X5D7L6_HUMAN Loading...

Neuroligin 3 isoform C

AlphaFold DB , UniProt , Accession X5D7L6, Species HUMAN (Homo sapiens, Human), Gene NLGN3, Length 808 aa.

						>X5D7L6_HUMAN|X5D7L6|NLGN3
MWLRLGPPSLSLSPKPTVGRSLCLTLWFLSLALRASTQAPAPTVNTHFGKLRGARVPLPSEILGPVDQYLGVPYAAPPIGEKRFLPPEPPPSWSGIRNATHFPPVCPQNIHTAVPEVMLPVWFTANLDIVATYIQEPNEDCLYLNVYVPTEDDIRDSGAKPVMVYIHGGSYMEGTGNMIDGSILASYGNVIVITLNYRVGVLGFLSTGDQAAKGNYGLLDQIQALRWVSENIAFFGGDPRRITVFGSGIGASCVSLLTLSHHSEGLFQRAIIQSGSALSSWAVNYQPVKYTSLLADKVGCNVLDTVDMVDCLRQKSAKELVEQDIQPARYHVAFGPVIDGDVIPDDPEILMEQGEFLNYDIMLGVNQGEGLKFVEGVVDPEDGVSGTDFDYSVSNFVDNLYGYPEGKDTLRETIKFMYTDWADRDNPETRRKTLVALFTDHQWVEPSVVTADLHARYGSPTYFYAFYHHCQSLMKPAWSDAAHGDEVPYVFGVPMVGPTDLFPCNFSKNDVMLSAVVMTYWTNFAKTGDPNKPVPQDTKFIHTKANRFEEVAWSKYNPRDQLYLHIGLKPRVRDHYRATKVAFWKHLVPHLYNLHDMFHYTSTTTKVPPPDTTHSSHITRRPNGKTWSTKRPAISPAYSNENAQGSWNGDQDAGPLLVENPRDYSTELSVTIAVGASLLFLNVLAFAALYYRKDKRRQEPLRQPSPQRGAGAPELGAAPEEELAALQLGPTHHECEAGPPHDTLRLTALPDYTLTLRRSPDDIPLMTPNTITMIPNSLVGLQTLHPYNTFAAGFNSTGLPHSHSTTRV
					

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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	33.4	Very low	38.9	Very low	226 Å²	226	151.2 Å²	151.2	100%	1.113	82%	0.821	S	S	*	*				0	126.1	0	-176.1	169.4	168.5	0	0	107.5
2	W	34.1	Very low	38.6	Very low	232 Å²	232	153.6 Å²	153.6	88%	0.879	83%	0.831	S	S	*	*			trans	69.2	78.2	167	-70.1	51.3	0	0	0	121.3
3	L	39	Very low	38.1	Very low	152 Å²	152	150.4 Å²	150.4	80%	0.796	83%	0.828	S	S	*	*				22.7	123	109.8	-109.8	168.9	0	0	0	121.3
4	R	39	Very low	39.7	Very low	207 Å²	207	147.6 Å²	147.6	78%	0.781	82%	0.82	S	S	*	*				152.2	138.1	116.7	-87.6	179.7	174.7	-151.8	-2.9	117.4
5	L	38.1	Very low	39.9	Very low	161 Å²	161	151.4 Å²	151.4	84%	0.843	83%	0.825	S	S	*	*			trans	50.5	151.5	138.2	-53.8	168.2	0	0	0	120.6
6	G	32.9	Very low	40.5	Very low	67 Å²	67	148.9 Å²	148.9	69%	0.691	82%	0.818	S	S	*	*			cis	-168.6	-169.5	6.9	0	0	0	0	0	113.2
7	P	56.8	Low	41.3	Very low	127 Å²	127	147.4 Å²	147.4	83%	0.825	82%	0.815	S	S	*	*			trans	-105.4	-173.8	-159.5	43.7	-39	0	0	0	115.2
8	P	45.6	Very low	41.9	Very low	124 Å²	124	145.7 Å²	145.7	81%	0.805	81%	0.809	S	S	*	*				-149.7	-167.2	87.8	41.9	-23.1	0	0	0	115.6
9	S	36.9	Very low	42.4	Very low	108 Å²	108	140.7 Å²	140.7	76%	0.755	79%	0.794	S	S	*	*			trans	-147.9	-171.1	176.1	61.2	0	0	0	0	109.4
10	L	40.6	Very low	42.9	Very low	150 Å²	150	143.9 Å²	143.9	79%	0.785	79%	0.792	S	S	*	*			cis	-167.7	155.7	18.4	-141.8	175.2	0	0	0	108.5
11	S	31.2	Very low	43.5	Very low	109 Å²	109	140.8 Å²	140.8	76%	0.762	78%	0.781	S	S	*	*			trans	163.7	153.3	130.8	54.3	0	0	0	0	116.2
12	L	35.3	Very low	44.7	Very low	180 Å²	180	135.6 Å²	135.6	94%	0.942	76%	0.757	S	S	*	*			trans	-159.3	159.3	162.6	-117.5	156.9	0	0	0	110.2
13	S	32.8	Very low	46.1	Very low	112 Å²	112	128.7 Å²	128.7	78%	0.783	74%	0.744	S	S	*	*			trans	-105	152.9	-163.4	-168.6	0	0	0	0	114.1
14	P	60.2	Low	47.5	Very low	111 Å²	111	126 Å²	126	72%	0.721	73%	0.73	S	S	*	*			trans	-113.1	149.8	-164.9	39.9	-32.6	0	0	0	117.2
15	K	43.2	Very low	49	Very low	205 Å²	205	120 Å²	120	89%	0.891	72%	0.716	S	S	*	*			trans	167.9	166.7	146.7	-98.8	165.2	-173.9	-180	0	110.4
16	P	48.3	Very low	50.4	Low	111 Å²	111	117.4 Å²	117.4	72%	0.721	70%	0.702	S	S	*	*			cis	-120.2	171.9	-16.1	38.9	-25.1	0	0	0	113.1
17	T	54.9	Low	52.2	Low	123 Å²	123	122.1 Å²	122.1	76%	0.755	70%	0.699	S	S	*	*			trans	-93.5	-8.5	-171.7	37.2	0	0	0	0	116.8	G19 R20	T17-G19 PolarHBondContact O-N 3.05Å; T17-R20 PolarHBondContact O-N 3.33Å
18	V	51.9	Low	52.9	Low	118 Å²	118	122.2 Å²	122.2	72%	0.715	69%	0.687	S	S	*	*	H	α-helix	trans	-62.3	-42.3	-165.7	-178.3	0	0	0	0	113.9	R20 S21	V18-R20 VanDerWaalsContact C-N 3.25Å; V18-R20 PolarHBondContact O-N 2.9Å; V18-R20 VanDerWaalsContact O-N 3.16Å; V18-S21 PolarHBondContact O-N 3.49Å
19	G	50.6	Low	53.8	Low	50 Å²	50	121.8 Å²	121.8	52%	0.515	68%	0.677	S	S	.	*	H	α-helix	trans	-61.6	-26.8	-174.1	0	0	0	0	0	115	T17 S21 C23	T17-G19 PolarHBondContact O-N 3.05Å; G19-S21 PolarHBondContact O-N 3.39Å; G19-C23 PolarHBondContact O-N 3.31Å; G19-C23 VanDerWaalsContact O-N 3.15Å; G19-C23 PolarHBondContact O-SG 2.89Å
20	R	53.6	Low	54.9	Low	204 Å²	204	119.1 Å²	119.1	77%	0.77	66%	0.658	S	S	*	*	H	α-helix	trans	-65.5	-35.5	-179.4	-80.3	-174.6	168.6	-175.9	-4.1	113.1	T17 V18 L24	T17-R20 PolarHBondContact O-N 3.33Å; V18-R20 VanDerWaalsContact C-N 3.25Å; V18-R20 PolarHBondContact O-N 2.9Å; V18-R20 VanDerWaalsContact O-N 3.16Å; R20-L24 WeakPolarHBondContact O-CB 3.36Å; R20-L24 WeakPolarHBondContact O-CG 3.44Å; R20-L24 PolarHBondContact O-N 3.42Å
21	S	54.2	Low	55.7	Low	79 Å²	79	115.9 Å²	115.9	55%	0.552	64%	0.642	S	S	*	*	H	α-helix	trans	-71.1	-40.3	-177.9	-174.1	0	0	0	0	111.7	V18 G19 L24 T25	V18-S21 PolarHBondContact O-N 3.49Å; G19-S21 PolarHBondContact O-N 3.39Å; S21-L24 PolarHBondContact O-N 2.89Å; S21-T25 PolarHBondContact O-N 3.37Å; S21-T25 PolarHBondContact O-OG1 3.04Å
22	L	60.2	Low	56.7	Low	117 Å²	117	113.4 Å²	113.4	61%	0.613	63%	0.628	S	S	*	*	H	α-helix	trans	-69.5	-39.2	177.6	-156.7	76.2	0	0	0	112.2	T25 L26	L22-T25 PolarHBondContact O-OG1 3.12Å; L22-T25 VanDerWaalsContact O-OG1 3.12Å; L22-L26 HydrophobicContact CG-CD1 4.41Å; L22-L26 WeakPolarHBondContact O-CB 3.44Å; L22-L26 WeakPolarHBondContact O-CG 3.21Å; L22-L26 PolarHBondContact O-N 3.28Å
23	C	61.9	Low	57.5	Low	88 Å²	88	110.5 Å²	110.5	60%	0.595	61%	0.613	S	S	*	*	H	α-helix	trans	-63.5	-40.9	172.5	-70.2	0	0	0	0	111.9	G19 W27	G19-C23 PolarHBondContact O-N 3.31Å; G19-C23 VanDerWaalsContact O-N 3.15Å; G19-C23 PolarHBondContact O-SG 2.89Å; C23-W27 VanDerWaalsContact O-CB 3.3Å; C23-W27 WeakPolarHBondContact O-CB 3.33Å; C23-W27 PolarHBondContact O-N 3.04Å
