HydrophobicContact CE1-CB 3.26Å; F568-P590 HydrophobicContact CE1-CG 4.12Å; F568-P590 HydrophobicContact CE2-CB 3.78Å; F568-P590 HydrophobicContact CE2-CG 3.81Å; F568-P590 HydrophobicContact CG-CB 3.82Å; F568-P590 HydrophobicContact CG-CG 3.82Å; F568-P590 HydrophobicContact CZ-CB 3.46Å; F568-P590 VanDerWaalsContact CZ-CB 3.46Å; F568-P590 HydrophobicContact CZ-CG 4.04Å
569	E	89.9	Confident	89.9	Confident	107 Å²	107	73.9 Å²	73.9	50%	0.5	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-42.9	178.9	-79.3	175.6	177	0	0	113.1	Q556 T558 N566	Q556-E569 WeakPolarHBondContact O-CA 3.31Å; Q556-E569 WeakPolarHBondContact O-CG 3.47Å; T558-E569 WeakPolarHBondContact CB-OE1 3.43Å; T558-E569 PolarHBondContact N-OE1 3.2Å; T558-E569 PolarHBondContact OG1-OE1 2.95Å; N566-E569 HydrophobicContact CB-CG 4.19Å
570	E	87.3	Confident	90.6	Very high	194 Å²	194	72.6 Å²	72.6	91%	0.907	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	7.8	179.5	-59.1	-176.2	161.1	0	0	113.5	F568	F568-E570 PolarHBondContact O-N 3.34Å
571	V	93.1	Very high	91.9	Very high	25 Å²	25	64.3 Å²	64.3	15%	0.152	33%	0.326	C	S	.	.			trans	-105.5	92.9	-172.2	-174.9	0	0	0	0	110.8	Y540 F568 L584 P590	Y540-V571 PolarHBondContact OH-O 2.97Å; F568-V571 HydrophobicContact CB-CB 4.28Å; F568-V571 HydrophobicContact CD1-CB 4.44Å; F568-V571 HydrophobicContact CD1-CG1 4.45Å; F568-V571 PolarHBondContact O-N 3.36Å; V571-L584 HydrophobicContact CG1-CD1 3.58Å; V571-P590 HydrophobicContact CG2-CB 4.3Å; V571-P590 HydrophobicContact CG2-CG 4.2Å
572	A	94.8	Very high	93	Very high	65 Å²	65	65.5 Å²	65.5	54%	0.537	33%	0.332	S	S	.	.			trans	-78.2	125.6	170	0	0	0	0	0	111.4	S574 V592	A572-S574 PolarHBondContact O-N 3.12Å; A572-V592 WeakPolarHBondContact O-CG2 3.37Å
573	W	97.8	Very high	93.8	Very high	3 Å²	3	66.3 Å²	66.3	1%	0.011	34%	0.335	C	S	.	.			trans	-75	104.7	174.6	-168.3	-14.1	0	0	0	109.6	M382 Y482 F483 Y484 Y540 W541 P550 N551 L584	M382-W573 HydrophobicContact CE-CE3 4.41Å; M382-W573 HydrophobicContact CE-CH2 3.68Å; M382-W573 HydrophobicContact CE-CZ3 3.63Å; M382-W573 HydrophobicContact CG-CH2 3.67Å; M382-W573 HydrophobicContact CG-CZ2 4.05Å; M382-W573 HydrophobicContact SD-CH2 3.49Å; M382-W573 WeakPolarHBondContact SD-CH2 3.34Å; M382-W573 HydrophobicContact SD-CZ2 4.42Å; M382-W573 HydrophobicContact SD-CZ3 3.91Å; Y482-W573 AromaticContact CD1-CD1 3.92Å; Y482-W573 HydrophobicContact CD1-CD2 4.49Å; Y482-W573 HydrophobicContact CD1-CG 4.17Å; F483-W573 PolarHBondContact O-NE1 3.24Å; Y484-W573 AromaticContact CD1-CH2 3.92Å; Y484-W573 HydrophobicContact CD1-CH2 3.92Å; Y484-W573 HydrophobicContact CD1-CZ2 4.17Å; Y484-W573 HydrophobicContact CG-CH2 4.28Å; Y484-W573 HydrophobicContact CG-CZ2 4.4Å; Y540-W573 AromaticContact CD1-CE3 3.88Å; Y540-W573 HydrophobicContact CD1-CE3 3.88Å; Y540-W573 HydrophobicContact CD2-CE3 4.3Å; Y540-W573 HydrophobicContact CD2-CZ3 4.47Å; Y540-W573 HydrophobicContact CE1-CB 4.29Å; Y540-W573 HydrophobicContact CE1-CE3 4.31Å; Y540-W573 AromaticContact CG-CE3 3.87Å; Y540-W573 HydrophobicContact CG-CE3 3.87Å; Y540-W573 HydrophobicContact CG-CZ3 4.11Å; W541-W573 HydrophobicContact CZ3-CH2 4.23Å; W541-W573 HydrophobicContact CZ3-CZ3 4.06Å; P550-W573 HydrophobicContact CB-CD2 4.37Å; P550-W573 HydrophobicContact CB-CE3 3.74Å; P550-W573 HydrophobicContact CB-CZ3 4.18Å; P550-W573 HydrophobicContact CG-CB 4.13Å; P550-W573 HydrophobicContact CG-CD2 3.89Å; P550-W573 HydrophobicContact CG-CE3 3.78Å; P550-W573 HydrophobicContact CG-CG 4.08Å; P550-W573 HydrophobicContact CG-CZ3 4.47Å; N551-W573 PolarHBondContact ND2-O 3.49Å; N551-W573 PolarHBondContact OD1-N 3.35Å; W573-L584 HydrophobicContact CB-CD2 4.21Å; W573-L584 HydrophobicContact CD2-CB 3.82Å; W573-L584 HydrophobicContact CD2-CD2 3.63Å; W573-L584 HydrophobicContact CD2-CG 4.37Å; W573-L584 HydrophobicContact CE3-CB 4.5Å; W573-L584 HydrophobicContact CE3-CD2 3.53Å; W573-L584 HydrophobicContact CG-CB 3.83Å; W573-L584 HydrophobicContact CG-CD2 3.94Å; W573-L584 HydrophobicContact CG-CG 4.44Å; W573-L584 HydrophobicContact CZ2-CB 4.45Å; W573-L584 HydrophobicContact CZ3-CD2 4.13Å
574	S	97.8	Very high	94.6	Very high	47 Å²	47	63 Å²	63	33%	0.329	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-71.4	148.3	178.3	-61.7	0	0	0	0	112.1	A572	A572-S574 PolarHBondContact O-N 3.12Å
575	K	97.9	Very high	95.1	Very high	114 Å²	114	58.5 Å²	58.5	50%	0.496	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-62.8	139	172.6	-71.2	-172.6	175.8	-166.7	0	110.9	Y482	Y482-K575 HydrophobicContact CD1-CG 4.42Å; Y482-K575 HydrophobicContact CE1-CB 4.5Å; Y482-K575 HydrophobicContact CE1-CG 3.69Å; Y482-K575 HydrophobicContact CE2-CG 4.13Å; Y482-K575 WeakPolarHBondContact OH-CE 3.42Å
576	Y	98.5	Very high	95.8	Very high	11 Å²	11	55.4 Å²	55.4	4%	0.043	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-73.9	143.2	169.7	-176.1	-88.5	0	0	0	110.1	A471 D472 A475 T481 F483 Q581 L582	A471-Y576 HydrophobicContact CB-CD1 3.92Å; A471-Y576 HydrophobicContact CB-CE1 3.59Å; A471-Y576 HydrophobicContact CB-CE2 4.48Å; D472-Y576 PolarHBondContact OD1-OH 3.5Å; A475-Y576 HydrophobicContact CB-CD1 3.94Å; A475-Y576 HydrophobicContact CB-CE1 4.43Å; T481-Y576 HydrophobicContact CG2-CD1 4.02Å; T481-Y576 HydrophobicContact CG2-CG 4.28Å; T481-Y576 PolarHBondContact O-N 2.69Å; F483-Y576 HydrophobicContact CB-CD2 3.52Å; F483-Y576 HydrophobicContact CB-CE2 4.19Å; F483-Y576 HydrophobicContact CB-CG 4.06Å; F483-Y576 HydrophobicContact CG-CD2 4.2Å; F483-Y576 HydrophobicContact CG-CE2 4.41Å; Y576-Q581 HydrophobicContact CE2-CB 3.83Å; Y576-Q581 HydrophobicContact CE2-CG 4.17Å; Y576-Q581 WeakPolarHBondContact OH-CG 3.43Å; Y576-Q581 PolarHBondContact OH-NE2 3.38Å; Y576-L582 WeakPolarHBondContact CD2-O 3.46Å
577	N	96.9	Very high	96	Very high	45 Å²	45	55.1 Å²	55.1	24%	0.241	27%	0.268	C	S	.	.			trans	-149.3	157.3	167	74.5	72	0	0	0	109.7	R579 D580 Q581	N577-R579 PolarHBondContact O-N 2.64Å; N577-R579 VanDerWaalsContact O-N 3.08Å; N577-R579 WeakPolarHBondContact OD1-CA 3.42Å; N577-R579 VanDerWaalsContact OD1-CB 3.31Å; N577-R579 WeakPolarHBondContact OD1-CB 3.44Å; N577-R579 PolarHBondContact OD1-N 2.9Å; N577-D580 PolarHBondContact ND2-OD2 3.41Å; N577-D580 PolarHBondContact OD1-N 2.97Å; N577-D580 PolarHBondContact OD1-OD2 3.07Å; N577-Q581 VanDerWaalsContact O-CA 3.28Å; N577-Q581 WeakPolarHBondContact O-CA 3.4Å; N577-Q581 PolarHBondContact O-N 3.18Å
578	P	95.6	Very high	96.1	Very high	52 Å²	52	52.1 Å²	52.1	34%	0.338	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-8.6	-172.5	-20.4	34.4	0	0	0	115.2	D472 A475 R476	D472-P578 WeakPolarHBondContact O-CG 3.28Å; A475-P578 HydrophobicContact CB-CG 4.17Å; R476-P578 HydrophobicContact CB-CG 4.44Å
579	R	95.4	Very high	96.1	Very high	208 Å²	208	59.5 Å²	59.5	79%	0.785	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-45.3	-179.4	178.4	-169.8	178.4	-178.5	-0.2	112.5	N577	N577-R579 PolarHBondContact O-N 2.64Å; N577-R579 VanDerWaalsContact O-N 3.08Å; N577-R579 WeakPolarHBondContact OD1-CA 3.42Å; N577-R579 VanDerWaalsContact OD1-CB 3.31Å; N577-R579 WeakPolarHBondContact OD1-CB 3.44Å; N577-R579 PolarHBondContact OD1-N 2.9Å
580	D	97.2	Very high	96.3	Very high	69 Å²	69	55.4 Å²	55.4	37%	0.369	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-18.8	-176.3	-49.7	-47.7	0	0	0	112	N577 L582 D594	N577-D580 PolarHBondContact ND2-OD2 3.41Å; N577-D580 PolarHBondContact OD1-N 2.97Å; N577-D580 PolarHBondContact OD1-OD2 3.07Å; D580-L582 HydrophobicContact CB-CD1 4.46Å; D580-L582 HydrophobicContact CB-CD2 4.31Å; D580-L582 HydrophobicContact CB-CG 3.91Å; D580-L582 PolarHBondContact O-N 3.22Å; D580-D594 WeakPolarHBondContact O-CB 3.4Å
581	Q	97.9	Very high	96.7	Very high	25 Å²	25	50.1 Å²	50.1	12%	0.117	25%	0.247	C	C	.	.			trans	44.2	40.9	178.2	-61.9	-164.5	-32.9	0	0	114.2	D472 Y576 N577 H595	D472-Q581 PolarHBondContact OD1-NE2 3.08Å; Y576-Q581 HydrophobicContact CE2-CB 3.83Å; Y576-Q581 HydrophobicContact CE2-CG 4.17Å; Y576-Q581 WeakPolarHBondContact OH-CG 3.43Å; Y576-Q581 PolarHBondContact OH-NE2 3.38Å; N577-Q581 VanDerWaalsContact O-CA 3.28Å; N577-Q581 WeakPolarHBondContact O-CA 3.4Å; N577-Q581 PolarHBondContact O-N 3.18Å; Q581-H595 PolarHBondContact O-N 2.87Å; Q581-H595 VanDerWaalsContact O-N 3.14Å; Q581-H595 PolarHBondContact OE1-CD2 2.85Å; Q581-H595 VanDerWaalsContact OE1-CD2 3.31Å
582	L	98.6	Very high	96.9	Very high	46 Å²	46	50.8 Å²	50.8	24%	0.241	25%	0.251	C	S	.	.			trans	-68.7	131.1	-176.9	-60.4	-178.2	0	0	0	111.9	Y576 D580 V592 R593 D594	Y576-L582 WeakPolarHBondContact CD2-O 3.46Å; D580-L582 HydrophobicContact CB-CD1 4.46Å; D580-L582 HydrophobicContact CB-CD2 4.31Å; D580-L582 HydrophobicContact CB-CG 3.91Å; D580-L582 PolarHBondContact O-N 3.22Å; L582-V592 HydrophobicContact CB-CG1 4.21Å; L582-V592 HydrophobicContact CD2-CG1 4.27Å; L582-R593 CarbonylContact C-O 3.52Å; L582-R593 WeakPolarHBondContact CA-O 3.5Å; L582-D594 HydrophobicContact CD2-CB 3.95Å
583	Y	98.7	Very high	97	Very high	20 Å²	20	53 Å²	53	8%	0.078	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	154.7	176.6	75.6	-80.9	0	0	0	112.6	F483 A485 H585 V592 R593 Y596	F483-Y583 HydrophobicContact CD1-CG 4.44Å; F483-Y583 CarbonylContact O-C 3.41Å; F483-Y583 VanDerWaalsContact O-CA 3.25Å; F483-Y583 WeakPolarHBondContact O-CA 3.46Å; F483-Y583 WeakPolarHBondContact O-CB 3.33Å; A485-Y583 HydrophobicContact CB-CD2 3.83Å; A485-Y583 HydrophobicContact CB-CE2 3.72Å; Y583-H585 HydrophobicContact CE2-CB 4.21Å; Y583-V592 WeakPolarHBondContact O-CA 3.41Å; Y583-R593 HydrophobicContact CD1-CB 3.99Å; Y583-R593 VanDerWaalsContact CD1-O 3.3Å; Y583-R593 WeakPolarHBondContact CD1-O 3.48Å; Y583-R593 HydrophobicContact CE1-CB 3.29Å; Y583-R593 HydrophobicContact CE2-CB 4.14Å; Y583-R593 PolarHBondContact N-O 3.37Å; Y583-R593 PolarHBondContact O-N 2.9Å; Y583-R593 WeakPolarHBondContact OH-CB 3.31Å; Y583-Y596 HydrophobicContact CD2-CD2 4.39Å; Y583-Y596 AromaticContact CE1-CD2 3.95Å; Y583-Y596 HydrophobicContact CE1-CD2 3.95Å; Y583-Y596 HydrophobicContact CE1-CG 4.3Å; Y583-Y596 AromaticContact CE2-CD2 3.7Å; Y583-Y596 HydrophobicContact CE2-CD2 3.7Å; Y583-Y596 HydrophobicContact CE2-CE2 4.27Å; Y583-Y596 HydrophobicContact CE2-CG 4.37Å; Y583-Y596 AromaticContact CZ-CD2 3.45Å; Y583-Y596 VanDerWaalsContact CZ-CD2 3.45Å
584	L	98.7	Very high	97	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	118.8	171.6	-178.7	62.2	0	0	0	110.4	F483 Y484 A485 Y540 F568 V571 W573 I586	F483-L584 PolarHBondContact O-N 2.88Å; Y484-L584 WeakPolarHBondContact CA-O 3.49Å; A485-L584 PolarHBondContact N-O 2.9Å; Y540-L584 HydrophobicContact CD2-CD2 4.23Å; Y540-L584 HydrophobicContact CE2-CD2 3.72Å; F568-L584 HydrophobicContact CE1-CD2 4.45Å; V571-L584 HydrophobicContact CG1-CD1 3.58Å; W573-L584 HydrophobicContact CB-CD2 4.21Å; W573-L584 HydrophobicContact CD2-CB 3.82Å; W573-L584 HydrophobicContact CD2-CD2 3.63Å; W573-L584 HydrophobicContact CD2-CG 4.37Å; W573-L584 HydrophobicContact CE3-CB 4.5Å; W573-L584 HydrophobicContact CE3-CD2 3.53Å; W573-L584 HydrophobicContact CG-CB 3.83Å; W573-L584 HydrophobicContact CG-CD2 3.94Å; W573-L584 HydrophobicContact CG-CG 4.44Å; W573-L584 HydrophobicContact CZ2-CB 4.45Å; W573-L584 HydrophobicContact CZ3-CD2 4.13Å; L584-I586 HydrophobicContact CB-CG1 4.46Å; L584-I586 HydrophobicContact CD2-CD1 4.22Å; L584-I586 HydrophobicContact CD2-CG1 3.76Å; L584-I586 HydrophobicContact CG-CG1 3.78Å; L584-I586 PolarHBondContact O-N 3.45Å
585	H	98.3	Very high	97	Very high	14 Å²	14	58.5 Å²	58.5	7%	0.065	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	102.3	166	171.1	-56	0	0	0	108.7	Y487 Y583 P590 R591	Y487-H585 VanDerWaalsContact CB-CE1 3.47Å; Y487-H585 WeakPolarHBondContact CB-CE1 3.34Å; Y487-H585 AromaticContact CD1-NE2 3.62Å; Y487-H585 AromaticContact CG-CD2 3.87Å; Y487-H585 AromaticContact CG-CE1 3.89Å; Y487-H585 AromaticContact CG-NE2 3.55Å; Y583-H585 HydrophobicContact CE2-CB 4.21Å; H585-P590 WeakPolarHBondContact O-CA 3.07Å; H585-R591 HydrophobicContact CB-CG 4.19Å; H585-R591 WeakPolarHBondContact CB-O 3.24Å; H585-R591 VanDerWaalsContact CD2-CZ 3.5Å; H585-R591 PolarHBondContact CD2-NH1 3Å; H585-R591 VanDerWaalsContact CD2-NH1 3.34Å; H585-R591 PolarHBondContact CD2-NH2 3.32Å; H585-R591 VanDerWaalsContact CD2-NH2 3.27Å; H585-R591 PolarHBondContact CE1-NH1 2.99Å; H585-R591 PolarHBondContact N-O 3.16Å; H585-R591 PolarHBondContact ND1-NH1 3.45Å; H585-R591 PolarHBondContact NE2-NH1 2.66Å; H585-R591 PolarHBondContact NE2-NH2 3.16Å
586	I	98.3	Very high	97	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	118.9	179.5	-59.4	178.6	0	0	0	109.5	Y484 A485 F486 Y487 L533 V537 W541 F568 L584	Y484-I586 HydrophobicContact CD2-CD1 4Å; Y484-I586 HydrophobicContact CG-CD1 3.86Å; A485-I586 PolarHBondContact O-N 2.93Å; F486-I586 HydrophobicContact CD2-CB 3.82Å; F486-I586 HydrophobicContact CD2-CD1 4.38Å; F486-I586 HydrophobicContact CD2-CG2 3.54Å; F486-I586 HydrophobicContact CE2-CB 4.31Å; F486-I586 HydrophobicContact CE2-CG2 3.51Å; Y487-I586 PolarHBondContact N-O 3.42Å; L533-I586 HydrophobicContact CD1-CG2 3.9Å; V537-I586 HydrophobicContact CG2-CG2 4.13Å; W541-I586 HydrophobicContact CH2-CD1 4.05Å; W541-I586 HydrophobicContact CZ3-CD1 3.98Å; F568-I586 HydrophobicContact CZ-CG2 4.3Å; L584-I586 HydrophobicContact CB-CG1 4.46Å; L584-I586 HydrophobicContact CD2-CD1 4.22Å; L584-I586 HydrophobicContact CD2-CG1 3.76Å; L584-I586 HydrophobicContact CG-CG1 3.78Å; L584-I586 PolarHBondContact O-N 3.45Å
587	G	95.9	Very high	96.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.25	C	C	.	.	S	Bend	trans	166.3	-169.3	176.5	0	0	0	0	0	111.6	K589 P590	G587-K589 PolarHBondContact O-N 3.47Å; G587-P590 WeakPolarHBondContact O-CD 3.49Å
588	L	94.4	Very high	96.9	Very high	49 Å²	49	53.6 Å²	53.6	26%	0.257	25%	0.25	S	C	.	.	S	Bend	trans	-70.8	-4.3	-172.4	-55.8	-171.6	0	0	0	115.8	H488 N529 M532 R567	H488-L588 WeakPolarHBondContact ND1-CG 3.42Å; N529-L588 HydrophobicContact CB-CD1 4.25Å; N529-L588 HydrophobicContact CB-CD2 3.81Å; M532-L588 HydrophobicContact CE-CD2 4.29Å; R567-L588 WeakPolarHBondContact CD-O 3.39Å; R567-L588 PolarHBondContact NH1-O 3.42Å
589	K	94.6	Very high	96.9	Very high	156 Å²	156	55.2 Å²	55.2	68%	0.678	26%	0.259	S	S	*	.	S	Bend	trans	-130.2	67	172.6	-68	178.5	-178.4	172.8	0	109	G587 R591	G587-K589 PolarHBondContact O-N 3.47Å; K589-R591 PolarHBondContact O-NH1 2.92Å
590	P	94.2	Very high	97	Very high	21 Å²	21	46.7 Å²	46.7	14%	0.136	23%	0.227	C	C	.	.			trans	-68.9	147.9	-170.6	32.2	-37.4	0	0	0	111.7	R567 F568 V571 H585 G587	R567-P590 HydrophobicContact CB-CG 3.87Å; R567-P590 WeakPolarHBondContact O-CG 3.48Å; F568-P590 HydrophobicContact CD1-CB 3.43Å; F568-P590 VanDerWaalsContact CD1-CB 3.43Å; F568-P590 HydrophobicContact CD1-CG 3.99Å; F568-P590 HydrophobicContact CD2-CB 3.96Å; F568-P590 HydrophobicContact CD2-CG 3.71Å; F568-P590 HydrophobicContact CE1-CB 3.26Å; F568-P590 HydrophobicContact CE1-CG 4.12Å; F568-P590 HydrophobicContact CE2-CB 3.78Å; F568-P590 HydrophobicContact CE2-CG 3.81Å; F568-P590 HydrophobicContact CG-CB 3.82Å; F568-P590 HydrophobicContact CG-CG 3.82Å; F568-P590 HydrophobicContact CZ-CB 3.46Å; F568-P590 VanDerWaalsContact CZ-CB 3.46Å; F568-P590 HydrophobicContact CZ-CG 4.04Å; V571-P590 HydrophobicContact CG2-CB 4.3Å; V571-P590 HydrophobicContact CG2-CG 4.2Å; H585-P590 WeakPolarHBondContact O-CA 3.07Å; G587-P590 WeakPolarHBondContact O-CD 3.49Å
591	R	95.8	Very high	97	Very high	83 Å²	83	43.8 Å²	43.8	31%	0.313	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.2	148.3	-177.4	53.3	-154.6	-165.9	-81	-5.6	109.9	H585 K589 R593	H585-R591 HydrophobicContact CB-CG 4.19Å; H585-R591 WeakPolarHBondContact CB-O 3.24Å; H585-R591 VanDerWaalsContact CD2-CZ 3.5Å; H585-R591 PolarHBondContact CD2-NH1 3Å; H585-R591 VanDerWaalsContact CD2-NH1 3.34Å; H585-R591 PolarHBondContact CD2-NH2 3.32Å; H585-R591 VanDerWaalsContact CD2-NH2 3.27Å; H585-R591 PolarHBondContact CE1-NH1 2.99Å; H585-R591 PolarHBondContact N-O 3.16Å; H585-R591 PolarHBondContact ND1-NH1 3.45Å; H585-R591 PolarHBondContact NE2-NH1 2.66Å; H585-R591 PolarHBondContact NE2-NH2 3.16Å; K589-R591 PolarHBondContact O-NH1 2.92Å; R591-R593 HydrophobicContact CG-CG 4.2Å
592	V	97.3	Very high	97	Very high	39 Å²	39	44.6 Å²	44.6	24%	0.236	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	141.9	162.4	-178.9	0	0	0	0	108.8	A572 L582 Y583	A572-V592 WeakPolarHBondContact O-CG2 3.37Å; L582-V592 HydrophobicContact CB-CG1 4.21Å; L582-V592 HydrophobicContact CD2-CG1 4.27Å; Y583-V592 WeakPolarHBondContact O-CA 3.41Å
593	R	97.4	Very high	96.9	Very high	110 Å²	110	42.8 Å²	42.8	42%	0.415	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	170.9	174.4	-77.6	-67	177.9	-89.2	13.8	108.9	L582 Y583 R591	L582-R593 CarbonylContact C-O 3.52Å; L582-R593 WeakPolarHBondContact CA-O 3.5Å; Y583-R593 HydrophobicContact CD1-CB 3.99Å; Y583-R593 VanDerWaalsContact CD1-O 3.3Å; Y583-R593 WeakPolarHBondContact CD1-O 3.48Å; Y583-R593 HydrophobicContact CE1-CB 3.29Å; Y583-R593 HydrophobicContact CE2-CB 4.14Å; Y583-R593 PolarHBondContact N-O 3.37Å; Y583-R593 PolarHBondContact O-N 2.9Å; Y583-R593 WeakPolarHBondContact OH-CB 3.31Å; R591-R593 HydrophobicContact CG-CG 4.2Å
594	D	97.8	Very high	96.8	Very high	89 Å²	89	42.2 Å²	42.2	48%	0.476	21%	0.211	S	C	.	.	S	Bend	trans	-125.6	160.4	-175.7	61.4	-71.4	0	0	0	110.8	D580 L582 Y596	D580-D594 WeakPolarHBondContact O-CB 3.4Å; L582-D594 HydrophobicContact CD2-CB 3.95Å; D594-Y596 PolarHBondContact O-N 3.46Å
595	H	98.1	Very high	96.6	Very high	77 Å²	77	44.3 Å²	44.3	36%	0.356	22%	0.22	S	C	.	.	S	Bend	trans	52.1	52.3	168.6	-61.8	95.8	0	0	0	114.6	Q581 R597 A598	Q581-H595 PolarHBondContact O-N 2.87Å; Q581-H595 VanDerWaalsContact O-N 3.14Å; Q581-H595 PolarHBondContact OE1-CD2 2.85Å; Q581-H595 VanDerWaalsContact OE1-CD2 3.31Å; H595-R597 PolarHBondContact O-N 3.2Å; H595-A598 HydrophobicContact CB-CB 3.78Å; H595-A598 WeakPolarHBondContact O-CB 3.44Å; H595-A598 PolarHBondContact O-N 3.01Å
596	Y	97.9	Very high	96.3	Very high	9 Å²	9	49.3 Å²	49.3	4%	0.035	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	110.7	-175.5	-173.2	-118.8	0	0	0	112.4	V385 V464 F483 A485 Y487 Y583 D594 A598	V385-Y596 HydrophobicContact CG2-CD1 4.31Å; V385-Y596 HydrophobicContact CG2-CE1 3.58Å; V464-Y596 HydrophobicContact CG1-CD1 3.68Å; V464-Y596 HydrophobicContact CG1-CE1 3.66Å; V464-Y596 HydrophobicContact CG2-CE1 4.18Å; F483-Y596 HydrophobicContact CE1-CD1 4.07Å; A485-Y596 HydrophobicContact CB-CD2 4.08Å; A485-Y596 HydrophobicContact CB-CE1 4.18Å; A485-Y596 HydrophobicContact CB-CE2 3.66Å; Y487-Y596 AromaticContact CE2-CE2 3.91Å; Y487-Y596 HydrophobicContact CE2-CE2 3.91Å; Y487-Y596 VanDerWaalsContact OH-CE2 3.29Å; Y487-Y596 WeakPolarHBondContact OH-CE2 3.07Å; Y487-Y596 PolarHBondContact OH-OH 2.99Å; Y583-Y596 HydrophobicContact CD2-CD2 4.39Å; Y583-Y596 AromaticContact CE1-CD2 3.95Å; Y583-Y596 HydrophobicContact CE1-CD2 3.95Å; Y583-Y596 HydrophobicContact CE1-CG 4.3Å; Y583-Y596 AromaticContact CE2-CD2 3.7Å; Y583-Y596 HydrophobicContact CE2-CD2 3.7Å; Y583-Y596 HydrophobicContact CE2-CE2 4.27Å; Y583-Y596 HydrophobicContact CE2-CG 4.37Å; Y583-Y596 AromaticContact CZ-CD2 3.45Å; Y583-Y596 VanDerWaalsContact CZ-CD2 3.45Å; D594-Y596 PolarHBondContact O-N 3.46Å; Y596-A598 PolarHBondContact O-N 2.99Å
597	R	96.9	Very high	96.1	Very high	30 Å²	30	52.8 Å²	52.8	11%	0.113	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	51	29.1	179.7	-57.5	179.3	60.5	72.7	4.7	113.3	D460 H595 T599 K600 V601 D781	D460-R597 VanDerWaalsContact CG-NH2 3.31Å; D460-R597 IonicContact OD1-CZ 3.76Å; D460-R597 VanDerWaalsContact OD1-CZ 3.31Å; D460-R597 IonicContact OD1-NE 3.87Å; D460-R597 PolarHBondContact OD1-NE 3.29Å; D460-R597 IonicContact OD1-NH2 2.81Å; D460-R597 PolarHBondContact OD1-NH2 3.28Å; D460-R597 VanDerWaalsContact OD1-NH2 3.09Å; D460-R597 IonicContact OD2-CZ 3.75Å; D460-R597 IonicContact OD2-NE 2.75Å; D460-R597 IonicContact OD2-NH2 3.73Å; D460-R597 PolarHBondContact OD2-NH2 3.1Å; H595-R597 PolarHBondContact O-N 3.2Å; R597-T599 PolarHBondContact O-N 3.1Å; R597-K600 WeakPolarHBondContact O-CA 3.4Å; R597-K600 WeakPolarHBondContact O-CB 3.47Å; R597-K600 PolarHBondContact O-N 3.23Å; R597-V601 PolarHBondContact O-N 2.87Å; R597-V601 VanDerWaalsContact O-N 3.16Å; R597-D781 WeakPolarHBondContact CD-OD1 3.3Å; R597-D781 WeakPolarHBondContact CG-OD1 3.37Å; R597-D781 IonicContact CZ-OD1 2.69Å; R597-D781 IonicContact NE-OD1 2.7Å; R597-D781 IonicContact NH1-OD1 2.71Å; R597-D781 PolarHBondContact NH1-OD1 3.37Å