24	L	68.4	Low	58.3	Low	96 Å²	96	114.5 Å²	114.5	50%	0.503	61%	0.61	S	S	.	*	H	α-helix	trans	-63.4	-45.4	177.1	-83.4	163.7	0	0	0	112.3	R20 S21 W27 F28	R20-L24 WeakPolarHBondContact O-CB 3.36Å; R20-L24 WeakPolarHBondContact O-CG 3.44Å; R20-L24 PolarHBondContact O-N 3.42Å; S21-L24 PolarHBondContact O-N 2.89Å; L24-W27 PolarHBondContact O-N 3.35Å; L24-F28 HydrophobicContact CD2-CE2 4.35Å; L24-F28 WeakPolarHBondContact O-CD2 3.41Å; L24-F28 PolarHBondContact O-N 3.15Å
25	T	70.8	Confident	57.6	Low	79 Å²	79	113 Å²	113	49%	0.485	61%	0.608	S	S	.	*	H	α-helix	trans	-66.5	-40	178.6	51.7	0	0	0	0	112.2	S21 L22 W27 F28 L29	S21-T25 PolarHBondContact O-N 3.37Å; S21-T25 PolarHBondContact O-OG1 3.04Å; L22-T25 PolarHBondContact O-OG1 3.12Å; L22-T25 VanDerWaalsContact O-OG1 3.12Å; T25-W27 VanDerWaalsContact C-N 3.35Å; T25-F28 PolarHBondContact O-N 3.46Å; T25-L29 WeakPolarHBondContact O-CB 3.44Å; T25-L29 PolarHBondContact O-N 3.29Å
26	L	68.6	Low	57.6	Low	108 Å²	108	108.2 Å²	108.2	57%	0.565	60%	0.6	S	S	*	*	H	α-helix	trans	-63.1	-38.9	172.2	-73.5	168	0	0	0	112.3	L22 L29 S30	L22-L26 HydrophobicContact CG-CD1 4.41Å; L22-L26 WeakPolarHBondContact O-CB 3.44Å; L22-L26 WeakPolarHBondContact O-CG 3.21Å; L22-L26 PolarHBondContact O-N 3.28Å; L26-L29 PolarHBondContact O-N 3.37Å; L26-S30 WeakPolarHBondContact O-CB 3.39Å; L26-S30 PolarHBondContact O-N 3.17Å
27	W	70.7	Confident	57.4	Low	165 Å²	165	108.4 Å²	108.4	63%	0.625	60%	0.599	S	S	*	*	H	α-helix	trans	-63.6	-49.2	176.3	-152.4	78.5	0	0	0	111	C23 L24 T25 L29 S30 L31	C23-W27 VanDerWaalsContact O-CB 3.3Å; C23-W27 WeakPolarHBondContact O-CB 3.33Å; C23-W27 PolarHBondContact O-N 3.04Å; L24-W27 PolarHBondContact O-N 3.35Å; T25-W27 VanDerWaalsContact C-N 3.35Å; W27-L29 VanDerWaalsContact C-N 3.35Å; W27-L29 PolarHBondContact O-N 3.32Å; W27-S30 PolarHBondContact O-N 3.17Å; W27-S30 PolarHBondContact O-OG 3.08Å; W27-L31 HydrophobicContact CH2-CD1 4.48Å; W27-L31 HydrophobicContact CZ3-CD1 4.42Å; W27-L31 HydrophobicContact CZ3-CD2 4.25Å; W27-L31 WeakPolarHBondContact O-CB 3.14Å; W27-L31 PolarHBondContact O-N 3.32Å
28	F	70.6	Confident	57.1	Low	130 Å²	130	111 Å²	111	57%	0.57	60%	0.603	S	S	*	*	H	α-helix	trans	-61	-38.4	174	-79.8	-65.3	0	0	0	113	L24 T25 L31 A32	L24-F28 HydrophobicContact CD2-CE2 4.35Å; L24-F28 WeakPolarHBondContact O-CD2 3.41Å; L24-F28 PolarHBondContact O-N 3.15Å; T25-F28 PolarHBondContact O-N 3.46Å; F28-L31 PolarHBondContact O-N 3.42Å; F28-A32 WeakPolarHBondContact O-CB 3.47Å; F28-A32 PolarHBondContact O-N 2.96Å
29	L	64.2	Low	57.4	Low	115 Å²	115	108.8 Å²	108.8	60%	0.602	60%	0.597	S	S	*	*	H	α-helix	trans	-64.4	-41.8	174.9	-131.6	75.5	0	0	0	111.5	T25 L26 W27 L31 A32 L33	T25-L29 WeakPolarHBondContact O-CB 3.44Å; T25-L29 PolarHBondContact O-N 3.29Å; L26-L29 PolarHBondContact O-N 3.37Å; W27-L29 VanDerWaalsContact C-N 3.35Å; W27-L29 PolarHBondContact O-N 3.32Å; L29-L31 VanDerWaalsContact C-N 3.32Å; L29-L31 PolarHBondContact O-N 2.96Å; L29-A32 PolarHBondContact O-N 3.34Å; L29-L33 PolarHBondContact O-N 2.78Å
30	S	60.4	Low	58.4	Low	51 Å²	51	112.3 Å²	112.3	36%	0.357	61%	0.611	S	S	.	*	H	α-helix	trans	-66.9	-33.2	175.8	76.4	0	0	0	0	112.9	L26 W27 R34	L26-S30 WeakPolarHBondContact O-CB 3.39Å; L26-S30 PolarHBondContact O-N 3.17Å; W27-S30 PolarHBondContact O-N 3.17Å; W27-S30 PolarHBondContact O-OG 3.08Å; S30-R34 WeakPolarHBondContact O-CB 3.1Å; S30-R34 VanDerWaalsContact O-CG 3.27Å; S30-R34 WeakPolarHBondContact O-CG 3.22Å; S30-R34 PolarHBondContact O-N 3.22Å
31	L	57.9	Low	59.8	Low	83 Å²	83	104.8 Å²	104.8	44%	0.435	59%	0.593	S	S	.	*	H	α-helix	trans	-70.8	-41.2	176	-149.2	76.1	0	0	0	110.8	W27 F28 L29 R34 A35	W27-L31 HydrophobicContact CH2-CD1 4.48Å; W27-L31 HydrophobicContact CZ3-CD1 4.42Å; W27-L31 HydrophobicContact CZ3-CD2 4.25Å; W27-L31 WeakPolarHBondContact O-CB 3.14Å; W27-L31 PolarHBondContact O-N 3.32Å; F28-L31 PolarHBondContact O-N 3.42Å; L29-L31 VanDerWaalsContact C-N 3.32Å; L29-L31 PolarHBondContact O-N 2.96Å; L31-R34 PolarHBondContact O-N 3.31Å; L31-A35 WeakPolarHBondContact O-CB 3.25Å; L31-A35 PolarHBondContact O-N 3.24Å
32	A	52.9	Low	61.6	Low	57 Å²	57	101.8 Å²	101.8	47%	0.471	57%	0.571	S	S	.	*	H	α-helix	trans	-66.2	-42.2	174.9	0	0	0	0	0	112.4	F28 L29 A35 S36	F28-A32 WeakPolarHBondContact O-CB 3.47Å; F28-A32 PolarHBondContact O-N 2.96Å; L29-A32 PolarHBondContact O-N 3.34Å; A32-A35 PolarHBondContact O-N 2.86Å; A32-S36 WeakPolarHBondContact O-CB 3.46Å; A32-S36 PolarHBondContact O-N 3.26Å
33	L	51.3	Low	63.3	Low	119 Å²	119	99.7 Å²	99.7	62%	0.623	56%	0.563	S	S	*	*	H	α-helix	trans	-62.1	-43.9	173.6	-108.2	67.6	0	0	0	111.6	L29 A35 S36 T37	L29-L33 PolarHBondContact O-N 2.78Å; L33-A35 VanDerWaalsContact C-N 3.33Å; L33-A35 PolarHBondContact O-N 3.32Å; L33-S36 PolarHBondContact O-N 2.92Å; L33-S36 VanDerWaalsContact O-N 3.09Å; L33-T37 PolarHBondContact O-N 3.47Å; L33-T37 PolarHBondContact O-OG1 3.47Å
34	R	49.4	Very low	65	Low	195 Å²	195	96.4 Å²	96.4	74%	0.736	54%	0.54	S	S	*	.	H	α-helix	trans	-63.3	-37	176.2	-76.5	174.4	174.8	-160.1	-3.2	112.9	S30 L31 S36 T37	S30-R34 WeakPolarHBondContact O-CB 3.1Å; S30-R34 VanDerWaalsContact O-CG 3.27Å; S30-R34 WeakPolarHBondContact O-CG 3.22Å; S30-R34 PolarHBondContact O-N 3.22Å; L31-R34 PolarHBondContact O-N 3.31Å; R34-S36 VanDerWaalsContact C-N 3.27Å; R34-S36 PolarHBondContact O-N 3.47Å; R34-T37 PolarHBondContact O-OG1 3.03Å
35	A	44.8	Very low	66.3	Low	81 Å²	81	95.7 Å²	95.7	67%	0.669	54%	0.537	S	S	*	.	H	α-helix	trans	-69.6	-22.9	173.8	0	0	0	0	0	113.3	L31 A32 L33	L31-A35 WeakPolarHBondContact O-CB 3.25Å; L31-A35 PolarHBondContact O-N 3.24Å; A32-A35 PolarHBondContact O-N 2.86Å; L33-A35 VanDerWaalsContact C-N 3.33Å; L33-A35 PolarHBondContact O-N 3.32Å
36	S	44.3	Very low	67.6	Low	103 Å²	103	92.1 Å²	92.1	72%	0.72	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-9.1	-177.2	-169	0	0	0	0	114.6	A32 L33 R34	A32-S36 WeakPolarHBondContact O-CB 3.46Å; A32-S36 PolarHBondContact O-N 3.26Å; L33-S36 PolarHBondContact O-N 2.92Å; L33-S36 VanDerWaalsContact O-N 3.09Å; R34-S36 VanDerWaalsContact C-N 3.27Å; R34-S36 PolarHBondContact O-N 3.47Å
37	T	44.2	Very low	68.9	Low	115 Å²	115	92.7 Å²	92.7	71%	0.706	52%	0.515	S	S	*	.	S	Bend	trans	-106.2	-4.1	-172.3	49.3	0	0	0	0	115.1	L33 R34 A39	L33-T37 PolarHBondContact O-N 3.47Å; L33-T37 PolarHBondContact O-OG1 3.47Å; R34-T37 PolarHBondContact O-OG1 3.03Å; T37-A39 PolarHBondContact O-N 3.43Å
38	Q	48.5	Very low	70.2	Confident	177 Å²	177	86.1 Å²	86.1	83%	0.827	49%	0.49	S	S	*	.			trans	-83.3	105.8	178.2	-163	164.8	21.7	0	0	109.8
39	A	58.9	Low	71.4	Confident	73 Å²	73	80.4 Å²	80.4	60%	0.603	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-54.8	141.9	175.3	0	0	0	0	0	110.6	T37 A41	T37-A39 PolarHBondContact O-N 3.43Å; A39-A41 PolarHBondContact O-N 3.09Å
40	P	69.8	Low	73	Confident	123 Å²	123	79.6 Å²	79.6	80%	0.799	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-60.7	125	-176.2	24.7	-33.8	0	0	0	110.4
41	A	83.1	Confident	74.8	Confident	47 Å²	47	77.1 Å²	77.1	39%	0.388	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-57.4	128.8	-176.2	0	0	0	0	0	111	A39 T43 R52	A39-A41 PolarHBondContact O-N 3.09Å; A41-T43 PolarHBondContact O-N 3.45Å; A41-T43 PolarHBondContact O-OG1 2.96Å; A41-R52 HydrophobicContact CB-CG 3.76Å
42	P	93.5	Very high	76.7	Confident	15 Å²	15	77.5 Å²	77.5	10%	0.097	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-62	129.5	-168.9	29.5	-38.5	0	0	0	109.8	R52 G53 D67 Y69	P42-R52 CarbonylContact O-C 3.56Å; P42-R52 WeakPolarHBondContact O-CA 3.41Å; P42-G53 PolarHBondContact O-N 3.47Å; P42-D67 HydrophobicContact CB-CB 4.17Å; P42-D67 WeakPolarHBondContact CB-OD2 3.37Å; P42-D67 HydrophobicContact CG-CB 4.05Å; P42-D67 WeakPolarHBondContact CG-OD1 3.29Å; P42-Y69 WeakPolarHBondContact CB-OH 3.46Å
43	T	95.6	Very high	78.8	Confident	73 Å²	73	74.8 Å²	74.8	45%	0.448	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	120.5	-169.6	-60	0	0	0	0	109.9	A41 L51 I96	A41-T43 PolarHBondContact O-N 3.45Å; A41-T43 PolarHBondContact O-OG1 2.96Å; T43-L51 CarbonylContact C-O 3.54Å; T43-L51 VanDerWaalsContact CA-O 3.25Å; T43-L51 WeakPolarHBondContact CA-O 3.44Å; T43-L51 WeakPolarHBondContact CG2-O 3.27Å; T43-I96 HydrophobicContact CG2-CG2 4.48Å
44	V	96.3	Very high	81	Confident	19 Å²	19	70.7 Å²	70.7	12%	0.115	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	153.2	-177.3	162.7	0	0	0	0	109.9	T46 K50 L51 Y69 F234 F235	V44-T46 HydrophobicContact CG1-CG2 4.47Å; V44-K50 CarbonylContact O-C 3.54Å; V44-K50 WeakPolarHBondContact O-CA 3.47Å; V44-L51 PolarHBondContact N-O 2.89Å; V44-L51 PolarHBondContact O-N 2.9Å; V44-Y69 HydrophobicContact CB-CE1 4.13Å; V44-Y69 HydrophobicContact CG2-CE1 4.13Å; V44-Y69 VanDerWaalsContact CG2-OH 3.24Å; V44-Y69 WeakPolarHBondContact CG2-OH 3.46Å; V44-F234 HydrophobicContact CG1-CB 3.77Å; V44-F234 WeakPolarHBondContact CG1-O 3.42Å; V44-F235 HydrophobicContact CB-CD1 4.38Å; V44-F235 HydrophobicContact CB-CE1 4.18Å; V44-F235 HydrophobicContact CG1-CD1 4.07Å; V44-F235 HydrophobicContact CG1-CD2 4.08Å; V44-F235 HydrophobicContact CG1-CE1 3.89Å; V44-F235 HydrophobicContact CG1-CE2 3.91Å; V44-F235 HydrophobicContact CG1-CG 4.17Å; V44-F235 HydrophobicContact CG1-CZ 3.82Å; V44-F235 HydrophobicContact CG2-CD1 4.13Å; V44-F235 HydrophobicContact CG2-CE1 4.39Å
45	N	96.5	Very high	83.2	Confident	82 Å²	82	67.9 Å²	67.9	44%	0.439	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	108.7	178	-175.6	104.8	0	0	0	109.7	K50 F234	N45-K50 HydrophobicContact CB-CG 4.13Å; N45-K50 WeakPolarHBondContact OD1-CE 3.41Å; N45-K50 WeakPolarHBondContact OD1-CG 3.3Å; N45-F234 WeakPolarHBondContact O-CB 3.48Å; N45-F234 WeakPolarHBondContact O-CD1 3.44Å; N45-F234 WeakPolarHBondContact O-CD2 3.43Å; N45-F234 WeakPolarHBondContact O-CG 3.19Å
46	T	97.1	Very high	85.6	Confident	4 Å²	4	66.1 Å²	66.1	3%	0.025	37%	0.37	C	S	.	.			trans	-87.1	178.7	175.4	71.4	0	0	0	0	111.1	V44 F48 G49 L51 W227 N231 F235	V44-T46 HydrophobicContact CG1-CG2 4.47Å; T46-F48 PolarHBondContact O-N 3.2Å; T46-F48 PolarHBondContact OG1-N 2.87Å; T46-G49 PolarHBondContact N-O 3.04Å; T46-G49 PolarHBondContact OG1-N 2.75Å; T46-G49 PolarHBondContact OG1-O 3.45Å; T46-G49 VanDerWaalsContact OG1-O 3.06Å; T46-L51 HydrophobicContact CG2-CD1 3.59Å; T46-L51 HydrophobicContact CG2-CG 4.31Å; T46-W227 HydrophobicContact CG2-CZ2 4.07Å; T46-N231 WeakPolarHBondContact CB-OD1 3.47Å; T46-F235 HydrophobicContact CG2-CE2 4.02Å; T46-F235 HydrophobicContact CG2-CZ 4.11Å
47	H	96.9	Very high	88	Confident	120 Å²	120	66.1 Å²	66.1	56%	0.556	37%	0.367	S	S	*	.	S	Bend	trans	-61.9	-24.4	169.6	-75.6	-66	0	0	0	113.2	N231 F234	H47-N231 PolarHBondContact CD2-OD1 2.94Å; H47-N231 PolarHBondContact N-OD1 2.9Å; H47-F234 AromaticContact CD2-CE2 3.61Å; H47-F234 AromaticContact CE1-CZ 3.92Å; H47-F234 AromaticContact NE2-CE2 3.62Å; H47-F234 AromaticContact NE2-CZ 3.7Å