598	A	96.1	Very high	95.9	Very high	28 Å²	28	52.8 Å²	52.8	23%	0.231	26%	0.262	C	S	.	.	H	α-helix	trans	-56.2	-29.5	-164.2	0	0	0	0	0	115.3	H595 Y596 A602	H595-A598 HydrophobicContact CB-CB 3.78Å; H595-A598 WeakPolarHBondContact O-CB 3.44Å; H595-A598 PolarHBondContact O-N 3.01Å; Y596-A598 PolarHBondContact O-N 2.99Å; A598-A602 WeakPolarHBondContact O-CB 3.36Å; A598-A602 PolarHBondContact O-N 3.33Å
599	T	96.5	Very high	95.7	Very high	87 Å²	87	53.3 Å²	53.3	53%	0.534	27%	0.268	S	S	.	.	H	α-helix	trans	-65.7	-35.3	173.7	-50.8	0	0	0	0	113	M437 R597 F603 L785	M437-T599 HydrophobicContact CE-CG2 4.42Å; R597-T599 PolarHBondContact O-N 3.1Å; T599-F603 VanDerWaalsContact O-CB 3.28Å; T599-F603 WeakPolarHBondContact O-CB 3.09Å; T599-F603 PolarHBondContact O-N 2.84Å; T599-F603 VanDerWaalsContact O-N 3.11Å; T599-L785 HydrophobicContact CG2-CD1 4.07Å
600	K	97.5	Very high	95.3	Very high	28 Å²	28	50.2 Å²	50.2	12%	0.122	26%	0.256	C	S	.	.	H	α-helix	trans	-78.4	-39.4	176.8	-55.9	-55.4	-175.5	-169.9	0	111.2	M437 Y438 D460 R597 F603 W604	M437-K600 PolarHBondContact O-NZ 3.02Å; Y438-K600 HydrophobicContact CE1-CD 4.14Å; D460-K600 HydrophobicContact CB-CB 4.48Å; D460-K600 WeakPolarHBondContact OD2-CB 3.45Å; D460-K600 WeakPolarHBondContact OD2-CG 3.47Å; R597-K600 WeakPolarHBondContact O-CA 3.4Å; R597-K600 WeakPolarHBondContact O-CB 3.47Å; R597-K600 PolarHBondContact O-N 3.23Å; K600-F603 WeakPolarHBondContact O-CB 3.32Å; K600-F603 PolarHBondContact O-N 3.49Å; K600-W604 VanDerWaalsContact O-CD1 3.23Å; K600-W604 PolarHBondContact O-N 2.75Å; K600-W604 VanDerWaalsContact O-N 3.07Å
601	V	97.3	Very high	94.9	Very high	8 Å²	8	50.3 Å²	50.3	5%	0.048	26%	0.255	C	S	.	.	H	α-helix	trans	-59	-53.4	171.7	177.8	0	0	0	0	110.4	V464 E465 V468 R597 F603 W604 K605	V464-V601 HydrophobicContact CG1-CG2 3.97Å; E465-V601 HydrophobicContact CG-CG1 4.12Å; V468-V601 HydrophobicContact CB-CG1 4.01Å; V468-V601 HydrophobicContact CB-CG2 4.39Å; V468-V601 HydrophobicContact CG1-CG1 3.77Å; V468-V601 HydrophobicContact CG2-CG2 4.23Å; R597-V601 PolarHBondContact O-N 2.87Å; R597-V601 VanDerWaalsContact O-N 3.16Å; V601-F603 VanDerWaalsContact C-N 3.26Å; V601-F603 PolarHBondContact O-N 2.91Å; V601-W604 PolarHBondContact O-N 2.69Å; V601-K605 WeakPolarHBondContact O-CB 3.39Å; V601-K605 PolarHBondContact O-N 2.84Å
602	A	96.5	Very high	94.2	Very high	43 Å²	43	51.3 Å²	51.3	36%	0.355	26%	0.259	S	S	.	.	H	α-helix	trans	-63.3	-30.8	178.7	0	0	0	0	0	113.1	A598 H606	A598-A602 WeakPolarHBondContact O-CB 3.36Å; A598-A602 PolarHBondContact O-N 3.33Å; A602-H606 WeakPolarHBondContact O-CB 2.95Å; A602-H606 PolarHBondContact O-N 3.38Å
603	F	97.4	Very high	93.2	Very high	7 Å²	7	53.4 Å²	53.4	3%	0.031	27%	0.269	C	S	.	.	I	π-helix	trans	-61.6	-52.7	172.6	167.3	-108.6	0	0	0	111.7	T433 I434 M437 Y438 T599 K600 V601 L607 V608	T433-F603 HydrophobicContact CG2-CE2 3.82Å; T433-F603 HydrophobicContact CG2-CZ 4.41Å; I434-F603 HydrophobicContact CB-CZ 4.47Å; I434-F603 HydrophobicContact CG1-CE1 4.02Å; I434-F603 HydrophobicContact CG1-CZ 3.68Å; M437-F603 HydrophobicContact CB-CE1 4.39Å; M437-F603 HydrophobicContact CB-CE2 4.41Å; M437-F603 HydrophobicContact CB-CZ 4.3Å; M437-F603 HydrophobicContact CE-CB 4.03Å; M437-F603 HydrophobicContact CE-CD2 4.05Å; M437-F603 HydrophobicContact CE-CG 4.06Å; M437-F603 HydrophobicContact CG-CD2 3.82Å; M437-F603 HydrophobicContact CG-CE2 3.71Å; M437-F603 HydrophobicContact CG-CG 4.3Å; M437-F603 HydrophobicContact CG-CZ 4.07Å; Y438-F603 HydrophobicContact CE2-CD1 4.3Å; Y438-F603 HydrophobicContact CE2-CE1 4.1Å; T599-F603 VanDerWaalsContact O-CB 3.28Å; T599-F603 WeakPolarHBondContact O-CB 3.09Å; T599-F603 PolarHBondContact O-N 2.84Å; T599-F603 VanDerWaalsContact O-N 3.11Å; K600-F603 WeakPolarHBondContact O-CB 3.32Å; K600-F603 PolarHBondContact O-N 3.49Å; V601-F603 VanDerWaalsContact C-N 3.26Å; V601-F603 PolarHBondContact O-N 2.91Å; F603-L607 HydrophobicContact CD2-CB 4.07Å; F603-L607 HydrophobicContact CD2-CD2 3.89Å; F603-L607 HydrophobicContact CD2-CG 4.35Å; F603-L607 HydrophobicContact CE2-CD2 4.03Å; F603-L607 HydrophobicContact CE2-CG 4.43Å; F603-L607 WeakPolarHBondContact O-CB 3.38Å; F603-L607 PolarHBondContact O-N 3.26Å; F603-L607 VanDerWaalsContact O-N 3.08Å; F603-V608 HydrophobicContact CD1-CG2 4.31Å; F603-V608 HydrophobicContact CD2-CG2 4.29Å; F603-V608 HydrophobicContact CE1-CG2 3.74Å; F603-V608 HydrophobicContact CE2-CG2 3.7Å; F603-V608 HydrophobicContact CZ-CG2 3.4Å; F603-V608 VanDerWaalsContact CZ-CG2 3.4Å; F603-V608 PolarHBondContact O-N 3.15Å
604	W	96.3	Very high	91.8	Very high	8 Å²	8	50.2 Å²	50.2	3%	0.03	26%	0.26	C	S	.	.	I	π-helix	trans	-68.1	-46.6	178.4	-70	128.4	0	0	0	112.2	F416 I434 Y438 L457 H461 E465 K600 V601 H606 V608 P609	F416-W604 AromaticContact CE1-CH2 3.85Å; F416-W604 HydrophobicContact CE1-CH2 3.85Å; F416-W604 HydrophobicContact CE1-CZ2 4.43Å; I434-W604 HydrophobicContact CD1-CH2 3.7Å; I434-W604 HydrophobicContact CD1-CZ3 3.8Å; I434-W604 HydrophobicContact CG1-CH2 3.76Å; I434-W604 HydrophobicContact CG1-CZ3 4.01Å; I434-W604 HydrophobicContact CG2-CH2 4.05Å; Y438-W604 AromaticContact CE2-CZ2 3.71Å; Y438-W604 HydrophobicContact CE2-CZ2 3.71Å; Y438-W604 AromaticContact CZ-NE1 3.88Å; Y438-W604 PolarHBondContact OH-NE1 3.37Å; L457-W604 HydrophobicContact CG-CZ2 4.31Å; H461-W604 HydrophobicContact CB-CD2 4.44Å; H461-W604 HydrophobicContact CB-CZ2 4.17Å; H461-W604 AromaticContact CD2-CD2 3.8Å; H461-W604 AromaticContact CD2-CE3 3.54Å; H461-W604 AromaticContact CD2-CH2 3.96Å; H461-W604 AromaticContact CD2-CZ3 3.63Å; E465-W604 HydrophobicContact CB-CB 4.18Å; E465-W604 HydrophobicContact CG-CB 3.84Å; K600-W604 VanDerWaalsContact O-CD1 3.23Å; K600-W604 PolarHBondContact O-N 2.75Å; K600-W604 VanDerWaalsContact O-N 3.07Å; V601-W604 PolarHBondContact O-N 2.69Å; W604-H606 PolarHBondContact O-N 3.32Å; W604-V608 HydrophobicContact CE3-CB 4.03Å; W604-V608 HydrophobicContact CE3-CG1 4.08Å; W604-V608 HydrophobicContact CE3-CG2 3.58Å; W604-V608 HydrophobicContact CZ3-CB 4.47Å; W604-V608 HydrophobicContact CZ3-CG1 4.23Å; W604-V608 HydrophobicContact CZ3-CG2 3.82Å; W604-P609 WeakPolarHBondContact O-CD 3.24Å
605	K	93.5	Very high	89.9	Confident	44 Å²	44	49.7 Å²	49.7	19%	0.191	26%	0.255	C	S	.	.	I	π-helix	trans	-68.2	-30.4	-176.5	-171.2	177.5	-177.9	156.5	0	114.9	E465 V469 D472 V601	E465-K605 HydrophobicContact CG-CB 4.2Å; E465-K605 WeakPolarHBondContact OE1-CA 3.29Å; E465-K605 WeakPolarHBondContact OE1-CB 3.31Å; V469-K605 HydrophobicContact CG2-CD 3.82Å; V469-K605 HydrophobicContact CG2-CG 4.09Å; D472-K605 IonicContact OD2-NZ 3.77Å; D472-K605 PolarHBondContact OD2-NZ 2.92Å; V601-K605 WeakPolarHBondContact O-CB 3.39Å; V601-K605 PolarHBondContact O-N 2.84Å
606	H	93.6	Very high	87.7	Confident	120 Å²	120	51.4 Å²	51.4	56%	0.556	27%	0.267	S	S	*	.	I	π-helix	trans	-124.6	-46.8	-171.6	-57.8	-48.5	0	0	0	114.3	A602 W604	A602-H606 WeakPolarHBondContact O-CB 2.95Å; A602-H606 PolarHBondContact O-N 3.38Å; W604-H606 PolarHBondContact O-N 3.32Å
607	L	93.3	Very high	85.2	Confident	72 Å²	72	55.4 Å²	55.4	38%	0.377	29%	0.287	S	S	.	.	I	π-helix	trans	-77	-43.8	-175.6	-175.9	57.4	0	0	0	111.6	T433 F603 H610 L611	T433-L607 HydrophobicContact CG2-CD2 4.26Å; F603-L607 HydrophobicContact CD2-CB 4.07Å; F603-L607 HydrophobicContact CD2-CD2 3.89Å; F603-L607 HydrophobicContact CD2-CG 4.35Å; F603-L607 HydrophobicContact CE2-CD2 4.03Å; F603-L607 HydrophobicContact CE2-CG 4.43Å; F603-L607 WeakPolarHBondContact O-CB 3.38Å; F603-L607 PolarHBondContact O-N 3.26Å; F603-L607 VanDerWaalsContact O-N 3.08Å; L607-H610 WeakPolarHBondContact O-CB 3.27Å; L607-H610 PolarHBondContact O-N 3.41Å; L607-L611 HydrophobicContact CD1-CD1 4.3Å; L607-L611 HydrophobicContact CD1-CD2 4.26Å; L607-L611 HydrophobicContact CD1-CG 3.98Å; L607-L611 HydrophobicContact CD2-CD1 4.39Å; L607-L611 HydrophobicContact CG-CD1 3.9Å; L607-L611 HydrophobicContact CG-CG 4.05Å; L607-L611 WeakPolarHBondContact O-CG 3.49Å; L607-L611 PolarHBondContact O-N 3.08Å
608	V	91.9	Very high	82.8	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-64.5	-46.7	-175.3	166.2	0	0	0	0	113.5	Y421 L430 F603 W604 H610 L611 Y612	Y421-V608 HydrophobicContact CE1-CG1 3.71Å; Y421-V608 WeakPolarHBondContact OH-CG1 3.33Å; L430-V608 HydrophobicContact CD1-CB 4.17Å; L430-V608 HydrophobicContact CD1-CG1 3.71Å; L430-V608 HydrophobicContact CD1-CG2 3.76Å; F603-V608 HydrophobicContact CD1-CG2 4.31Å; F603-V608 HydrophobicContact CD2-CG2 4.29Å; F603-V608 HydrophobicContact CE1-CG2 3.74Å; F603-V608 HydrophobicContact CE2-CG2 3.7Å; F603-V608 HydrophobicContact CZ-CG2 3.4Å; F603-V608 VanDerWaalsContact CZ-CG2 3.4Å; F603-V608 PolarHBondContact O-N 3.15Å; W604-V608 HydrophobicContact CE3-CB 4.03Å; W604-V608 HydrophobicContact CE3-CG1 4.08Å; W604-V608 HydrophobicContact CE3-CG2 3.58Å; W604-V608 HydrophobicContact CZ3-CB 4.47Å; W604-V608 HydrophobicContact CZ3-CG1 4.23Å; W604-V608 HydrophobicContact CZ3-CG2 3.82Å; V608-H610 VanDerWaalsContact C-N 3.27Å; V608-H610 PolarHBondContact O-N 3.35Å; V608-L611 PolarHBondContact O-N 3.32Å; V608-L611 VanDerWaalsContact O-N 3.17Å; V608-Y612 WeakPolarHBondContact O-CB 3.42Å; V608-Y612 PolarHBondContact O-N 3.23Å
609	P	89.1	Confident	80.1	Confident	59 Å²	59	63.8 Å²	63.8	38%	0.383	32%	0.32	S	S	.	.	H	α-helix	trans	-56.9	-38.6	171.4	-29.3	34.7	0	0	0	113	W604 Y612 N613	W604-P609 WeakPolarHBondContact O-CD 3.24Å; P609-Y612 PolarHBondContact O-N 3.14Å; P609-N613 WeakPolarHBondContact O-CB 3.43Å; P609-N613 VanDerWaalsContact O-CG 3.3Å; P609-N613 PolarHBondContact O-N 3.43Å; P609-N613 PolarHBondContact O-ND2 3.33Å