48	F	97.3	Very high	90.3	Very high	26 Å²	26	61.6 Å²	61.6	11%	0.114	34%	0.339	C	S	.	.	S	Bend	trans	-95.9	-24.1	-175.7	-57.2	-78.2	0	0	0	113.6	T46 P89 P90 S92 W93 W227	T46-F48 PolarHBondContact O-N 3.2Å; T46-F48 PolarHBondContact OG1-N 2.87Å; F48-P89 HydrophobicContact CE1-CB 4.39Å; F48-P90 HydrophobicContact CD1-CG 3.79Å; F48-P90 WeakPolarHBondContact CD1-O 3.34Å; F48-P90 HydrophobicContact CD2-CG 3.95Å; F48-P90 HydrophobicContact CE1-CG 3.79Å; F48-P90 WeakPolarHBondContact CE1-O 3.19Å; F48-P90 HydrophobicContact CE2-CG 3.94Å; F48-P90 HydrophobicContact CG-CG 3.87Å; F48-P90 HydrophobicContact CZ-CG 3.87Å; F48-S92 CarbonylContact O-C 3.49Å; F48-S92 WeakPolarHBondContact O-CA 3.25Å; F48-S92 VanDerWaalsContact O-CB 3.29Å; F48-S92 WeakPolarHBondContact O-CB 3.36Å; F48-W93 HydrophobicContact CB-CE3 4.15Å; F48-W93 HydrophobicContact CB-CH2 3.79Å; F48-W93 HydrophobicContact CB-CZ3 3.55Å; F48-W93 PolarHBondContact O-N 3.26Å; F48-W227 AromaticContact CD2-CD1 4Å; F48-W227 AromaticContact CD2-NE1 3.67Å; F48-W227 AromaticContact CE2-CD1 3.58Å; F48-W227 AromaticContact CE2-NE1 3.75Å
49	G	96.8	Very high	92.1	Very high	11 Å²	11	58 Å²	58	11%	0.113	33%	0.331	C	S	.	.			trans	160.1	-169.8	175.4	0	0	0	0	0	113.4	T46	T46-G49 PolarHBondContact N-O 3.04Å; T46-G49 PolarHBondContact OG1-N 2.75Å; T46-G49 PolarHBondContact OG1-O 3.45Å; T46-G49 VanDerWaalsContact OG1-O 3.06Å
50	K	98.1	Very high	93.1	Very high	97 Å²	97	56.1 Å²	56.1	42%	0.422	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	136.5	178.5	-64.8	177.5	-178.8	-179	0	111.4	V44 N45 W93 I96 R97	V44-K50 CarbonylContact O-C 3.54Å; V44-K50 WeakPolarHBondContact O-CA 3.47Å; N45-K50 HydrophobicContact CB-CG 4.13Å; N45-K50 WeakPolarHBondContact OD1-CE 3.41Å; N45-K50 WeakPolarHBondContact OD1-CG 3.3Å; K50-W93 PolarHBondContact O-NE1 2.72Å; K50-I96 HydrophobicContact CB-CB 4.33Å; K50-I96 HydrophobicContact CB-CG1 3.95Å; K50-I96 HydrophobicContact CB-CG2 4.29Å; K50-I96 HydrophobicContact CD-CG1 4.35Å; K50-R97 PolarHBondContact O-N 3.16Å
51	L	97.9	Very high	93.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	140	175.4	-64.8	169	0	0	0	109.3	T43 V44 T46 Y69 V72 W93 R97 A99 F235	T43-L51 CarbonylContact C-O 3.54Å; T43-L51 VanDerWaalsContact CA-O 3.25Å; T43-L51 WeakPolarHBondContact CA-O 3.44Å; T43-L51 WeakPolarHBondContact CG2-O 3.27Å; V44-L51 PolarHBondContact N-O 2.89Å; V44-L51 PolarHBondContact O-N 2.9Å; T46-L51 HydrophobicContact CG2-CD1 3.59Å; T46-L51 HydrophobicContact CG2-CG 4.31Å; L51-Y69 HydrophobicContact CB-CD1 4.22Å; L51-V72 HydrophobicContact CD1-CB 4.45Å; L51-V72 HydrophobicContact CD1-CG1 3.61Å; L51-V72 HydrophobicContact CD1-CG2 3.94Å; L51-V72 HydrophobicContact CD2-CG1 4.3Å; L51-V72 HydrophobicContact CD2-CG2 4.46Å; L51-W93 HydrophobicContact CD2-CH2 4.1Å; L51-W93 HydrophobicContact CD2-CZ2 3.51Å; L51-W93 HydrophobicContact CG-CZ2 3.92Å; L51-R97 CarbonylContact C-O 3.44Å; L51-R97 WeakPolarHBondContact CA-O 3.32Å; L51-R97 HydrophobicContact CD2-CB 4.31Å; L51-A99 HydrophobicContact CD2-CB 4.2Å; L51-F235 HydrophobicContact CD1-CE1 4.5Å; L51-F235 HydrophobicContact CD1-CZ 3.84Å
52	R	97.9	Very high	93.5	Very high	90 Å²	90	62.4 Å²	62.4	34%	0.34	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.4	167.1	176.6	-174.1	-66.5	132.2	-6.3	109.6	A41 P42 I96 R97 N98 A99 T100	A41-R52 HydrophobicContact CB-CG 3.76Å; P42-R52 CarbonylContact O-C 3.56Å; P42-R52 WeakPolarHBondContact O-CA 3.41Å; R52-I96 HydrophobicContact CB-CG2 3.8Å; R52-R97 PolarHBondContact N-O 2.92Å; R52-N98 PolarHBondContact NH1-OD1 2.88Å; R52-A99 PolarHBondContact O-N 2.87Å; R52-T100 WeakPolarHBondContact O-CG2 3.49Å
53	G	97.4	Very high	93.4	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.01	33%	0.325	C	S	.	.			trans	-89.2	-167.6	171.3	0	0	0	0	0	112.8	P42 Q68	P42-G53 PolarHBondContact O-N 3.47Å; G53-Q68 CarbonylContact C-O 3.31Å; G53-Q68 WeakPolarHBondContact CA-O 3.26Å
54	A	96.9	Very high	93.2	Very high	32 Å²	32	59.2 Å²	59.2	26%	0.264	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	138	174.6	0	0	0	0	0	110.5	Q68 T100	A54-Q68 PolarHBondContact N-O 2.91Å; A54-Q68 PolarHBondContact O-N 3.25Å; A54-T100 HydrophobicContact CB-CG2 4.05Å
55	R	95.7	Very high	93.1	Very high	136 Å²	136	60.5 Å²	60.5	51%	0.513	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	117.9	172	-173	162.1	-69	-159.9	-4.8	109.5	P65 D67	R55-P65 HydrophobicContact CG-CB 4.19Å; R55-D67 WeakPolarHBondContact CA-OD1 3.26Å; R55-D67 WeakPolarHBondContact CB-OD1 3.29Å; R55-D67 VanDerWaalsContact CG-OD1 3.32Å; R55-D67 WeakPolarHBondContact CG-OD1 3.37Å; R55-D67 IonicContact CZ-OD1 3.86Å; R55-D67 IonicContact CZ-OD2 2.67Å; R55-D67 IonicContact NE-OD1 2.72Å; R55-D67 PolarHBondContact NE-OD1 2.85Å; R55-D67 IonicContact NE-OD2 3.96Å; R55-D67 IonicContact NH2-OD1 3.59Å; R55-D67 PolarHBondContact NH2-OD1 3.02Å; R55-D67 IonicContact NH2-OD2 3.79Å; R55-D67 PolarHBondContact NH2-OD2 2.83Å
56	V	94.8	Very high	93.1	Very high	44 Å²	44	56.6 Å²	56.6	27%	0.267	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.1	-175.8	-179.3	0	0	0	0	109.8	P65 V66 Q68	V56-P65 WeakPolarHBondContact O-CA 3.47Å; V56-P65 WeakPolarHBondContact O-CB 3.27Å; V56-V66 PolarHBondContact N-O 2.97Å; V56-V66 PolarHBondContact O-N 2.75Å; V56-Q68 HydrophobicContact CB-CG 4.47Å; V56-Q68 HydrophobicContact CG2-CG 4.09Å
57	P	93.8	Very high	93.2	Very high	103 Å²	103	57.1 Å²	57.1	67%	0.669	30%	0.297	S	S	*	.			trans	-76.3	139.4	170	32.4	-32.8	0	0	0	110.5
58	L	92.6	Very high	93.2	Very high	21 Å²	21	52.6 Å²	52.6	11%	0.11	28%	0.276	C	S	.	.			trans	-84.6	150.4	174.5	-68.4	177.2	0	0	0	110.9	S60 L63 V66	L58-S60 PolarHBondContact O-N 3.06Å; L58-L63 HydrophobicContact CB-CB 4.34Å; L58-L63 HydrophobicContact CD1-CB 3.81Å; L58-L63 HydrophobicContact CD1-CD1 4.15Å; L58-V66 HydrophobicContact CD1-CG2 4.25Å
59	P	86.4	Confident	93.3	Very high	101 Å²	101	51.8 Å²	51.8	66%	0.656	27%	0.272	S	S	*	.	S	Bend	trans	-79.6	54.7	177.6	33.8	-34.7	0	0	0	111.4	V496	P59-V496 HydrophobicContact CG-CB 4.03Å; P59-V496 HydrophobicContact CG-CG1 3.66Å
60	S	80.4	Confident	93.4	Very high	33 Å²	33	51.9 Å²	51.9	23%	0.231	27%	0.27	C	S	.	.			trans	-150.5	134	178.9	174	0	0	0	0	110	L58 I62	L58-S60 PolarHBondContact O-N 3.06Å; S60-I62 PolarHBondContact O-N 2.95Å; S60-I62 PolarHBondContact OG-N 2.81Å
61	E	78.1	Confident	93.3	Very high	207 Å²	207	47.6 Å²	47.6	97%	0.967	25%	0.253	S	S	*	.	S	Bend	trans	-73	-6.6	176.9	-60.4	-176.8	162	0	0	113.3
62	I	83.9	Confident	93.4	Very high	96 Å²	96	47.6 Å²	47.6	49%	0.492	25%	0.253	S	S	.	.	S	Bend	trans	-109.5	-19.7	-173.9	-55.6	172.6	0	0	0	112.1	S60 F540 I541	S60-I62 PolarHBondContact O-N 2.95Å; S60-I62 PolarHBondContact OG-N 2.81Å; I62-F540 HydrophobicContact CD1-CB 4.29Å; I62-I541 HydrophobicContact CB-CD1 4.11Å; I62-I541 HydrophobicContact CD1-CB 4.49Å; I62-I541 HydrophobicContact CD1-CD1 4.28Å; I62-I541 HydrophobicContact CG2-CB 4.19Å; I62-I541 HydrophobicContact CG2-CD1 4.04Å
63	L	90.8	Very high	93.4	Very high	16 Å²	16	43.6 Å²	43.6	8%	0.084	24%	0.239	C	C	.	.	S	Bend	trans	-103.8	122.6	-175.1	-62.2	176.7	0	0	0	111.1	L58 I183 Y187 M495 I541	L58-L63 HydrophobicContact CB-CB 4.34Å; L58-L63 HydrophobicContact CD1-CB 3.81Å; L58-L63 HydrophobicContact CD1-CD1 4.15Å; L63-I183 HydrophobicContact CD1-CG2 3.92Å; L63-Y187 HydrophobicContact CD2-CD2 4.28Å; L63-M495 HydrophobicContact CD1-SD 4.33Å; L63-I541 HydrophobicContact CD2-CD1 4.21Å; L63-I541 HydrophobicContact CG-CD1 4.31Å
64	G	91.6	Very high	93.5	Very high	4 Å²	4	43.6 Å²	43.6	4%	0.041	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-61.8	155	175.7	0	0	0	0	0	113.3	E151 S186	G64-E151 WeakPolarHBondContact CA-OE1 3.46Å; G64-S186 PolarHBondContact N-OG 2.97Å; G64-S186 PolarHBondContact O-OG 2.84Å
65	P	94.6	Very high	93.5	Very high	46 Å²	46	42.2 Å²	42.2	30%	0.299	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-66.5	162	178.9	24.2	-27.8	0	0	0	112.4	R55 V56 T150	R55-P65 HydrophobicContact CG-CB 4.19Å; V56-P65 WeakPolarHBondContact O-CA 3.47Å; V56-P65 WeakPolarHBondContact O-CB 3.27Å; P65-T150 WeakPolarHBondContact CG-OG1 3.3Å; P65-T150 WeakPolarHBondContact O-CB 3.49Å; P65-T150 VanDerWaalsContact O-CG2 3.25Å; P65-T150 WeakPolarHBondContact O-CG2 3.33Å; P65-T150 PolarHBondContact O-N 2.98Å; P65-T150 PolarHBondContact O-OG1 2.8Å
66	V	96.8	Very high	93.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	136	-176.6	176.2	0	0	0	0	109.7	V56 L58 Q68 V148 S182	V56-V66 PolarHBondContact N-O 2.97Å; V56-V66 PolarHBondContact O-N 2.75Å; L58-V66 HydrophobicContact CD1-CG2 4.25Å; V66-Q68 HydrophobicContact CG1-CG 4.18Å; V66-V148 CarbonylContact C-O 3.53Å; V66-V148 WeakPolarHBondContact CA-O 3.27Å; V66-V148 WeakPolarHBondContact CG1-O 3.36Å; V66-S182 WeakPolarHBondContact CG2-O 3.38Å
67	D	97.7	Very high	93.8	Very high	16 Å²	16	35.8 Å²	35.8	9%	0.086	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	109.6	167.4	-75.2	-21.2	0	0	0	109	P42 R55 Y69 V148 T150	P42-D67 HydrophobicContact CB-CB 4.17Å; P42-D67 WeakPolarHBondContact CB-OD2 3.37Å; P42-D67 HydrophobicContact CG-CB 4.05Å; P42-D67 WeakPolarHBondContact CG-OD1 3.29Å; R55-D67 WeakPolarHBondContact CA-OD1 3.26Å; R55-D67 WeakPolarHBondContact CB-OD1 3.29Å; R55-D67 VanDerWaalsContact CG-OD1 3.32Å; R55-D67 WeakPolarHBondContact CG-OD1 3.37Å; R55-D67 IonicContact CZ-OD1 3.86Å; R55-D67 IonicContact CZ-OD2 2.67Å; R55-D67 IonicContact NE-OD1 2.72Å; R55-D67 PolarHBondContact NE-OD1 2.85Å; R55-D67 IonicContact NE-OD2 3.96Å; R55-D67 IonicContact NH2-OD1 3.59Å; R55-D67 PolarHBondContact NH2-OD1 3.02Å; R55-D67 IonicContact NH2-OD2 3.79Å; R55-D67 PolarHBondContact NH2-OD2 2.83Å; D67-Y69 HydrophobicContact CB-CE2 4.05Å; D67-V148 HydrophobicContact CB-CB 4.32Å; D67-V148 PolarHBondContact N-O 2.82Å; D67-V148 PolarHBondContact O-N 2.88Å; D67-T150 HydrophobicContact CB-CG2 4.33Å
68	Q	98.4	Very high	94	Very high	25 Å²	25	31.2 Å²	31.2	12%	0.117	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133.7	179.7	-64.8	-176	-11.1	0	0	111	G53 A54 V56 V66 L70 V146 Y147 S182	G53-Q68 CarbonylContact C-O 3.31Å; G53-Q68 WeakPolarHBondContact CA-O 3.26Å; A54-Q68 PolarHBondContact N-O 2.91Å; A54-Q68 PolarHBondContact O-N 3.25Å; V56-Q68 HydrophobicContact CB-CG 4.47Å; V56-Q68 HydrophobicContact CG2-CG 4.09Å; V66-Q68 HydrophobicContact CG1-CG 4.18Å; Q68-L70 HydrophobicContact CB-CD2 4.16Å; Q68-L70 HydrophobicContact CB-CG 4.3Å; Q68-V146 CarbonylContact C-O 3.57Å; Q68-V146 WeakPolarHBondContact CA-O 3.48Å; Q68-Y147 HydrophobicContact CG-CD1 3.9Å; Q68-Y147 HydrophobicContact CG-CE1 4.17Å; Q68-S182 PolarHBondContact NE2-OG 3.15Å
69	Y	98.6	Very high	94.2	Very high	9 Å²	9	34.4 Å²	34.4	4%	0.035	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	92	170.9	-58.8	-99	0	0	0	108.4	P42 V44 L51 D67 A99 N145 V146 V148 F235	P42-Y69 WeakPolarHBondContact CB-OH 3.46Å; V44-Y69 HydrophobicContact CB-CE1 4.13Å; V44-Y69 HydrophobicContact CG2-CE1 4.13Å; V44-Y69 VanDerWaalsContact CG2-OH 3.24Å; V44-Y69 WeakPolarHBondContact CG2-OH 3.46Å; L51-Y69 HydrophobicContact CB-CD1 4.22Å; D67-Y69 HydrophobicContact CB-CE2 4.05Å; Y69-A99 CarbonylContact C-O 3.56Å; Y69-A99 VanDerWaalsContact CA-O 3.3Å; Y69-A99 WeakPolarHBondContact CA-O 3.49Å; Y69-N145 CarbonylContact O-C 3.51Å; Y69-N145 WeakPolarHBondContact O-CA 3.37Å; Y69-V146 PolarHBondContact N-O 2.93Å; Y69-V146 PolarHBondContact O-N 2.83Å; Y69-V148 HydrophobicContact CD2-CG2 4.32Å; Y69-V148 HydrophobicContact CE2-CG2 4.12Å; Y69-F235 AromaticContact CD1-CE1 3.94Å; Y69-F235 HydrophobicContact CD1-CE1 3.94Å; Y69-F235 AromaticContact CD2-CD1 3.85Å; Y69-F235 HydrophobicContact CD2-CD1 3.85Å; Y69-F235 AromaticContact CD2-CE1 3.73Å; Y69-F235 HydrophobicContact CD2-CE1 3.73Å; Y69-F235 HydrophobicContact CE1-CE1 4.19Å; Y69-F235 AromaticContact CE2-CD1 3.83Å; Y69-F235 HydrophobicContact CE2-CD1 3.83Å; Y69-F235 HydrophobicContact CE2-CE1 4.01Å; Y69-F235 HydrophobicContact CG-CD1 4.31Å; Y69-F235 AromaticContact CG-CE1 3.71Å; Y69-F235 HydrophobicContact CG-CE1 3.71Å