610	H	87.8	Confident	77.2	Confident	92 Å²	92	69.6 Å²	69.6	43%	0.426	33%	0.334	S	S	.	.	H	α-helix	trans	-65.8	-45.3	175.4	-174.3	68.8	0	0	0	112	L607 V608 Y612 N613 L614	L607-H610 WeakPolarHBondContact O-CB 3.27Å; L607-H610 PolarHBondContact O-N 3.41Å; V608-H610 VanDerWaalsContact C-N 3.27Å; V608-H610 PolarHBondContact O-N 3.35Å; H610-Y612 VanDerWaalsContact C-N 3.33Å; H610-Y612 PolarHBondContact O-N 3.2Å; H610-N613 CarbonylContact O-C 3.31Å; H610-N613 PolarHBondContact O-N 3.48Å; H610-L614 WeakPolarHBondContact O-CG 3.33Å; H610-L614 PolarHBondContact O-N 3Å; H610-L614 VanDerWaalsContact O-N 3.11Å
611	L	85.4	Confident	74.2	Confident	22 Å²	22	73.1 Å²	73.1	12%	0.115	36%	0.358	C	S	.	.	H	α-helix	trans	-62.8	-38	177.3	-69.5	179.9	0	0	0	112.5	T429 L430 T433 L607 V608 L614	T429-L611 HydrophobicContact CG2-CD2 4.21Å; L430-L611 HydrophobicContact CD1-CB 4.41Å; L430-L611 HydrophobicContact CD1-CD1 4.36Å; T433-L611 HydrophobicContact CG2-CD1 3.88Å; L607-L611 HydrophobicContact CD1-CD1 4.3Å; L607-L611 HydrophobicContact CD1-CD2 4.26Å; L607-L611 HydrophobicContact CD1-CG 3.98Å; L607-L611 HydrophobicContact CD2-CD1 4.39Å; L607-L611 HydrophobicContact CG-CD1 3.9Å; L607-L611 HydrophobicContact CG-CG 4.05Å; L607-L611 WeakPolarHBondContact O-CG 3.49Å; L607-L611 PolarHBondContact O-N 3.08Å; V608-L611 PolarHBondContact O-N 3.32Å; V608-L611 VanDerWaalsContact O-N 3.17Å; L611-L614 HydrophobicContact CD2-CD1 3.76Å
612	Y	79.8	Confident	71.2	Confident	104 Å²	104	77.5 Å²	77.5	41%	0.408	39%	0.389	S	S	.	.	H	α-helix	trans	-64.5	-43	175.2	-173.1	-99.4	0	0	0	111.4	Y421 P424 V608 P609 H610 L614	Y421-Y612 AromaticContact CD1-CD2 3.74Å; Y421-Y612 HydrophobicContact CD1-CD2 3.74Å; Y421-Y612 HydrophobicContact CD1-CE2 4.02Å; Y421-Y612 HydrophobicContact CG-CD2 4.5Å; P424-Y612 HydrophobicContact CB-CD2 4.37Å; P424-Y612 HydrophobicContact CB-CE2 3.95Å; P424-Y612 HydrophobicContact CG-CD2 4.1Å; P424-Y612 HydrophobicContact CG-CE2 3.81Å; V608-Y612 WeakPolarHBondContact O-CB 3.42Å; V608-Y612 PolarHBondContact O-N 3.23Å; P609-Y612 PolarHBondContact O-N 3.14Å; H610-Y612 VanDerWaalsContact C-N 3.33Å; H610-Y612 PolarHBondContact O-N 3.2Å; Y612-L614 PolarHBondContact O-N 3.38Å
613	N	77.3	Confident	68.3	Low	84 Å²	84	81.4 Å²	81.4	45%	0.449	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	4.2	-177.9	-66.9	-23.6	0	0	0	114.9	P609 H610 H615 D616	P609-N613 WeakPolarHBondContact O-CB 3.43Å; P609-N613 VanDerWaalsContact O-CG 3.3Å; P609-N613 PolarHBondContact O-N 3.43Å; P609-N613 PolarHBondContact O-ND2 3.33Å; H610-N613 CarbonylContact O-C 3.31Å; H610-N613 PolarHBondContact O-N 3.48Å; N613-H615 PolarHBondContact O-N 3.31Å; N613-H615 VanDerWaalsContact O-N 3.12Å; N613-D616 PolarHBondContact O-N 2.67Å
614	L	68.3	Low	65.7	Low	43 Å²	43	86.5 Å²	86.5	23%	0.225	44%	0.44	C	S	.	.	H	α-helix	trans	-55.4	-34.1	-175.2	-86.8	174.8	0	0	0	113.5	H610 L611 Y612 M617 F618	H610-L614 WeakPolarHBondContact O-CG 3.33Å; H610-L614 PolarHBondContact O-N 3Å; H610-L614 VanDerWaalsContact O-N 3.11Å; L611-L614 HydrophobicContact CD2-CD1 3.76Å; Y612-L614 PolarHBondContact O-N 3.38Å; L614-M617 HydrophobicContact CD2-CE 3.97Å; L614-F618 WeakPolarHBondContact O-CD2 3.1Å
615	H	57.1	Low	63.1	Low	77 Å²	77	92.1 Å²	92.1	36%	0.356	48%	0.476	S	S	.	.	H	α-helix	trans	-75.2	-31.8	-175.1	-116.5	57.7	0	0	0	114.5	E425 N613 M617 F618 H619	E425-H615 IonicContact OE2-CD2 2.83Å; N613-H615 PolarHBondContact O-N 3.31Å; N613-H615 VanDerWaalsContact O-N 3.12Å; H615-M617 VanDerWaalsContact C-N 3.26Å; H615-M617 PolarHBondContact O-N 3.46Å; H615-F618 PolarHBondContact O-N 3.2Å; H615-F618 VanDerWaalsContact O-N 3.08Å; H615-H619 AromaticContact CD2-NE2 3.55Å; H615-H619 PolarHBondContact O-CD2 2.87Å; H615-H619 VanDerWaalsContact O-CD2 3.23Å; H615-H619 PolarHBondContact O-N 3.29Å
616	D	52.3	Low	60.2	Low	114 Å²	114	99.8 Å²	99.8	61%	0.61	51%	0.509	S	S	*	.	H	α-helix	trans	-62.8	-34.6	176.8	-85.1	-29.1	0	0	0	112	N613 H619 Y620	N613-D616 PolarHBondContact O-N 2.67Å; D616-H619 PolarHBondContact O-N 2.91Å; D616-Y620 PolarHBondContact O-N 2.91Å
617	M	45.1	Very low	57.3	Low	93 Å²	93	100.1 Å²	100.1	46%	0.458	52%	0.519	S	S	.	.	H	α-helix	trans	-65.4	-37.9	173.6	-61.3	-160	-51.9	0	0	112.7	L614 H615 T621	L614-M617 HydrophobicContact CD2-CE 3.97Å; H615-M617 VanDerWaalsContact C-N 3.26Å; H615-M617 PolarHBondContact O-N 3.46Å; M617-T621 PolarHBondContact O-N 3.24Å; M617-T621 PolarHBondContact O-OG1 2.75Å
618	F	46.8	Very low	54.4	Low	121 Å²	121	101.8 Å²	101.8	53%	0.531	53%	0.534	S	S	.	.	H	α-helix	trans	-75.5	-30.9	179.5	-69.9	-62.8	0	0	0	112.5	L614 H615 T621 S622	L614-F618 WeakPolarHBondContact O-CD2 3.1Å; H615-F618 PolarHBondContact O-N 3.2Å; H615-F618 VanDerWaalsContact O-N 3.08Å; F618-T621 PolarHBondContact O-N 3.29Å; F618-S622 WeakPolarHBondContact O-CB 3.34Å; F618-S622 PolarHBondContact O-N 3.39Å; F618-S622 VanDerWaalsContact O-N 3.16Å
619	H	39.5	Very low	51.6	Low	112 Å²	112	107 Å²	107	52%	0.519	57%	0.569	S	S	.	*	H	α-helix	trans	-66	-38.6	171.2	-74.6	-59.1	0	0	0	112.8	H615 D616 T621 S622	H615-H619 AromaticContact CD2-NE2 3.55Å; H615-H619 PolarHBondContact O-CD2 2.87Å; H615-H619 VanDerWaalsContact O-CD2 3.23Å; H615-H619 PolarHBondContact O-N 3.29Å; D616-H619 PolarHBondContact O-N 2.91Å; H619-T621 VanDerWaalsContact C-N 3.29Å; H619-T621 PolarHBondContact O-N 3.43Å; H619-S622 PolarHBondContact O-N 3.38Å
620	Y	35.6	Very low	48.9	Very low	210 Å²	210	110.2 Å²	110.2	82%	0.824	59%	0.589	S	S	*	*	H	α-helix	trans	-63.9	-34.2	173.8	-119.9	-84.2	0	0	0	112.9	D616	D616-Y620 PolarHBondContact O-N 2.91Å
621	T	35.4	Very low	46.2	Very low	101 Å²	101	113.5 Å²	113.5	62%	0.62	61%	0.61	S	S	*	*	H	α-helix	trans	-81.2	-15.7	-178.2	-45.7	0	0	0	0	112.9	M617 F618 H619 T623	M617-T621 PolarHBondContact O-N 3.24Å; M617-T621 PolarHBondContact O-OG1 2.75Å; F618-T621 PolarHBondContact O-N 3.29Å; H619-T621 VanDerWaalsContact C-N 3.29Å; H619-T621 PolarHBondContact O-N 3.43Å; T621-T623 PolarHBondContact O-N 2.9Å
622	S	34	Very low	43.6	Very low	101 Å²	101	119.3 Å²	119.3	71%	0.706	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	24.6	-171.9	-151	0	0	0	0	115.3	F618 H619	F618-S622 WeakPolarHBondContact O-CB 3.34Å; F618-S622 PolarHBondContact O-N 3.39Å; F618-S622 VanDerWaalsContact O-N 3.16Å; H619-S622 PolarHBondContact O-N 3.38Å
623	T	35.7	Very low	41.3	Very low	124 Å²	124	119.9 Å²	119.9	76%	0.761	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	-5.5	172.8	42.3	0	0	0	0	114.9	T621	T621-T623 PolarHBondContact O-N 2.9Å
624	T	42.8	Very low	38.9	Very low	114 Å²	114	124.1 Å²	124.1	70%	0.699	68%	0.678	S	S	*	*	S	Bend	trans	-110.2	68.9	176.6	173	0	0	0	0	113.1
625	T	40.5	Very low	36.9	Very low	126 Å²	126	126.9 Å²	126.9	77%	0.773	70%	0.701	S	S	*	*			trans	170.4	84.5	130.7	40.3	0	0	0	0	110.4
626	K	33.4	Very low	35.4	Very low	206 Å²	206	127.8 Å²	127.8	90%	0.896	72%	0.716	S	S	*	*			trans	-95.3	99	153.9	-77.1	-170.8	177.5	177.7	0	108.4
627	V	32.6	Very low	34.3	Very low	126 Å²	126	131.8 Å²	131.8	76%	0.764	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-64.2	126.8	168.3	179.7	0	0	0	0	107.8
628	P	31.4	Very low	33.4	Very low	107 Å²	107	134.2 Å²	134.2	70%	0.695	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-67.7	144.3	177.9	-18	31.3	0	0	0	111.4
629	P	32.9	Very low	32.4	Very low	112 Å²	112	135.5 Å²	135.5	73%	0.727	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-66.5	150.2	167.5	30.5	-34.2	0	0	0	110.2
630	P	33.8	Very low	31.8	Very low	126 Å²	126	141 Å²	141	82%	0.818	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-70.4	135.7	-178.7	28.5	-34	0	0	0	111.8
631	D	30	Very low	31.4	Very low	161 Å²	161	142.4 Å²	142.4	86%	0.861	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-57.3	135.1	177.4	-71.5	-55	0	0	0	112.5
632	T	30.7	Very low	31.5	Very low	144 Å²	144	142.3 Å²	142.3	88%	0.883	78%	0.783	S	S	*	*			trans	-116.1	144.4	154.2	45.5	0	0	0	0	109.4
633	T	31.3	Very low	31.3	Very low	116 Å²	116	145.5 Å²	145.5	71%	0.712	79%	0.792	S	S	*	*			trans	-98.3	160.1	-150.3	49.8	0	0	0	0	115.6
634	H	27.3	Very low	31.1	Very low	172 Å²	172	143 Å²	143	80%	0.796	79%	0.791	S	S	*	*			trans	100.7	131.7	148.6	-77.1	-71.9	0	0	0	122.2
635	S	27.5	Very low	30.4	Very low	101 Å²	101	147 Å²	147	71%	0.706	80%	0.799	S	S	*	*			trans	78.5	86.2	150.9	54.7	0	0	0	0	121.5
636	S	25.4	Very low	29.7	Very low	97 Å²	97	146.8 Å²	146.8	68%	0.678	80%	0.797	S	S	*	*				39.3	126.8	115.1	62.6	0	0	0	0	121.5
637	H	28.2	Very low	29.3	Very low	198 Å²	198	148.1 Å²	148.1	92%	0.917	80%	0.797	S	S	*	*				-150.1	151.1	117.3	-103.1	-70.3	0	0	0	112.1
638	I	25.8	Very low	29	Very low	143 Å²	143	146.8 Å²	146.8	73%	0.733	79%	0.793	S	S	*	*			trans	-113.4	139.4	-175	-68.4	166	0	0	0	109.6
639	T	26.4	Very low	28.8	Very low	148 Å²	148	147.3 Å²	147.3	91%	0.908	80%	0.795	S	S	*	*			trans	-138.4	125.5	147.6	24.2	0	0	0	0	111.7
640	R	27	Very low	28.5	Very low	229 Å²	229	151.3 Å²	151.3	86%	0.864	80%	0.801	S	S	*	*			trans	-94.3	156.7	178.1	-96	174.4	161.7	177.9	-4.6	111.1
641	R	27.8	Very low	28.6	Very low	238 Å²	238	156.7 Å²	156.7	90%	0.898	81%	0.805	S	S	*	*				-179.2	162.1	127	-101.7	175.3	-168.9	-142.6	5.6	110.6
642	P	36.2	Very low	28.9	Very low	99 Å²	99	154.7 Å²	154.7	64%	0.643	80%	0.8	S	S	*	*				-139.8	160.2	-62.5	34.4	-14.9	0	0	0	115.4
643	N	31.5	Very low	28.7	Very low	168 Å²	168	152 Å²	152	90%	0.898	79%	0.793	S	S	*	*			trans	60.1	130.4	162.6	-61	-9.1	0	0	0	117.9
644	G	31.4	Very low	28.4	Very low	72 Å²	72	154.5 Å²	154.5	74%	0.742	80%	0.8	S	S	*	*			cis	145.8	132.4	5.9	0	0	0	0	0	107.2
645	K	28.4	Very low	28.5	Very low	197 Å²	197	151.4 Å²	151.4	86%	0.857	80%	0.798	S	S	*	*			cis	-150.4	129.2	46.1	-66.7	158.4	-179.3	174	0	107.8
646	T	24.5	Very low	28.6	Very low	122 Å²	122	152.4 Å²	152.4	75%	0.748	80%	0.802	S	S	*	*				45.6	125.2	86.1	61.8	0	0	0	0	114.3
647	W	24.9	Very low	28.6	Very low	234 Å²	234	151.8 Å²	151.8	89%	0.886	80%	0.803	S	S	*	*				-142	167.5	56.5	-149	-87.1	0	0	0	115.6
648	S	25.6	Very low	28.5	Very low	98 Å²	98	152.8 Å²	152.8	69%	0.685	80%	0.8	S	S	*	*			trans	-85.1	-171.4	174.6	-152.7	0	0	0	0	110.8
649	T	27.5	Very low	28.4	Very low	118 Å²	118	150.1 Å²	150.1	72%	0.724	79%	0.794	S	S	*	*				-163.7	177.3	53.4	39.6	0	0	0	0	111
650	K	28.4	Very low	28.5	Very low	196 Å²	196	150 Å²	150	85%	0.852	79%	0.788	S	S	*	*			trans	-89.4	156.2	172.9	-69.1	174.6	173.7	177.5	0	112.1
651	R	34.8	Very low	28.5	Very low	240 Å²	240	148.7 Å²	148.7	91%	0.906	79%	0.792	S	S	*	*			trans	-2.7	153.2	145.7	-62.4	-175.3	-176.4	-174.2	1.2	117.5
652	P	37.2	Very low	28.6	Very low	118 Å²	118	144.6 Å²	144.6	77%	0.766	79%	0.788	S	S	*	*			cis	-153.7	171.4	36.7	43.9	-23.6	0	0	0	120.2
653	A	25	Very low	28.2	Very low	89 Å²	89	144.3 Å²	144.3	74%	0.736	79%	0.794	S	S	*	*			trans	67.4	158	139.3	0	0	0	0	0	124
654	I	24.6	Very low	28.1	Very low	167 Å²	167	145.6 Å²	145.6	86%	0.856	79%	0.794	S	S	*	*			trans	86.2	116.5	162.2	-58.1	170.9	0	0	0	117.7
655	S	30	Very low	27.9	Very low	107 Å²	107	145.8 Å²	145.8	75%	0.748	80%	0.796	S	S	*	*			trans	-61.3	157	166.2	-34.3	0	0	0	0	112.1
656	P	30.5	Very low	27.8	Very low	122 Å²	122	142 Å²	142	79%	0.792	79%	0.794	S	S	*	*				-143	170.9	95.7	36.2	-21.5	0	0	0	114.7
657	A	24.8	Very low	27.8	Very low	85 Å²	85	146.8 Å²	146.8	70%	0.702	80%	0.799	S	S	*	*			trans	-64.8	148.7	174.5	0	0	0	0	0	113
658	Y	25.6	Very low	27.8	Very low	218 Å²	218	141.7 Å²	141.7	86%	0.855	79%	0.789	S	S	*	*				-176.4	146.6	112.9	-117.8	-97.2	0	0	0	110.9
659	S	24.7	Very low	27.8	Very low	87 Å²	87	140.1 Å²	140.1	61%	0.608	79%	0.788	S	S	*	*			trans	27.6	140	150.9	59.5	0	0	0	0	120.7
660	N	27.4	Very low	27.8	Very low	145 Å²	145	142.2 Å²	142.2	78%	0.775	80%	0.795	S	S	*	*			cis	-169.6	137.7	15.4	-117.9	-2.5	0	0	0	107.5
661	E	28.6	Very low	28.1	Very low	202 Å²	202	141.2 Å²	141.2	94%	0.944	79%	0.793	S	S	*	*			trans	-155.7	113.8	142.4	-123.5	168.6	-160.9	0	0	110.3
662	N	28.4	Very low	27.9	Very low	152 Å²	152	137.3 Å²	137.3	81%	0.813	79%	0.791	S	S	*	*			trans	-108.6	117.8	-177	-108.1	-21.5	0	0	0	108.8
663	A	28.5	Very low	27.5	Very low	93 Å²	93	136 Å²	136	77%	0.769	79%	0.789	S	S	*	*			trans	-164.3	83.3	145.2	0	0	0	0	0	110.3
664	Q	30.1	Very low	27.7	Very low	196 Å²	196	135.2 Å²	135.2	92%	0.916	79%	0.79	S	S	*	*			trans	28.8	129.5	133.2	-65.8	173.8	-40.5	0	0	119.2
665	G	26.5	Very low	29.1	Very low	75 Å²	75	133 Å²	133	77%	0.773	79%	0.786	S	S	*	*			cis	161	136.4	-5.3	0	0	0	0	0	113
666	S	26.2	Very low	29	Very low	118 Å²	118	135 Å²	135	83%	0.825	79%	0.788	S	S	*	*			trans	-154.7	120.8	159.3	-172	0	0	0	0	107.5
667	W	23.6	Very low	29	Very low	222 Å²	222	136.1 Å²	136.1	84%	0.841	79%	0.787	S	S	*	*			trans	-103	133.8	-178.8	-94.7	57.1	0	0	0	110.3
668	N	25.5	Very low	29.4	Very low	127 Å²	127	138.9 Å²	138.9	68%	0.679	80%	0.795	S	S	*	*				37.5	151	117	-51	-10.3	0	0	0	118.3
669	G	26.9	Very low	29.8	Very low	65 Å²	65	136.6 Å²	136.6	67%	0.67	79%	0.792	S	S	*	*			cis	176.5	177.5	11.9	0	0	0	0	0	106
670	D	25.9	Very low	30.3	Very low	162 Å²	162	139.5 Å²	139.5	87%	0.866	80%	0.8	S	S	*	*			cis	-151.2	158.2	23.1	-77.9	-34.2	0	0	0	111.3
671	Q	34.8	Very low	31.3	Very low	175 Å²	175	138.1 Å²	138.1	82%	0.818	80%	0.799	S	S	*	*			trans	-93.4	152.7	146.8	-67.7	172.5	-19.8	0	0	107.4
672	D	31	Very low	32.4	Very low	159 Å²	159	139.2 Å²	139.2	85%	0.85	80%	0.795	S	S	*	*				-179.1	172.3	101.9	-124.7	-34.1	0	0	0	115.2
673	A	28.6	Very low	33.3	Very low	89 Å²	89	138.4 Å²	138.4	74%	0.736	79%	0.79	S	S	*	*			trans	82.1	109.9	162.4	0	0	0	0	0	119.6
674	G	29.3	Very low	34.3	Very low	73 Å²	73	143.9 Å²	143.9	75%	0.753	79%	0.793	S	S	*	*			trans	-92.8	-157.6	144.6	0	0	0	0	0	110.7
675	P	53.8	Low	35.8	Very low	120 Å²	120	138.8 Å²	138.8	78%	0.779	78%	0.779	S	S	*	*			cis	-128.6	179.1	-7.7	37.9	-20.7	0	0	0	113.5
676	L	27.8	Very low	37.6	Very low	151 Å²	151	139.5 Å²	139.5	79%	0.791	77%	0.768	S	S	*	*			trans	146.1	142.2	139.5	-80.8	166.3	0	0	0	115.9
677	L	31.6	Very low	39.5	Very low	144 Å²	144	140.4 Å²	140.4	75%	0.754	76%	0.759	S	S	*	*			trans	60.7	109.6	151.4	-65.1	167.2	0	0	0	121.2
678	V	32	Very low	41.7	Very low	144 Å²	144	135.1 Å²	135.1	87%	0.873	75%	0.747	S	S	*	*			trans	-138.9	113.7	131.5	-179.7	0	0	0	0	109.7
679	E	34.8	Very low	43.8	Very low	170 Å²	170	132.1 Å²	132.1	79%	0.794	74%	0.736	S	S	*	*			trans	-84.4	134.7	156.1	-91.2	-179.6	124.3	0	0	109.1
680	N	35.5	Very low	46.4	Very low	147 Å²	147	133.4 Å²	133.4	79%	0.786	73%	0.731	S	S	*	*			trans	-162.8	110.4	145.3	-131	-17.6	0	0	0	112.6
681	P	48.6	Very low	49.2	Very low	116 Å²	116	130.4 Å²	130.4	75%	0.753	72%	0.718	S	S	*	*			trans	-98.4	90.2	175	34.8	-29.1	0	0	0	111.1
682	R	50.8	Low	51.6	Low	226 Å²	226	127.1 Å²	127.1	85%	0.853	71%	0.705	S	S	*	*			trans	-161.1	103.3	167.9	-106.5	169.5	-166.7	-177.6	4.3	110.2
683	D	47.3	Very low	54.1	Low	135 Å²	135	122.1 Å²	122.1	72%	0.722	69%	0.686	S	S	*	*			trans	-175	6.6	147.2	-93.6	-19.8	0	0	0	114.8	S685 T686	D683-S685 PolarHBondContact O-N 3.34Å; D683-S685 VanDerWaalsContact O-N 3.08Å; D683-T686 PolarHBondContact O-OG1 3.5Å
684	Y	50.2	Low	57.1	Low	208 Å²	208	121.8 Å²	121.8	82%	0.816	68%	0.675	S	S	*	*	H	α-helix	trans	-66.8	-4.8	171.7	-81.9	-76.6	0	0	0	115.7	L688	Y684-L688 WeakPolarHBondContact O-CB 3.35Å
685	S	61	Low	60	Low	89 Å²	89	120.2 Å²	120.2	62%	0.622	66%	0.658	S	S	*	*	H	α-helix	trans	-82.1	-26.8	-171	-168.2	0	0	0	0	114.2	D683 S689	D683-S685 PolarHBondContact O-N 3.34Å; D683-S685 VanDerWaalsContact O-N 3.08Å; S685-S689 WeakPolarHBondContact O-CB 3.17Å; S685-S689 PolarHBondContact O-OG 3.09Å
686	T	64.3	Low	61.5	Low	89 Å²	89	117.2 Å²	117.2	55%	0.546	64%	0.643	S	S	.	*	H	α-helix	trans	-85.5	-51.3	-174.4	43.7	0	0	0	0	111.4	D683 L688 S689 V690	D683-T686 PolarHBondContact O-OG1 3.5Å; T686-L688 PolarHBondContact O-N 2.9Å; T686-S689 PolarHBondContact O-N 3.48Å; T686-S689 VanDerWaalsContact O-N 3.17Å; T686-V690 WeakPolarHBondContact O-CG2 3.17Å; T686-V690 PolarHBondContact O-N 3.1Å
687	E	67.3	Low	64.3	Low	138 Å²	138	113.3 Å²	113.3	65%	0.645	63%	0.629	S	S	*	*	H	α-helix	trans	-62.1	-41	-179.6	-60.3	-174.1	160.7	0	0	112.4	V690 T691	E687-V690 PolarHBondContact O-N 3.21Å; E687-T691 WeakPolarHBondContact O-CB 3.26Å; E687-T691 PolarHBondContact O-N 3Å; E687-T691 PolarHBondContact O-OG1 3.34Å
688	L	69.4	Low	67.1	Low	110 Å²	110	111 Å²	111	58%	0.576	62%	0.617	S	S	*	*	H	α-helix	trans	-64.6	-41.7	175.3	-170.6	70.8	0	0	0	111.3	Y684 T686 T691 I692	Y684-L688 WeakPolarHBondContact O-CB 3.35Å; T686-L688 PolarHBondContact O-N 2.9Å; L688-T691 PolarHBondContact O-N 2.93Å; L688-I692 HydrophobicContact CG-CD1 3.97Å; L688-I692 WeakPolarHBondContact O-CB 3.34Å; L688-I692 VanDerWaalsContact O-CG1 3.25Å; L688-I692 WeakPolarHBondContact O-CG1 3.46Å; L688-I692 PolarHBondContact O-N 2.71Å
689	S	68.7	Low	69.8	Low	65 Å²	65	110 Å²	110	46%	0.455	61%	0.606	S	S	.	*	H	α-helix	trans	-66.3	-39.7	178	-63.3	0	0	0	0	112.2	S685 T686 A693	S685-S689 WeakPolarHBondContact O-CB 3.17Å; S685-S689 PolarHBondContact O-OG 3.09Å; T686-S689 PolarHBondContact O-N 3.48Å; T686-S689 VanDerWaalsContact O-N 3.17Å; S689-A693 VanDerWaalsContact O-CB 3.31Å; S689-A693 WeakPolarHBondContact O-CB 3.48Å; S689-A693 PolarHBondContact O-N 2.77Å
690	V	81.9	Confident	72.4	Confident	92 Å²	92	108.3 Å²	108.3	56%	0.558	60%	0.596	S	S	*	*	H	α-helix	trans	-64.1	-45.4	174.3	171.7	0	0	0	0	110.7	T686 E687 I692 A693 V694	T686-V690 WeakPolarHBondContact O-CG2 3.17Å; T686-V690 PolarHBondContact O-N 3.1Å; E687-V690 PolarHBondContact O-N 3.21Å; V690-I692 PolarHBondContact O-N 3.48Å; V690-A693 PolarHBondContact O-N 3.33Å; V690-V694 HydrophobicContact CG1-CG2 4.43Å; V690-V694 WeakPolarHBondContact O-CG2 3.41Å; V690-V694 PolarHBondContact O-N 2.91Å
691	T	84.4	Confident	75	Confident	98 Å²	98	106.4 Å²	106.4	60%	0.601	59%	0.586	S	S	*	*	H	α-helix	trans	-60.5	-44.5	178	-54.8	0	0	0	0	111.6	E687 L688 G695	E687-T691 WeakPolarHBondContact O-CB 3.26Å; E687-T691 PolarHBondContact O-N 3Å; E687-T691 PolarHBondContact O-OG1 3.34Å; L688-T691 PolarHBondContact O-N 2.93Å; T691-G695 PolarHBondContact O-N 2.92Å
692	I	86.3	Confident	76.6	Confident	107 Å²	107	105.6 Å²	105.6	55%	0.549	58%	0.575	S	S	.	*	H	α-helix	trans	-63.8	-42.9	175.6	-69.2	166.2	0	0	0	111.1	L688 V690 G695 A696	L688-I692 HydrophobicContact CG-CD1 3.97Å; L688-I692 WeakPolarHBondContact O-CB 3.34Å; L688-I692 VanDerWaalsContact O-CG1 3.25Å; L688-I692 WeakPolarHBondContact O-CG1 3.46Å; L688-I692 PolarHBondContact O-N 2.71Å; V690-I692 PolarHBondContact O-N 3.48Å; I692-G695 PolarHBondContact O-N 3.31Å; I692-A696 VanDerWaalsContact O-CB 3.31Å; I692-A696 WeakPolarHBondContact O-CB 3.45Å; I692-A696 PolarHBondContact O-N 3.2Å
693	A	83.2	Confident	78.5	Confident	54 Å²	54	98.9 Å²	98.9	45%	0.446	56%	0.559	S	S	.	*	H	α-helix	trans	-65	-41.3	179.5	0	0	0	0	0	112.8	S689 V690 S697	S689-A693 VanDerWaalsContact O-CB 3.31Å; S689-A693 WeakPolarHBondContact O-CB 3.48Å; S689-A693 PolarHBondContact O-N 2.77Å; V690-A693 PolarHBondContact O-N 3.33Å; A693-S697 WeakPolarHBondContact O-CB 3.34Å; A693-S697 PolarHBondContact O-N 2.88Å; A693-S697 PolarHBondContact O-OG 2.94Å
694	V	91.4	Very high	80.5	Confident	82 Å²	82	96.8 Å²	96.8	50%	0.497	55%	0.547	S	S	.	.	H	α-helix	trans	-66.1	-46.3	174.9	172.7	0	0	0	0	110.6	V690 A696 S697 L698	V690-V694 HydrophobicContact CG1-CG2 4.43Å; V690-V694 WeakPolarHBondContact O-CG2 3.41Å; V690-V694 PolarHBondContact O-N 2.91Å; V694-A696 PolarHBondContact O-N 3.28Å; V694-S697 PolarHBondContact O-N 3.18Å; V694-L698 HydrophobicContact CG1-CD1 4.07Å; V694-L698 WeakPolarHBondContact O-CG 3.26Å; V694-L698 PolarHBondContact O-N 3.18Å
695	G	88.9	Confident	82.3	Confident	39 Å²	39	89.2 Å²	89.2	40%	0.402	53%	0.528	S	S	.	.	H	α-helix	trans	-59.2	-45.7	177	0	0	0	0	0	113.1	T691 I692 S697 L698 L699	T691-G695 PolarHBondContact O-N 2.92Å; I692-G695 PolarHBondContact O-N 3.31Å; G695-S697 VanDerWaalsContact C-N 3.34Å; G695-S697 PolarHBondContact O-N 2.91Å; G695-L698 PolarHBondContact O-N 3.1Å; G695-L699 WeakPolarHBondContact O-CB 3.28Å; G695-L699 PolarHBondContact O-N 2.86Å