70	L	98.4	Very high	94.7	Very high	12 Å²	12	31.4 Å²	31.4	6%	0.063	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	139.2	-174.8	-49.1	-177.7	0	0	0	110.5	Q68 A99 H101 F102 N145 Y147	Q68-L70 HydrophobicContact CB-CD2 4.16Å; Q68-L70 HydrophobicContact CB-CG 4.3Å; L70-A99 PolarHBondContact N-O 3.43Å; L70-A99 CarbonylContact O-C 3.45Å; L70-A99 WeakPolarHBondContact O-CA 3.18Å; L70-A99 VanDerWaalsContact O-CB 3.31Å; L70-A99 WeakPolarHBondContact O-CB 3.44Å; L70-H101 CarbonylContact C-O 3.52Å; L70-H101 WeakPolarHBondContact CB-O 3.44Å; L70-F102 HydrophobicContact CB-CD1 4.24Å; L70-F102 HydrophobicContact CB-CE1 4.48Å; L70-F102 HydrophobicContact CD1-CD1 4.28Å; L70-F102 HydrophobicContact CD1-CE1 4.07Å; L70-F102 HydrophobicContact CD1-CE2 4.33Å; L70-F102 HydrophobicContact CD1-CZ 4.1Å; L70-F102 HydrophobicContact CD2-CD1 4.47Å; L70-F102 HydrophobicContact CD2-CE1 3.87Å; L70-F102 HydrophobicContact CD2-CZ 4.34Å; L70-F102 HydrophobicContact CG-CE1 4.36Å; L70-N145 WeakPolarHBondContact CA-OD1 3.41Å; L70-N145 HydrophobicContact CD2-CB 3.89Å; L70-Y147 HydrophobicContact CD2-CE1 4.21Å
71	G	97.6	Very high	95.4	Very high	7 Å²	7	36.7 Å²	36.7	7%	0.072	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.2	41.9	178.3	0	0	0	0	0	115	Y143 L144 N145	G71-Y143 WeakPolarHBondContact O-CD1 3.36Å; G71-L144 PolarHBondContact N-O 2.73Å; G71-N145 PolarHBondContact N-OD1 2.97Å
72	V	98.6	Very high	96.3	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	120.3	174.6	-176.3	0	0	0	0	109.9	L51 Y74 A99 Y143 L144 W227	L51-V72 HydrophobicContact CD1-CB 4.45Å; L51-V72 HydrophobicContact CD1-CG1 3.61Å; L51-V72 HydrophobicContact CD1-CG2 3.94Å; L51-V72 HydrophobicContact CD2-CG1 4.3Å; L51-V72 HydrophobicContact CD2-CG2 4.46Å; V72-Y74 PolarHBondContact O-N 2.79Å; V72-A99 HydrophobicContact CG2-CB 4Å; V72-Y143 WeakPolarHBondContact O-CA 3.29Å; V72-L144 HydrophobicContact CB-CD1 4.01Å; V72-L144 WeakPolarHBondContact CB-O 3.36Å; V72-L144 HydrophobicContact CG1-CD1 4.42Å; V72-L144 PolarHBondContact N-O 3.21Å; V72-L144 PolarHBondContact O-N 2.85Å; V72-W227 HydrophobicContact CG1-CH2 3.73Å; V72-W227 HydrophobicContact CG1-CZ2 3.39Å
73	P	98.4	Very high	97	Very high	7 Å²	7	26 Å²	26	5%	0.045	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	126.9	178.7	27.5	-33.4	0	0	0	110.7	P90 W93 Y143 W227	P73-P90 HydrophobicContact CB-CB 4.31Å; P73-W93 HydrophobicContact CG-CH2 4.13Å; P73-W93 HydrophobicContact CG-CZ3 3.8Å; P73-Y143 HydrophobicContact CB-CD1 4Å; P73-Y143 HydrophobicContact CB-CE1 3.66Å; P73-Y143 HydrophobicContact CG-CE1 4.3Å; P73-W227 PolarHBondContact O-NE1 3.11Å
74	Y	98.6	Very high	97.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.143	C	C	.	.			trans	-107.4	-8.3	175.9	70.9	-104	0	0	0	113.6	V72 P90 L142 L144 N196 D220 Q223 A224	V72-Y74 PolarHBondContact O-N 2.79Å; Y74-P90 WeakPolarHBondContact O-CD 3.39Å; Y74-L142 WeakPolarHBondContact CD1-O 3.15Å; Y74-L142 HydrophobicContact CE1-CB 4.27Å; Y74-L142 HydrophobicContact CE2-CB 4.2Å; Y74-L142 PolarHBondContact N-O 2.97Å; Y74-L144 HydrophobicContact CD1-CB 4.03Å; Y74-L144 HydrophobicContact CD1-CD2 3.88Å; Y74-L144 HydrophobicContact CD1-CG 3.99Å; Y74-L144 HydrophobicContact CG-CD2 4.07Å; Y74-N196 WeakPolarHBondContact CE1-O 3.48Å; Y74-N196 PolarHBondContact OH-O 2.79Å; Y74-D220 WeakPolarHBondContact CE2-O 3.29Å; Y74-Q223 HydrophobicContact CD2-CB 4.5Å; Y74-Q223 HydrophobicContact CD2-CG 4.19Å; Y74-Q223 HydrophobicContact CE2-CB 4.49Å; Y74-Q223 PolarHBondContact O-NE2 2.92Å; Y74-Q223 VanDerWaalsContact O-NE2 3.15Å; Y74-A224 HydrophobicContact CD1-CB 4.05Å; Y74-A224 HydrophobicContact CD2-CB 3.7Å; Y74-A224 HydrophobicContact CE1-CB 4.08Å; Y74-A224 HydrophobicContact CE2-CB 3.77Å; Y74-A224 HydrophobicContact CG-CB 3.86Å
75	A	98.7	Very high	97.7	Very high	4 Å²	4	28.7 Å²	28.7	3%	0.033	16%	0.16	C	C	.	.	S	Bend	trans	-146.8	169.3	177	0	0	0	0	0	110.9	P87 E88 L142 Q223	A75-P87 HydrophobicContact CB-CB 4Å; A75-E88 CarbonylContact C-O 3.6Å; A75-E88 WeakPolarHBondContact CA-O 3.36Å; A75-E88 VanDerWaalsContact CB-O 3.29Å; A75-E88 WeakPolarHBondContact CB-O 3.46Å; A75-L142 HydrophobicContact CB-CB 3.92Å; A75-L142 HydrophobicContact CB-CD1 3.65Å; A75-L142 HydrophobicContact CB-CG 4.45Å; A75-Q223 HydrophobicContact CB-CG 4.01Å
76	A	98.4	Very high	97.9	Very high	8 Å²	8	30.1 Å²	30.1	7%	0.066	17%	0.169	C	C	.	.			trans	-76.1	150.7	168.8	0	0	0	0	0	111.2	E88	A76-E88 HydrophobicContact CB-CB 4.21Å; A76-E88 PolarHBondContact N-O 2.85Å
77	P	98.2	Very high	98	Very high	37 Å²	37	31.1 Å²	31.1	24%	0.24	18%	0.175	C	C	.	.			trans	-57.8	126	179	-26.5	35.6	0	0	0	112.5	I79 D140	P77-I79 HydrophobicContact CB-CD1 4.24Å; P77-I79 HydrophobicContact CB-CG1 4.18Å; P77-I79 HydrophobicContact CB-CG2 4.2Å; P77-I79 PolarHBondContact O-N 3.19Å; P77-D140 HydrophobicContact CB-CB 4.03Å; P77-D140 HydrophobicContact CG-CB 4.35Å