696	A	86.2	Confident	83.6	Confident	57 Å²	57	92.2 Å²	92.2	47%	0.471	53%	0.529	S	S	.	.	H	α-helix	trans	-63.7	-38.1	176	0	0	0	0	0	112.5	I692 V694 L699 F700	I692-A696 VanDerWaalsContact O-CB 3.31Å; I692-A696 WeakPolarHBondContact O-CB 3.45Å; I692-A696 PolarHBondContact O-N 3.2Å; V694-A696 PolarHBondContact O-N 3.28Å; A696-L699 PolarHBondContact O-N 2.74Å; A696-F700 WeakPolarHBondContact O-CB 3.38Å; A696-F700 PolarHBondContact O-N 3.35Å
697	S	87.6	Confident	84.6	Confident	70 Å²	70	90.5 Å²	90.5	49%	0.49	53%	0.525	S	S	.	.	H	α-helix	trans	-66.2	-42.4	177.8	-59.9	0	0	0	0	112.2	A693 V694 G695 F700 L701	A693-S697 WeakPolarHBondContact O-CB 3.34Å; A693-S697 PolarHBondContact O-N 2.88Å; A693-S697 PolarHBondContact O-OG 2.94Å; V694-S697 PolarHBondContact O-N 3.18Å; G695-S697 VanDerWaalsContact C-N 3.34Å; G695-S697 PolarHBondContact O-N 2.91Å; S697-F700 PolarHBondContact O-N 3.03Å; S697-L701 PolarHBondContact O-N 3.38Å
698	L	89.1	Confident	85.4	Confident	96 Å²	96	86.9 Å²	86.9	50%	0.503	52%	0.518	S	S	.	.	H	α-helix	trans	-66.3	-39.4	175.2	-70.3	171.5	0	0	0	112	V694 G695 L701 N702	V694-L698 HydrophobicContact CG1-CD1 4.07Å; V694-L698 WeakPolarHBondContact O-CG 3.26Å; V694-L698 PolarHBondContact O-N 3.18Å; G695-L698 PolarHBondContact O-N 3.1Å; L698-L701 PolarHBondContact O-N 3.32Å; L698-N702 PolarHBondContact O-N 2.67Å; L698-N702 PolarHBondContact O-ND2 2.77Å
699	L	89.3	Confident	85.9	Confident	123 Å²	123	86.9 Å²	86.9	64%	0.644	52%	0.518	S	S	*	.	H	α-helix	trans	-62	-44.1	174	-169	114.8	0	0	0	111.4	G695 A696 N702 V703	G695-L699 WeakPolarHBondContact O-CB 3.28Å; G695-L699 PolarHBondContact O-N 2.86Å; A696-L699 PolarHBondContact O-N 2.74Å; L699-N702 PolarHBondContact O-N 3.08Å; L699-V703 WeakPolarHBondContact O-CG2 3.36Å; L699-V703 PolarHBondContact O-N 3.24Å
700	F	89.3	Confident	86.6	Confident	133 Å²	133	92 Å²	92	58%	0.583	53%	0.529	S	S	*	.	H	α-helix	trans	-64.9	-40.9	177.9	-164.3	-103.4	0	0	0	112.5	A696 S697 N702 V703 L704	A696-F700 WeakPolarHBondContact O-CB 3.38Å; A696-F700 PolarHBondContact O-N 3.35Å; S697-F700 PolarHBondContact O-N 3.03Å; F700-N702 PolarHBondContact O-N 3.22Å; F700-V703 PolarHBondContact O-N 3.36Å; F700-L704 HydrophobicContact CD1-CD1 3.81Å; F700-L704 HydrophobicContact CD1-CG 4.27Å; F700-L704 HydrophobicContact CE1-CD1 3.66Å; F700-L704 HydrophobicContact CE1-CD2 4.49Å; F700-L704 HydrophobicContact CE1-CG 4.12Å; F700-L704 WeakPolarHBondContact O-CG 3.36Å; F700-L704 PolarHBondContact O-N 3.36Å
701	L	89.9	Confident	86.3	Confident	108 Å²	108	95.5 Å²	95.5	57%	0.565	53%	0.533	S	S	*	.	H	α-helix	trans	-60.9	-42.3	173.1	-80.4	168.4	0	0	0	112.4	S697 L698 L704 A705	S697-L701 PolarHBondContact O-N 3.38Å; L698-L701 PolarHBondContact O-N 3.32Å; L701-L704 PolarHBondContact O-N 3.07Å; L701-A705 WeakPolarHBondContact O-CB 3.33Å; L701-A705 PolarHBondContact O-N 3.47Å
702	N	83.3	Confident	85.9	Confident	99 Å²	99	99.7 Å²	99.7	53%	0.529	54%	0.538	S	S	.	.	H	α-helix	trans	-63.7	-43	175.3	-78.9	-37.1	0	0	0	112	L698 L699 F700 L704 A705 F706	L698-N702 PolarHBondContact O-N 2.67Å; L698-N702 PolarHBondContact O-ND2 2.77Å; L699-N702 PolarHBondContact O-N 3.08Å; F700-N702 PolarHBondContact O-N 3.22Å; N702-L704 VanDerWaalsContact C-N 3.35Å; N702-L704 PolarHBondContact O-N 3.07Å; N702-A705 PolarHBondContact O-N 2.97Å; N702-F706 WeakPolarHBondContact O-CD2 3.41Å; N702-F706 PolarHBondContact O-N 2.87Å
703	V	89.9	Confident	85.3	Confident	84 Å²	84	101.3 Å²	101.3	51%	0.509	54%	0.541	S	S	.	.	H	α-helix	trans	-60.8	-42.8	175.1	171.4	0	0	0	0	111.3	L699 F700 F706 A707	L699-V703 WeakPolarHBondContact O-CG2 3.36Å; L699-V703 PolarHBondContact O-N 3.24Å; F700-V703 PolarHBondContact O-N 3.36Å; V703-F706 PolarHBondContact O-N 3.32Å; V703-A707 WeakPolarHBondContact O-CB 3.42Å; V703-A707 PolarHBondContact O-N 2.86Å
704	L	89.4	Confident	84.6	Confident	92 Å²	92	101.7 Å²	101.7	48%	0.482	54%	0.535	S	S	.	.	H	α-helix	trans	-64.2	-39.9	175	-72.2	176.2	0	0	0	112.6	F700 L701 N702 A707 A708	F700-L704 HydrophobicContact CD1-CD1 3.81Å; F700-L704 HydrophobicContact CD1-CG 4.27Å; F700-L704 HydrophobicContact CE1-CD1 3.66Å; F700-L704 HydrophobicContact CE1-CD2 4.49Å; F700-L704 HydrophobicContact CE1-CG 4.12Å; F700-L704 WeakPolarHBondContact O-CG 3.36Å; F700-L704 PolarHBondContact O-N 3.36Å; L701-L704 PolarHBondContact O-N 3.07Å; N702-L704 VanDerWaalsContact C-N 3.35Å; N702-L704 PolarHBondContact O-N 3.07Å; L704-A707 PolarHBondContact O-N 2.89Å; L704-A708 VanDerWaalsContact O-CB 3.31Å; L704-A708 WeakPolarHBondContact O-CB 3.34Å; L704-A708 PolarHBondContact O-N 3.4Å
705	A	87.8	Confident	83.3	Confident	49 Å²	49	104.9 Å²	104.9	41%	0.405	54%	0.543	S	S	.	.	H	α-helix	trans	-63.8	-44.2	175.9	0	0	0	0	0	111.8	L701 N702 A708 L709	L701-A705 WeakPolarHBondContact O-CB 3.33Å; L701-A705 PolarHBondContact O-N 3.47Å; N702-A705 PolarHBondContact O-N 2.97Å; A705-A708 PolarHBondContact O-N 2.99Å; A705-L709 WeakPolarHBondContact O-CB 3.33Å; A705-L709 WeakPolarHBondContact O-CG 3.45Å; A705-L709 PolarHBondContact O-N 3.21Å
706	F	87.2	Confident	81.7	Confident	151 Å²	151	113.2 Å²	113.2	66%	0.662	56%	0.562	S	S	*	*	H	α-helix	trans	-64.8	-41.8	174.3	-87.3	-72.7	0	0	0	112.5	N702 V703 L709 Y710	N702-F706 WeakPolarHBondContact O-CD2 3.41Å; N702-F706 PolarHBondContact O-N 2.87Å; V703-F706 PolarHBondContact O-N 3.32Å; F706-L709 PolarHBondContact O-N 3.29Å; F706-Y710 VanDerWaalsContact O-CB 3.31Å; F706-Y710 WeakPolarHBondContact O-CB 3.22Å; F706-Y710 PolarHBondContact O-N 3.15Å
707	A	86	Confident	80.3	Confident	54 Å²	54	120 Å²	120	45%	0.446	58%	0.575	S	S	.	*	H	α-helix	trans	-62	-42.7	174.7	0	0	0	0	0	111.9	V703 L704 Y710 Y711	V703-A707 WeakPolarHBondContact O-CB 3.42Å; V703-A707 PolarHBondContact O-N 2.86Å; L704-A707 PolarHBondContact O-N 2.89Å; A707-Y710 PolarHBondContact O-N 3.1Å; A707-Y711 WeakPolarHBondContact O-CB 3.32Å; A707-Y711 PolarHBondContact O-N 3Å
708	A	83.4	Confident	78.4	Confident	62 Å²	62	123.3 Å²	123.3	51%	0.512	58%	0.583	S	S	.	*	H	α-helix	trans	-63.8	-43.3	176	0	0	0	0	0	112	L704 A705 Y711 R712	L704-A708 VanDerWaalsContact O-CB 3.31Å; L704-A708 WeakPolarHBondContact O-CB 3.34Å; L704-A708 PolarHBondContact O-N 3.4Å; A705-A708 PolarHBondContact O-N 2.99Å; A708-Y711 PolarHBondContact O-N 3.09Å; A708-R712 WeakPolarHBondContact O-CB 2.99Å; A708-R712 PolarHBondContact O-N 3.07Å
709	L	81.3	Confident	76.2	Confident	110 Å²	110	127 Å²	127	58%	0.576	60%	0.598	S	S	*	*	H	α-helix	trans	-64.6	-41.2	174.9	-74.3	171	0	0	0	112.2	A705 F706 R712 K713	A705-L709 WeakPolarHBondContact O-CB 3.33Å; A705-L709 WeakPolarHBondContact O-CG 3.45Å; A705-L709 PolarHBondContact O-N 3.21Å; F706-L709 PolarHBondContact O-N 3.29Å; L709-R712 PolarHBondContact O-N 3.49Å; L709-K713 WeakPolarHBondContact O-CB 2.98Å; L709-K713 PolarHBondContact O-N 3.16Å
710	Y	81.8	Confident	73.8	Confident	172 Å²	172	126.7 Å²	126.7	68%	0.675	60%	0.603	S	S	*	*	H	α-helix	trans	-62.8	-47	176.4	-169.6	-88.3	0	0	0	111.2	F706 A707 R712 K713 D714	F706-Y710 VanDerWaalsContact O-CB 3.31Å; F706-Y710 WeakPolarHBondContact O-CB 3.22Å; F706-Y710 PolarHBondContact O-N 3.15Å; A707-Y710 PolarHBondContact O-N 3.1Å; Y710-R712 VanDerWaalsContact C-N 3.33Å; Y710-R712 PolarHBondContact O-N 3.49Å; Y710-K713 WeakPolarHBondContact O-CB 3.3Å; Y710-K713 PolarHBondContact O-N 3.05Å; Y710-K713 VanDerWaalsContact O-N 3.11Å; Y710-D714 PolarHBondContact O-N 3.13Å
711	Y	76.9	Confident	71.7	Confident	166 Å²	166	128.3 Å²	128.3	65%	0.651	62%	0.617	S	S	*	*	H	α-helix	trans	-62.2	-38.8	175.9	-168.1	-99.6	0	0	0	112.3	A707 A708 K713 D714 K715	A707-Y711 WeakPolarHBondContact O-CB 3.32Å; A707-Y711 PolarHBondContact O-N 3Å; A708-Y711 PolarHBondContact O-N 3.09Å; Y711-K713 VanDerWaalsContact C-N 3.31Å; Y711-K713 PolarHBondContact O-N 2.89Å; Y711-D714 PolarHBondContact O-N 2.91Å; Y711-K715 WeakPolarHBondContact O-CB 3.48Å; Y711-K715 PolarHBondContact O-N 2.95Å
712	R	75.6	Confident	68.9	Low	186 Å²	186	134.7 Å²	134.7	70%	0.702	63%	0.634	S	S	*	*	H	α-helix	trans	-66.1	-32	174.4	-135.1	175.7	-176.6	-172.3	0.5	112.6	A708 L709 Y710	A708-R712 WeakPolarHBondContact O-CB 2.99Å; A708-R712 PolarHBondContact O-N 3.07Å; L709-R712 PolarHBondContact O-N 3.49Å; Y710-R712 VanDerWaalsContact C-N 3.33Å; Y710-R712 PolarHBondContact O-N 3.49Å
713	K	73.4	Confident	66.6	Low	141 Å²	141	138 Å²	138	61%	0.613	65%	0.646	S	S	*	*	H	α-helix	trans	-75.6	-39.6	175.9	-172.8	176.4	-178.3	176.4	0	111.9	L709 Y710 Y711 R716 R717	L709-K713 WeakPolarHBondContact O-CB 2.98Å; L709-K713 PolarHBondContact O-N 3.16Å; Y710-K713 WeakPolarHBondContact O-CB 3.3Å; Y710-K713 PolarHBondContact O-N 3.05Å; Y710-K713 VanDerWaalsContact O-N 3.11Å; Y711-K713 VanDerWaalsContact C-N 3.31Å; Y711-K713 PolarHBondContact O-N 2.89Å; K713-R716 PolarHBondContact O-N 2.95Å; K713-R717 PolarHBondContact O-N 2.75Å
714	D	69.8	Low	63.9	Low	61 Å²	61	140 Å²	140	33%	0.326	66%	0.661	S	S	.	*	H	α-helix	trans	-69.8	-40.7	177.6	-164.6	58.3	0	0	0	112	Y710 Y711 R716 R717 Q718	Y710-D714 PolarHBondContact O-N 3.13Å; Y711-D714 PolarHBondContact O-N 2.91Å; D714-R716 PolarHBondContact O-N 2.81Å; D714-R716 VanDerWaalsContact O-N 3.15Å; D714-R717 WeakPolarHBondContact O-CA 3.44Å; D714-R717 WeakPolarHBondContact O-CB 3.22Å; D714-R717 PolarHBondContact O-N 3.15Å; D714-Q718 PolarHBondContact O-N 3.22Å; D714-Q718 PolarHBondContact OD2-NE2 2.75Å
715	K	62.5	Low	61.1	Low	150 Å²	150	140.4 Å²	140.4	65%	0.652	67%	0.671	S	S	*	*	H	α-helix	trans	-59.7	-27.2	173.9	-166.1	172.5	-176.7	177.9	0	113.3	Y711	Y711-K715 WeakPolarHBondContact O-CB 3.48Å; Y711-K715 PolarHBondContact O-N 2.95Å
716	R	56.7	Low	59	Low	214 Å²	214	144 Å²	144	81%	0.808	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-11.5	172.1	-75.3	-173.2	178.5	-169.5	0.1	114.4	K713 D714	K713-R716 PolarHBondContact O-N 2.95Å; D714-R716 PolarHBondContact O-N 2.81Å; D714-R716 VanDerWaalsContact O-N 3.15Å
717	R	56.2	Low	56.3	Low	199 Å²	199	146.2 Å²	146.2	75%	0.751	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-14.1	174.3	-77.6	-176.9	162.6	-169.3	-6.9	113.5	K713 D714	K713-R717 PolarHBondContact O-N 2.75Å; D714-R717 WeakPolarHBondContact O-CA 3.44Å; D714-R717 WeakPolarHBondContact O-CB 3.22Å; D714-R717 PolarHBondContact O-N 3.15Å
718	Q	48.4	Very low	53.7	Low	140 Å²	140	155.8 Å²	155.8	65%	0.654	73%	0.728	S	S	*	*	S	Bend	trans	-96.3	9.5	-175.8	-64.2	-170.8	14.4	0	0	115	D714 P720	D714-Q718 PolarHBondContact O-N 3.22Å; D714-Q718 PolarHBondContact OD2-NE2 2.75Å; Q718-P720 WeakPolarHBondContact O-CD 3.29Å
719	E	41.5	Very low	51.1	Low	173 Å²	173	156.6 Å²	156.6	81%	0.808	74%	0.742	S	S	*	*			trans	-94.5	110.2	167.2	-76.2	-167.5	145	0	0	110.8
720	P	39.1	Very low	48.6	Very low	117 Å²	117	156.6 Å²	156.6	76%	0.76	76%	0.758	S	S	*	*			trans	-84.7	154	173.2	-3.8	24.3	0	0	0	111.2	Q718	Q718-P720 WeakPolarHBondContact O-CD 3.29Å
721	L	45.4	Very low	46	Very low	166 Å²	166	152.1 Å²	152.1	87%	0.869	76%	0.763	S	S	*	*			trans	-51.6	137.6	-176.6	-64.7	89.5	0	0	0	114
722	R	30.6	Very low	43.7	Very low	243 Å²	243	148.9 Å²	148.9	92%	0.917	77%	0.771	S	S	*	*			trans	-124.3	106.4	151.2	-86.6	-172.9	169.1	176.4	-2.4	110.5
723	Q	36.4	Very low	42.2	Very low	167 Å²	167	145.3 Å²	145.3	78%	0.78	77%	0.772	S	S	*	*			trans	-68	156.2	157.4	-73	174.5	-40.3	0	0	110.1
724	P	33.2	Very low	40.3	Very low	127 Å²	127	146.9 Å²	146.9	83%	0.825	78%	0.781	S	S	*	*			trans	-127.4	140.9	138.5	34.1	-24.1	0	0	0	112.7
725	S	29.5	Very low	38.4	Very low	100 Å²	100	151.5 Å²	151.5	70%	0.699	81%	0.805	S	S	*	*			trans	-113.7	167.7	172	-54.9	0	0	0	0	109
726	P	43.7	Very low	36.7	Very low	125 Å²	125	147.8 Å²	147.8	81%	0.812	81%	0.81	S	S	*	*			trans	-93.2	168	-133.2	36.6	-39.8	0	0	0	116.1
727	Q	31.9	Very low	35.3	Very low	198 Å²	198	142.5 Å²	142.5	93%	0.925	81%	0.812	S	S	*	*			trans	-121.9	145.1	163.7	-86.8	-170.4	-19.9	0	0	113
728	R	30.6	Very low	34.1	Very low	255 Å²	255	137.6 Å²	137.6	96%	0.962	81%	0.814	S	S	*	*			trans	-71.4	153.6	175.9	-74.5	171.7	164.7	155.4	-6.6	111.5
729	G	29.2	Very low	33.6	Very low	79 Å²	79	137 Å²	137	81%	0.814	82%	0.822	S	S	*	*			trans	-105.4	180	179.4	0	0	0	0	0	115.9
730	A	28.7	Very low	33.1	Very low	110 Å²	110	137.9 Å²	137.9	91%	0.909	83%	0.826	S	S	*	*			trans	-169	144.5	161.4	0	0	0	0	0	106.3
731	G	26.4	Very low	32.7	Very low	77 Å²	77	141.3 Å²	141.3	79%	0.794	83%	0.832	S	S	*	*			cis	-159.2	170.5	-7.8	0	0	0	0	0	109.6
732	A	29.1	Very low	31.9	Very low	98 Å²	98	142.1 Å²	142.1	81%	0.81	83%	0.831	S	S	*	*			trans	-85.6	-174.3	-176.2	0	0	0	0	0	112.5
733	P	44.5	Very low	31.9	Very low	111 Å²	111	138.9 Å²	138.9	72%	0.721	83%	0.831	S	S	*	*				-144.1	150.9	59	37.5	-17.4	0	0	0	118.6
734	E	33	Very low	31.6	Very low	174 Å²	174	135.8 Å²	135.8	81%	0.813	83%	0.834	S	S	*	*			trans	56.3	154.5	135.8	-62.3	-173.6	141.6	0	0	121.7
735	L	30.5	Very low	31.6	Very low	158 Å²	158	134.3 Å²	134.3	83%	0.827	83%	0.833	S	S	*	*			cis	-160.8	145.1	15.9	-138	152.4	0	0	0	110.8
736	G	26.7	Very low	31.6	Very low	72 Å²	72	136.8 Å²	136.8	74%	0.742	84%	0.837	S	S	*	*			trans	150.6	108	162.9	0	0	0	0	0	118.3
737	A	28	Very low	30.9	Very low	104 Å²	104	138.5 Å²	138.5	86%	0.86	84%	0.835	S	S	*	*			trans	-54.1	169.7	-179.7	0	0	0	0	0	116.9
738	A	30.8	Very low	30.7	Very low	95 Å²	95	136.9 Å²	136.9	79%	0.785	83%	0.831	S	S	*	*			cis	-158.1	-173.7	29.4	0	0	0	0	0	112.2
739	P	37.8	Very low	30.4	Very low	127 Å²	127	128 Å²	128	83%	0.825	82%	0.819	S	S	*	*			trans	-119.3	-179.3	-135	42.7	-29.8	0	0	0	118.7
740	E	31.1	Very low	31.1	Very low	192 Å²	192	129.8 Å²	129.8	90%	0.897	82%	0.816	S	S	*	*			trans	-81.5	159.8	173.4	-59.2	173.8	121.7	0	0	114.2
741	E	29.4	Very low	31	Very low	189 Å²	189	130.5 Å²	130.5	88%	0.883	81%	0.809	S	S	*	*			trans	-156.1	102.6	155.8	-142.6	173.4	-153	0	0	105.9
742	E	28.9	Very low	31	Very low	183 Å²	183	134 Å²	134	86%	0.855	81%	0.805	S	S	*	*				87.2	125.3	73.2	-164.2	170.7	-141.3	0	0	114.5
743	L	31.5	Very low	30.9	Very low	176 Å²	176	136.6 Å²	136.6	92%	0.921	80%	0.8	S	S	*	*			trans	-92	123.5	175.9	-98.7	149.7	0	0	0	109.7
744	A	29.3	Very low	30	Very low	101 Å²	101	139.7 Å²	139.7	84%	0.835	81%	0.805	S	S	*	*			trans	-112.4	130.6	176	0	0	0	0	0	112.6
745	A	33.4	Very low	29.6	Very low	96 Å²	96	137.1 Å²	137.1	79%	0.793	80%	0.804	S	S	*	*			trans	-139.8	120.1	171.9	0	0	0	0	0	110.8
746	L	28.8	Very low	29.4	Very low	153 Å²	153	139 Å²	139	80%	0.801	81%	0.809	S	S	*	*			trans	-159.6	146.7	-176.5	-79.3	176.3	0	0	0	107.7
747	Q	28.6	Very low	29.4	Very low	161 Å²	161	140.6 Å²	140.6	75%	0.752	82%	0.816	S	S	*	*			cis	-164	178.6	-7.8	-146.8	165.5	21.1	0	0	110.9
748	L	27.6	Very low	29.3	Very low	163 Å²	163	138.9 Å²	138.9	85%	0.853	81%	0.807	S	S	*	*			trans	-47.4	162.7	179.8	-68.7	84.1	0	0	0	116.3
749	G	24.6	Very low	29.6	Very low	68 Å²	68	140.5 Å²	140.5	70%	0.701	81%	0.81	S	S	*	*			cis	177.3	-158	46.2	0	0	0	0	0	116.3
750	P	44.8	Very low	29.4	Very low	117 Å²	117	139.2 Å²	139.2	76%	0.76	80%	0.802	S	S	*	*			trans	-114.6	168.4	-141.7	41.8	-37.1	0	0	0	117.9
751	T	25.5	Very low	29.2	Very low	125 Å²	125	138.2 Å²	138.2	77%	0.767	80%	0.797	S	S	*	*				175	144.7	129.6	26.2	0	0	0	0	118.1
752	H	26.5	Very low	29	Very low	150 Å²	150	135.9 Å²	135.9	69%	0.694	79%	0.79	S	S	*	*			trans	68.6	121.1	145.9	-73.4	-63.7	0	0	0	126.7
753	H	27.3	Very low	28.8	Very low	154 Å²	154	133.2 Å²	133.2	71%	0.713	79%	0.787	S	S	*	*			trans	58.5	147.4	142.9	-62.6	-56.5	0	0	0	121
754	E	25.6	Very low	28.5	Very low	175 Å²	175	132.9 Å²	132.9	82%	0.818	79%	0.785	S	S	*	*			cis	-149.6	-178.7	11.1	-140	163	-167	0	0	113.1
755	C	25.2	Very low	28.3	Very low	120 Å²	120	138.4 Å²	138.4	81%	0.811	78%	0.784	S	S	*	*			trans	-77.7	160.2	-171.3	-52.7	0	0	0	0	113.8
756	E	25.2	Very low	28.1	Very low	198 Å²	198	142.1 Å²	142.1	93%	0.925	79%	0.79	S	S	*	*				-154.8	160.4	78.5	-101.3	-177.2	149.2	0	0	114.6
757	A	26.9	Very low	27.9	Very low	106 Å²	106	140.7 Å²	140.7	88%	0.876	79%	0.788	S	S	*	*			trans	-106.1	163.7	176.2	0	0	0	0	0	110.8
758	G	27.3	Very low	27.8	Very low	67 Å²	67	137.4 Å²	137.4	69%	0.691	79%	0.788	S	S	*	*			cis	179.2	-149.9	4.3	0	0	0	0	0	106.6
759	P	36	Very low	27.7	Very low	129 Å²	129	137.6 Å²	137.6	84%	0.838	79%	0.789	S	S	*	*			cis	-124.3	-142.8	-15.9	43.3	-23	0	0	0	110.5
760	P	33.6	Very low	28	Very low	100 Å²	100	140.2 Å²	140.2	65%	0.649	79%	0.793	S	S	*	*				-120.8	-155.6	-125.6	36.7	-13.3	0	0	0	115.2
761	H	26.6	Very low	27	Very low	172 Å²	172	141.9 Å²	141.9	80%	0.796	80%	0.796	S	S	*	*			trans	86.9	127.1	-169.4	-51.5	-76.1	0	0	0	113
762	D	25.3	Very low	27.3	Very low	139 Å²	139	145.7 Å²	145.7	74%	0.743	80%	0.798	S	S	*	*			cis	-143.7	167.1	4	-137.8	-32.8	0	0	0	113.3	L764	D762-L764 PolarHBondContact O-N 3.09Å
763	T	25.4	Very low	27.4	Very low	127 Å²	127	144.1 Å²	144.1	78%	0.779	80%	0.799	S	S	*	*			trans	-69.6	113.2	-169.9	34.2	0	0	0	0	115	R765	T763-R765 PolarHBondContact O-N 2.81Å; T763-R765 VanDerWaalsContact O-N 3.07Å
764	L	25.3	Very low	27.6	Very low	169 Å²	169	144 Å²	144	89%	0.885	80%	0.803	S	S	*	*			trans	-64.1	102.8	162.6	-84.6	164.3	0	0	0	110.7	D762 L766	D762-L764 PolarHBondContact O-N 3.09Å; L764-L766 PolarHBondContact O-N 3.49Å
765	R	25.7	Very low	27.8	Very low	218 Å²	218	140.4 Å²	140.4	82%	0.823	79%	0.793	S	S	*	*			trans	-76.6	108.6	160	-88.7	-171	170.7	-170.3	-1.1	109.3	T763 T767	T763-R765 PolarHBondContact O-N 2.81Å; T763-R765 VanDerWaalsContact O-N 3.07Å; R765-T767 PolarHBondContact O-N 2.63Å; R765-T767 VanDerWaalsContact O-N 3.15Å
766	L	27.4	Very low	28.1	Very low	174 Å²	174	142.7 Å²	142.7	91%	0.911	80%	0.796	S	S	*	*			trans	-60.7	112.2	152.5	-81.9	102.4	0	0	0	108.3	L764	L764-L766 PolarHBondContact O-N 3.49Å
767	T	26.5	Very low	29	Very low	123 Å²	123	140.2 Å²	140.2	76%	0.755	78%	0.778	S	S	*	*			trans	-105	129.5	161	40.4	0	0	0	0	108.6	R765	R765-T767 PolarHBondContact O-N 2.63Å; R765-T767 VanDerWaalsContact O-N 3.15Å
768	A	26.4	Very low	29.7	Very low	91 Å²	91	141.6 Å²	141.6	75%	0.752	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-66.9	156.2	-179.4	0	0	0	0	0	111.6
769	L	25	Very low	30.5	Very low	167 Å²	167	139.3 Å²	139.3	87%	0.874	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-57.5	134.6	168	-76.4	90.9	0	0	0	109.6	D771	L769-D771 PolarHBondContact O-N 2.99Å
770	P	29.8	Very low	31	Very low	123 Å²	123	134.1 Å²	134.1	80%	0.799	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-71.7	126	171.1	-12.7	27.6	0	0	0	110.7	Y772	P770-Y772 PolarHBondContact O-N 3.26Å
771	D	24.3	Very low	31.7	Very low	153 Å²	153	132.4 Å²	132.4	82%	0.818	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-60.4	126.2	171.9	-87.2	-50.7	0	0	0	111.3	L769 T773	L769-D771 PolarHBondContact O-N 2.99Å; D771-T773 VanDerWaalsContact C-N 3.27Å; D771-T773 PolarHBondContact O-N 3Å
772	Y	32.8	Very low	32.4	Very low	205 Å²	205	129 Å²	129	80%	0.804	67%	0.674	S	S	*	*			trans	-79.2	70.9	-173.8	-151.6	-89.9	0	0	0	111.9	P770	P770-Y772 PolarHBondContact O-N 3.26Å
773	T	28.3	Very low	33.6	Very low	117 Å²	117	124 Å²	124	72%	0.718	65%	0.646	S	S	*	*			trans	-123	111.6	174.2	54.9	0	0	0	0	112.1	D771	D771-T773 VanDerWaalsContact C-N 3.27Å; D771-T773 PolarHBondContact O-N 3Å
774	L	31.7	Very low	34.1	Very low	151 Å²	151	121.2 Å²	121.2	79%	0.791	63%	0.631	S	S	*	*			trans	56.1	72.4	160.5	-67.3	164.2	0	0	0	117.9	L776	L774-L776 PolarHBondContact O-N 3.21Å
775	T	28.8	Very low	35	Very low	99 Å²	99	116.5 Å²	116.5	61%	0.607	61%	0.606	S	S	*	*			trans	-78.2	95.9	149.9	39.2	0	0	0	0	110.4	R777	T775-R777 PolarHBondContact O-N 3.39Å
776	L	31.9	Very low	35.5	Very low	169 Å²	169	113 Å²	113	89%	0.885	60%	0.601	S	S	*	*			trans	-73.9	66.6	163.9	-107	148.9	0	0	0	109.7	L774	L774-L776 PolarHBondContact O-N 3.21Å
777	R	44.3	Very low	35.7	Very low	145 Å²	145	109.3 Å²	109.3	55%	0.547	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-84.1	125.8	167.5	-75.9	174.5	167.3	167.1	-4.8	107.5	T775 S779	T775-R777 PolarHBondContact O-N 3.39Å; R777-S779 PolarHBondContact O-N 2.87Å
778	R	41.4	Very low	35.9	Very low	135 Å²	135	109.1 Å²	109.1	51%	0.509	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-57.2	131.1	170.7	-72.1	-176.8	-178.6	160.4	-0.1	109.2	K452 D782	K452-R778 PolarHBondContact NZ-O 3.02Å; R778-D782 HydrophobicContact CB-CB 4.15Å; R778-D782 HydrophobicContact CG-CB 4.42Å