78	P	97.8	Very high	98	Very high	6 Å²	6	34.9 Å²	34.9	4%	0.039	19%	0.192	C	C	.	.			trans	-81.8	45.6	-174.7	35.1	-38.4	0	0	0	112.7	K82 R83 E139 L142 R198	P78-K82 CarbonylContact O-C 3.39Å; P78-R83 WeakPolarHBondContact O-CA 3.4Å; P78-R83 PolarHBondContact O-N 3.06Å; P78-E139 VanDerWaalsContact CD-O 3.3Å; P78-E139 WeakPolarHBondContact CD-O 3.35Å; P78-E139 WeakPolarHBondContact CG-O 3.2Å; P78-L142 HydrophobicContact CB-CD1 4.23Å; P78-L142 HydrophobicContact CG-CD1 3.85Å; P78-L142 HydrophobicContact CG-CG 4Å; P78-R198 HydrophobicContact CG-CG 4.26Å
79	I	97.2	Very high	97.9	Very high	88 Å²	88	37.5 Å²	37.5	45%	0.451	21%	0.211	S	C	.	.			trans	-99.4	153.2	-170.5	63.2	177.2	0	0	0	113.1	P77 E81 K82 E139	P77-I79 HydrophobicContact CB-CD1 4.24Å; P77-I79 HydrophobicContact CB-CG1 4.18Å; P77-I79 HydrophobicContact CB-CG2 4.2Å; P77-I79 PolarHBondContact O-N 3.19Å; I79-E81 PolarHBondContact O-N 3.33Å; I79-K82 PolarHBondContact O-N 2.99Å; I79-K82 VanDerWaalsContact O-N 3.14Å; I79-E139 HydrophobicContact CG2-CB 3.66Å
80	G	95.4	Very high	97.8	Very high	38 Å²	38	37.3 Å²	37.3	39%	0.392	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	60.3	-125.7	179.4	0	0	0	0	0	111.4	K82 R83	G80-K82 PolarHBondContact O-N 3.27Å; G80-R83 VanDerWaalsContact O-CB 3.27Å; G80-R83 WeakPolarHBondContact O-CB 3.24Å; G80-R83 PolarHBondContact O-N 2.92Å
81	E	96.1	Very high	97.6	Very high	145 Å²	145	41.1 Å²	41.1	68%	0.678	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-54.4	-25.7	176.3	-49.9	-45.9	123.1	0	0	113.8	I79 R83 L85	I79-E81 PolarHBondContact O-N 3.33Å; E81-R83 VanDerWaalsContact C-N 3.28Å; E81-R83 PolarHBondContact O-N 3.3Å; E81-L85 WeakPolarHBondContact O-CD1 3.34Å
82	K	97.5	Very high	97.6	Very high	67 Å²	67	45 Å²	45	29%	0.291	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-80.2	-5.9	177.8	-57.3	-167.5	-174.6	-169	0	113.7	P78 I79 G80 L85 E88	P78-K82 CarbonylContact O-C 3.39Å; I79-K82 PolarHBondContact O-N 2.99Å; I79-K82 VanDerWaalsContact O-N 3.14Å; G80-K82 PolarHBondContact O-N 3.27Å; K82-L85 PolarHBondContact O-N 2.87Å; K82-E88 WeakPolarHBondContact CE-OE1 3.5Å; K82-E88 IonicContact NZ-OE1 3.69Å; K82-E88 PolarHBondContact NZ-OE1 2.91Å; K82-E88 IonicContact NZ-OE2 3.98Å; K82-E88 PolarHBondContact NZ-OE2 2.89Å
83	R	98.4	Very high	97.5	Very high	11 Å²	11	47.3 Å²	47.3	4%	0.042	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	136.8	170.7	-164.6	-166.2	-70.4	157.9	1	109.2	P78 G80 E81 L85 E139 L202 L312 R313 K315	P78-R83 WeakPolarHBondContact O-CA 3.4Å; P78-R83 PolarHBondContact O-N 3.06Å; G80-R83 VanDerWaalsContact O-CB 3.27Å; G80-R83 WeakPolarHBondContact O-CB 3.24Å; G80-R83 PolarHBondContact O-N 2.92Å; E81-R83 VanDerWaalsContact C-N 3.28Å; E81-R83 PolarHBondContact O-N 3.3Å; R83-L85 PolarHBondContact O-N 3.18Å; R83-E139 IonicContact CZ-OE1 2.8Å; R83-E139 IonicContact CZ-OE2 2.7Å; R83-E139 VanDerWaalsContact CZ-OE2 3.29Å; R83-E139 IonicContact NE-OE1 3.99Å; R83-E139 IonicContact NE-OE2 2.71Å; R83-E139 PolarHBondContact NE-OE2 2.9Å; R83-E139 VanDerWaalsContact NH2-CD 3.28Å; R83-E139 IonicContact NH2-OE1 3.67Å; R83-E139 PolarHBondContact NH2-OE1 3.27Å; R83-E139 IonicContact NH2-OE2 3.6Å; R83-E139 PolarHBondContact NH2-OE2 3.39Å; R83-L202 HydrophobicContact CG-CD2 3.95Å; R83-L312 PolarHBondContact NH1-O 3.22Å; R83-R313 HydrophobicContact CB-CG 4.49Å; R83-R313 PolarHBondContact NH1-O 3.3Å; R83-R313 PolarHBondContact O-NE 3.18Å; R83-K315 PolarHBondContact NH1-O 2.93Å; R83-K315 PolarHBondContact NH2-O 2.83Å
84	F	98.3	Very high	97.4	Very high	1 Å²	1	52.6 Å²	52.6	0%	0.004	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	31.3	-173.1	-40.3	-60.2	0	0	0	113.9	V201 L202 L205 Y216 V309 L312 R313 L320	F84-V201 HydrophobicContact CE1-CG1 4.2Å; F84-V201 WeakPolarHBondContact CE1-O 3.44Å; F84-V201 HydrophobicContact CZ-CG1 4.39Å; F84-L202 HydrophobicContact CE1-CD2 4.34Å; F84-L202 HydrophobicContact CZ-CD2 4.47Å; F84-L205 HydrophobicContact CD1-CB 4.03Å; F84-L205 HydrophobicContact CD1-CD2 4.25Å; F84-L205 HydrophobicContact CE1-CB 3.89Å; F84-L205 HydrophobicContact CE1-CD1 4.14Å; F84-L205 HydrophobicContact CE1-CD2 4.41Å; F84-L205 HydrophobicContact CE1-CG 4.37Å; F84-L205 HydrophobicContact CG-CD2 4.47Å; F84-L205 HydrophobicContact CZ-CD1 4.21Å; F84-Y216 VanDerWaalsContact C-CZ 3.42Å; F84-Y216 HydrophobicContact CB-CE2 3.86Å; F84-Y216 HydrophobicContact CD1-CE2 4.15Å; F84-Y216 WeakPolarHBondContact O-CE1 3.48Å; F84-Y216 PolarHBondContact O-OH 3.06Å; F84-V309 HydrophobicContact CB-CG1 4.4Å; F84-V309 HydrophobicContact CD2-CG1 3.99Å; F84-L312 HydrophobicContact CE2-CB 3.87Å; F84-L312 HydrophobicContact CZ-CB 4.4Å; F84-R313 HydrophobicContact CD2-CG 4Å; F84-R313 HydrophobicContact CE2-CG 4.38Å; F84-L320 HydrophobicContact CZ-CD1 4.12Å
85	L	98.2	Very high	97.3	Very high	76 Å²	76	55.3 Å²	55.3	40%	0.398	34%	0.337	S	S	.	.	S	Bend	trans	-124.2	159.9	168.4	-67.8	-175.8	0	0	0	111.4	E81 K82 R83 R198	E81-L85 WeakPolarHBondContact O-CD1 3.34Å; K82-L85 PolarHBondContact O-N 2.87Å; R83-L85 PolarHBondContact O-N 3.18Å; L85-R198 PolarHBondContact O-NH1 3.38Å; L85-R198 PolarHBondContact O-NH2 2.87Å; L85-R198 VanDerWaalsContact O-NH2 3.1Å
86	P	98.6	Very high	97.2	Very high	75 Å²	75	58.7 Å²	58.7	49%	0.487	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-53	148.4	168.2	-25.1	34.8	0	0	0	112.2	L219	P86-L219 HydrophobicContact CB-CD1 4.07Å; P86-L219 HydrophobicContact CG-CD1 4.03Å