779	S	44.3	Very low	36.2	Very low	20 Å²	20	111.6 Å²	111.6	14%	0.14	59%	0.587	C	S	.	*	P	Polyproline II helix	trans	-61.9	153.7	163.9	-173.9	0	0	0	0	109.1	R777 D781 D782	R777-S779 PolarHBondContact O-N 2.87Å; S779-D781 PolarHBondContact O-N 2.9Å; S779-D781 VanDerWaalsContact O-N 3.1Å; S779-D781 VanDerWaalsContact OG-CG 3.29Å; S779-D781 PolarHBondContact OG-N 3.13Å; S779-D781 PolarHBondContact OG-OD2 2.82Å; S779-D782 WeakPolarHBondContact CB-OD2 3.34Å; S779-D782 PolarHBondContact N-OD2 2.51Å; S779-D782 PolarHBondContact O-N 2.86Å
780	P	47.1	Very low	36.5	Very low	20 Å²	20	107.6 Å²	107.6	13%	0.13	57%	0.569	C	S	.	*	T	Hydrogen-bonded Turn	trans	-53.9	-20	161.3	-24.9	35.7	0	0	0	113.4	K452 A456	K452-P780 HydrophobicContact CB-CG 4.4Å; A456-P780 HydrophobicContact CB-CB 4.36Å
781	D	47	Very low	36.6	Very low	64 Å²	64	109.2 Å²	109.2	34%	0.342	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.2	-24.2	172.5	-43	-52.9	0	0	0	113.2	Y487 R597 S779	Y487-D781 WeakPolarHBondContact CE1-OD2 3.48Å; Y487-D781 VanDerWaalsContact OH-CG 3.29Å; Y487-D781 PolarHBondContact OH-OD1 3.1Å; Y487-D781 PolarHBondContact OH-OD2 3.09Å; R597-D781 WeakPolarHBondContact CD-OD1 3.3Å; R597-D781 WeakPolarHBondContact CG-OD1 3.37Å; R597-D781 IonicContact CZ-OD1 2.69Å; R597-D781 IonicContact NE-OD1 2.7Å; R597-D781 IonicContact NH1-OD1 2.71Å; R597-D781 PolarHBondContact NH1-OD1 3.37Å; S779-D781 PolarHBondContact O-N 2.9Å; S779-D781 VanDerWaalsContact O-N 3.1Å; S779-D781 VanDerWaalsContact OG-CG 3.29Å; S779-D781 PolarHBondContact OG-N 3.13Å; S779-D781 PolarHBondContact OG-OD2 2.82Å
782	D	42.3	Very low	36.9	Very low	101 Å²	101	107.5 Å²	107.5	54%	0.54	57%	0.565	S	S	.	*	S	Bend	trans	-95.1	8	-176.6	-58.9	-51.2	0	0	0	112.8	R778 S779 P784	R778-D782 HydrophobicContact CB-CB 4.15Å; R778-D782 HydrophobicContact CG-CB 4.42Å; S779-D782 WeakPolarHBondContact CB-OD2 3.34Å; S779-D782 PolarHBondContact N-OD2 2.51Å; S779-D782 PolarHBondContact O-N 2.86Å; D782-P784 VanDerWaalsContact O-CD 3.25Å; D782-P784 WeakPolarHBondContact O-CD 3.48Å
783	I	50.1	Low	36.7	Very low	32 Å²	32	106.1 Å²	106.1	16%	0.164	57%	0.568	C	S	.	*			trans	-72.2	111.9	177.6	-67.3	174.5	0	0	0	108.4	D440 T453 L785	D440-I783 HydrophobicContact CB-CG2 3.88Å; D440-I783 VanDerWaalsContact CG-CG2 3.47Å; T453-I783 HydrophobicContact CG2-CD1 3.76Å; I783-L785 PolarHBondContact O-N 3.42Å; I783-L785 VanDerWaalsContact O-N 3.07Å
784	P	36.4	Very low	36.7	Very low	70 Å²	70	108 Å²	108	46%	0.455	57%	0.572	S	S	.	*			trans	-76.8	103.8	-172.9	31.3	-32.9	0	0	0	110.4	A442 D782	A442-P784 HydrophobicContact CB-CG 4.27Å; D782-P784 VanDerWaalsContact O-CD 3.25Å; D782-P784 WeakPolarHBondContact O-CD 3.48Å
785	L	42.6	Very low	36.6	Very low	69 Å²	69	105.5 Å²	105.5	36%	0.361	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-71.5	145.7	165.8	-66.3	173.7	0	0	0	110.2	T599 I783 T787	T599-L785 HydrophobicContact CG2-CD1 4.07Å; I783-L785 PolarHBondContact O-N 3.42Å; I783-L785 VanDerWaalsContact O-N 3.07Å; L785-T787 PolarHBondContact O-N 3.01Å
786	M	37.3	Very low	36.7	Very low	146 Å²	146	108.9 Å²	108.9	72%	0.719	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-51.1	131	177.1	-77.4	-86.9	-176.3	0	0	111	T790	M786-T790 HydrophobicContact SD-CG2 4.09Å
787	T	30.3	Very low	36.7	Very low	95 Å²	95	105.5 Å²	105.5	58%	0.583	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-59	152.5	174.2	52.8	0	0	0	0	111.4	L785 N789 T790	L785-T787 PolarHBondContact O-N 3.01Å; T787-N789 PolarHBondContact O-N 2.96Å; T787-T790 PolarHBondContact O-N 2.69Å; T787-T790 PolarHBondContact O-OG1 2.9Å
788	P	32.1	Very low	36	Very low	119 Å²	119	106.8 Å²	106.8	77%	0.773	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-53.9	-20.4	-174.2	-29.2	35.9	0	0	0	116.5	T790	P788-T790 PolarHBondContact O-N 3.46Å
789	N	31.6	Very low	35.4	Very low	144 Å²	144	107.8 Å²	107.8	77%	0.77	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-73	-1.7	-176.1	-64.9	-12.7	0	0	0	115.2	T787	T787-N789 PolarHBondContact O-N 2.96Å
790	T	32.3	Very low	34.7	Very low	82 Å²	82	109.8 Å²	109.8	50%	0.503	63%	0.631	S	S	.	*	G	3₁₀ helix	trans	-92.2	-8.6	-179.5	-35	0	0	0	0	113.6	M786 T787 P788 T792	M786-T790 HydrophobicContact SD-CG2 4.09Å; T787-T790 PolarHBondContact O-N 2.69Å; T787-T790 PolarHBondContact O-OG1 2.9Å; P788-T790 PolarHBondContact O-N 3.46Å; T790-T792 VanDerWaalsContact C-N 3.3Å; T790-T792 PolarHBondContact O-N 3.42Å; T790-T792 VanDerWaalsContact O-N 3.14Å
791	I	32.1	Very low	33.7	Very low	158 Å²	158	116.7 Å²	116.7	81%	0.81	67%	0.666	S	S	*	*			trans	-90	62.5	177.1	-45.7	-178.4	0	0	0	111.2
792	T	30.9	Very low	32.8	Very low	116 Å²	116	122 Å²	122	71%	0.712	69%	0.689	S	S	*	*			trans	-144.3	108.7	157.7	52.7	0	0	0	0	108.9	T790	T790-T792 VanDerWaalsContact C-N 3.3Å; T790-T792 PolarHBondContact O-N 3.42Å; T790-T792 VanDerWaalsContact O-N 3.14Å
793	M	27.6	Very low	32	Very low	176 Å²	176	123.6 Å²	123.6	87%	0.867	70%	0.702	S	S	*	*			trans	167.5	81.1	150.2	-87.9	-91.8	-90.6	0	0	110
794	I	28.7	Very low	30.9	Very low	158 Å²	158	130.3 Å²	130.3	81%	0.81	74%	0.737	S	S	*	*			trans	-114	111.5	156.9	-59.3	178.1	0	0	0	106.6	N796	I794-N796 PolarHBondContact O-N 3.47Å
795	P	29.3	Very low	30.5	Very low	98 Å²	98	135.6 Å²	135.6	64%	0.636	76%	0.756	S	S	*	*			trans	-72	124	172.2	-16	30.8	0	0	0	110.6	S797	P795-S797 PolarHBondContact O-N 2.88Å
796	N	30.6	Very low	30.6	Very low	170 Å²	170	136.9 Å²	136.9	91%	0.909	77%	0.768	S	S	*	*			trans	-68.1	92.3	169.7	-84.1	-27.5	0	0	0	110.6	I794	I794-N796 PolarHBondContact O-N 3.47Å
797	S	32.6	Very low	30.1	Very low	97 Å²	97	139.7 Å²	139.7	68%	0.678	77%	0.772	S	S	*	*			trans	-154.1	79	169.7	63.3	0	0	0	0	112.9	P795	P795-S797 PolarHBondContact O-N 2.88Å
798	L	28.8	Very low	29.9	Very low	172 Å²	172	141 Å²	141	90%	0.901	78%	0.775	S	S	*	*			trans	-156.7	65.5	161.3	-110.6	165.9	0	0	0	111
799	V	28.7	Very low	29.7	Very low	157 Å²	157	140.5 Å²	140.5	95%	0.952	77%	0.77	S	S	*	*			trans	-110.3	113.8	162.1	178.6	0	0	0	0	107.8
800	G	29.8	Very low	29.4	Very low	61 Å²	61	143 Å²	143	63%	0.629	78%	0.775	S	S	*	*			trans	112.9	93.4	170	0	0	0	0	0	115
801	L	26.7	Very low	29.1	Very low	166 Å²	166	143.3 Å²	143.3	87%	0.869	79%	0.785	S	S	*	*				-162.8	164.6	122.9	-102.9	158.6	0	0	0	110.1
802	Q	27.9	Very low	28.9	Very low	176 Å²	176	141 Å²	141	82%	0.822	79%	0.79	S	S	*	*			trans	-85.3	150.9	-149.3	-68	160.8	-61.5	0	0	115.2
803	T	25.4	Very low	28.6	Very low	133 Å²	133	138.7 Å²	138.7	82%	0.816	79%	0.789	S	S	*	*			trans	-62.6	125	164.7	50.2	0	0	0	0	111.7
804	L	27	Very low	28.6	Very low	174 Å²	174	139.5 Å²	139.5	91%	0.911	79%	0.788	S	S	*	*			trans	-128.2	128.1	155.2	-86.1	169.1	0	0	0	108.9
805	H	27.8	Very low	28.5	Very low	181 Å²	181	138.1 Å²	138.1	84%	0.838	78%	0.782	S	S	*	*			trans	-106.8	175.2	-172.4	-114.8	-23.4	0	0	0	110.8
806	P	45.8	Very low	28.3	Very low	95 Å²	95	137.9 Å²	137.9	62%	0.617	78%	0.783	S	S	*	*			trans	-102.1	177.8	-133.3	40.9	-36.4	0	0	0	113.7
807	Y	26.7	Very low	28.2	Very low	205 Å²	205	137 Å²	137	80%	0.804	78%	0.784	S	S	*	*				-177.4	139.5	129.2	-102	-60.6	0	0	0	115.3
808	N	26.5	Very low	28	Very low	123 Å²	123	136.2 Å²	136.2	66%	0.658	79%	0.791	S	S	*	*			trans	70.9	104.1	138.1	-80.6	-4.5	0	0	0	125.2
809	T	26.9	Very low	28	Very low	108 Å²	108	136 Å²	136	66%	0.663	79%	0.79	S	S	*	*				65.1	127.3	114.3	58.8	0	0	0	0	124.9
810	F	25.7	Very low	28.7	Very low	198 Å²	198	132.8 Å²	132.8	87%	0.868	77%	0.772	S	S	*	*			trans	80.7	122.9	136	-85.4	-63.5	0	0	0	123.5
811	A	26.2	Very low	28.7	Very low	87 Å²	87	138.1 Å²	138.1	72%	0.719	78%	0.78	S	S	*	*			trans	82.6	115	131.7	0	0	0	0	0	122.9
812	A	27.3	Very low	28.8	Very low	110 Å²	110	134.3 Å²	134.3	91%	0.909	77%	0.768	S	S	*	*			trans	71.2	135.2	133.3	0	0	0	0	0	122.2
813	G	25.5	Very low	28.8	Very low	67 Å²	67	134.8 Å²	134.8	69%	0.691	77%	0.77	S	S	*	*			trans	130.7	89.6	133	0	0	0	0	0	120
814	F	26.4	Very low	29	Very low	193 Å²	193	133.4 Å²	133.4	85%	0.846	77%	0.765	S	S	*	*			trans	55.9	130	138.3	-79.6	-79.2	0	0	0	124.8
815	N	26.2	Very low	29.3	Very low	130 Å²	130	130.5 Å²	130.5	70%	0.695	76%	0.755	S	S	*	*			trans	74.9	107.1	135.9	-81	-9.3	0	0	0	123.5
816	S	26.7	Very low	29.6	Very low	93 Å²	93	127.5 Å²	127.5	65%	0.65	75%	0.75	S	S	*	*				59.7	114	108.8	-52.7	0	0	0	0	121.1
817	T	28.2	Very low	28.9	Very low	152 Å²	152	133.8 Å²	133.8	93%	0.933	76%	0.761	S	S	*	*				161.1	153.8	110.1	40.7	0	0	0	0	111.9
818	G	28.1	Very low	29.6	Very low	80 Å²	80	134 Å²	134	83%	0.825	78%	0.783	S	S	*	*			trans	119.4	84.5	158.4	0	0	0	0	0	118.7
819	L	27.7	Very low	29.8	Very low	168 Å²	168	134.6 Å²	134.6	88%	0.88	79%	0.789	S	S	*	*			trans	-81.9	178.4	154	-80	165.7	0	0	0	110.1
820	P	45	Very low	29.9	Very low	88 Å²	88	135.9 Å²	135.9	57%	0.571	80%	0.796	S	S	*	*			cis	-135.3	-164.3	-16	21.9	4.7	0	0	0	114
821	H	28.6	Very low	30.2	Very low	173 Å²	173	132.5 Å²	132.5	80%	0.801	79%	0.792	S	S	*	*			trans	88.1	142	160.8	-57.1	-48.3	0	0	0	117.5
822	S	28.4	Very low	30.4	Very low	87 Å²	87	135.2 Å²	135.2	61%	0.608	80%	0.796	S	S	*	*			cis	-173.1	145.2	-7.6	47.8	0	0	0	0	112.7
823	H	29.6	Very low	30.6	Very low	186 Å²	186	136.8 Å²	136.8	86%	0.861	79%	0.789	S	S	*	*			trans	54.8	152.5	158.5	-56.3	-64.3	0	0	0	118
824	S	29.6	Very low	30.9	Very low	103 Å²	103	141.4 Å²	141.4	72%	0.72	80%	0.796	S	S	*	*			cis	-153.8	173.2	13.6	-155.9	0	0	0	0	112.6
825	T	32.1	Very low	31.2	Very low	113 Å²	113	137.7 Å²	137.7	69%	0.693	79%	0.792	S	S	*	*			trans	-51.4	169.5	163.6	58.9	0	0	0	0	113.4
826	T	33.7	Very low	31.6	Very low	119 Å²	119	138.3 Å²	138.3	73%	0.73	80%	0.8	S	S	*	*			cis	-166.4	130.2	33.3	-22.7	0	0	0	0	111
827	R	32.3	Very low	32	Very low	227 Å²	227	142.1 Å²	142.1	86%	0.857	81%	0.812	S	S	*	*				27.7	127.2	122.2	-145.7	-173.1	-153.6	177.2	6.3	120.5
828	V	41.2	Very low	32.4	Very low	209 Å²	209	141.2 Å²	141.2	100%	1.267	80%	0.801	S	S	*	*				-130.9	0	114.8	177.2	0	0	0	0	106.9

Retrieved 828 of 828 residues in 177.5 ms (Link to these results)

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