87	P	98.6	Very high	97.1	Very high	22 Å²	22	62.9 Å²	62.9	14%	0.143	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-69.5	144.5	175.8	31.9	-35.3	0	0	0	111.3	A75 L142 L219 D220 Q223	A75-P87 HydrophobicContact CB-CB 4Å; P87-L142 HydrophobicContact CB-CD1 4.08Å; P87-L219 HydrophobicContact CG-CB 4.32Å; P87-L219 WeakPolarHBondContact CG-O 3.12Å; P87-D220 WeakPolarHBondContact CB-OD1 3.48Å; P87-D220 WeakPolarHBondContact CG-OD1 3.45Å; P87-Q223 HydrophobicContact CB-CB 4.29Å; P87-Q223 HydrophobicContact CB-CG 4.2Å; P87-Q223 HydrophobicContact CG-CB 3.62Å; P87-Q223 HydrophobicContact CG-CG 4.04Å
88	E	98.1	Very high	97.1	Very high	95 Å²	95	65.7 Å²	65.7	44%	0.444	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-97.4	156.6	169.1	-71.8	171.9	-140.5	0	0	110.8	A75 A76 K82	A75-E88 CarbonylContact C-O 3.6Å; A75-E88 WeakPolarHBondContact CA-O 3.36Å; A75-E88 VanDerWaalsContact CB-O 3.29Å; A75-E88 WeakPolarHBondContact CB-O 3.46Å; A76-E88 HydrophobicContact CB-CB 4.21Å; A76-E88 PolarHBondContact N-O 2.85Å; K82-E88 WeakPolarHBondContact CE-OE1 3.5Å; K82-E88 IonicContact NZ-OE1 3.69Å; K82-E88 PolarHBondContact NZ-OE1 2.91Å; K82-E88 IonicContact NZ-OE2 3.98Å; K82-E88 PolarHBondContact NZ-OE2 2.89Å
89	P	97.2	Very high	97.1	Very high	79 Å²	79	65.4 Å²	65.4	51%	0.513	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-55	151.8	170.3	-26.2	35.8	0	0	0	113.4	F48	F48-P89 HydrophobicContact CE1-CB 4.39Å
90	P	96.6	Very high	97.1	Very high	5 Å²	5	63.3 Å²	63.3	3%	0.032	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-72.2	145.1	-175.4	29	-30.3	0	0	0	110.9	F48 P73 Y74 S92	F48-P90 HydrophobicContact CD1-CG 3.79Å; F48-P90 WeakPolarHBondContact CD1-O 3.34Å; F48-P90 HydrophobicContact CD2-CG 3.95Å; F48-P90 HydrophobicContact CE1-CG 3.79Å; F48-P90 WeakPolarHBondContact CE1-O 3.19Å; F48-P90 HydrophobicContact CE2-CG 3.94Å; F48-P90 HydrophobicContact CG-CG 3.87Å; F48-P90 HydrophobicContact CZ-CG 3.87Å; P73-P90 HydrophobicContact CB-CB 4.31Å; Y74-P90 WeakPolarHBondContact O-CD 3.39Å; P90-S92 PolarHBondContact O-N 3.17Å
91	P	94.3	Very high	97.1	Very high	92 Å²	92	68.5 Å²	68.5	60%	0.597	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-68.1	131.4	175.9	28.1	-34	0	0	0	110.9
92	S	96.8	Very high	97.1	Very high	90 Å²	90	65.8 Å²	65.8	63%	0.629	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-61.9	144.7	175.2	-51.8	0	0	0	0	112.2	F48 P90	F48-S92 CarbonylContact O-C 3.49Å; F48-S92 WeakPolarHBondContact O-CA 3.25Å; F48-S92 VanDerWaalsContact O-CB 3.29Å; F48-S92 WeakPolarHBondContact O-CB 3.36Å; P90-S92 PolarHBondContact O-N 3.17Å
93	W	96.7	Very high	96.8	Very high	47 Å²	47	63.6 Å²	63.6	18%	0.178	36%	0.363	C	S	.	.			trans	-122.4	148.8	-178.6	60.6	87.3	0	0	0	112.9	F48 K50 L51 P73	F48-W93 HydrophobicContact CB-CE3 4.15Å; F48-W93 HydrophobicContact CB-CH2 3.79Å; F48-W93 HydrophobicContact CB-CZ3 3.55Å; F48-W93 PolarHBondContact O-N 3.26Å; K50-W93 PolarHBondContact O-NE1 2.72Å; L51-W93 HydrophobicContact CD2-CH2 4.1Å; L51-W93 HydrophobicContact CD2-CZ2 3.51Å; L51-W93 HydrophobicContact CG-CZ2 3.92Å; P73-W93 HydrophobicContact CG-CH2 4.13Å; P73-W93 HydrophobicContact CG-CZ3 3.8Å
94	S	95.8	Very high	96.6	Very high	119 Å²	119	65.6 Å²	65.6	83%	0.832	38%	0.377	S	S	*	.	S	Bend	trans	-88.2	161.3	171.8	62.9	0	0	0	0	111.6
95	G	95.9	Very high	96.5	Very high	56 Å²	56	65.6 Å²	65.6	58%	0.577	38%	0.377	S	S	*	.	S	Bend	trans	75.4	-137.8	-179.2	0	0	0	0	0	113.2
96	I	97.1	Very high	96.5	Very high	76 Å²	76	62.1 Å²	62.1	39%	0.39	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	120.1	178.7	-54.5	175.3	0	0	0	107.8	T43 K50 R52	T43-I96 HydrophobicContact CG2-CG2 4.48Å; K50-I96 HydrophobicContact CB-CB 4.33Å; K50-I96 HydrophobicContact CB-CG1 3.95Å; K50-I96 HydrophobicContact CB-CG2 4.29Å; K50-I96 HydrophobicContact CD-CG1 4.35Å; R52-I96 HydrophobicContact CB-CG2 3.8Å
97	R	97.4	Very high	96.4	Very high	96 Å²	96	59 Å²	59	36%	0.362	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	131.1	172	-179.1	171.7	-179.4	139.8	2	108.7	K50 L51 R52	K50-R97 PolarHBondContact O-N 3.16Å; L51-R97 CarbonylContact C-O 3.44Å; L51-R97 WeakPolarHBondContact CA-O 3.32Å; L51-R97 HydrophobicContact CD2-CB 4.31Å; R52-R97 PolarHBondContact N-O 2.92Å
98	N	97.6	Very high	96.1	Very high	95 Å²	95	58.7 Å²	58.7	51%	0.508	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	136.6	170.2	-66	-30	0	0	0	108.7	R52	R52-N98 PolarHBondContact NH1-OD1 2.88Å
99	A	97.7	Very high	95.7	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.008	32%	0.324	C	S	.	.			trans	-131.8	65.5	177.5	0	0	0	0	0	108.1	L51 R52 Y69 L70 V72	L51-A99 HydrophobicContact CD2-CB 4.2Å; R52-A99 PolarHBondContact O-N 2.87Å; Y69-A99 CarbonylContact C-O 3.56Å; Y69-A99 VanDerWaalsContact CA-O 3.3Å; Y69-A99 WeakPolarHBondContact CA-O 3.49Å; L70-A99 PolarHBondContact N-O 3.43Å; L70-A99 CarbonylContact O-C 3.45Å; L70-A99 WeakPolarHBondContact O-CA 3.18Å; L70-A99 VanDerWaalsContact O-CB 3.31Å; L70-A99 WeakPolarHBondContact O-CB 3.44Å; V72-A99 HydrophobicContact CG2-CB 4Å
100	T	96.8	Very high	94.9	Very high	44 Å²	44	52.7 Å²	52.7	27%	0.27	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-128.2	0.2	-168.7	56.9	0	0	0	0	113.9	R52 A54	R52-T100 WeakPolarHBondContact O-CG2 3.49Å; A54-T100 HydrophobicContact CB-CG2 4.05Å
101	H	95.6	Very high	93.6	Very high	147 Å²	147	60 Å²	60	68%	0.681	34%	0.336	S	S	*	.	S	Bend	trans	-140.6	150.3	-178.1	-65.2	62	0	0	0	107.4	L70	L70-H101 CarbonylContact C-O 3.52Å; L70-H101 WeakPolarHBondContact CB-O 3.44Å
102	F	95.9	Very high	92.1	Very high	87 Å²	87	58.3 Å²	58.3	38%	0.382	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-66	145.8	172.5	-66	-61.8	0	0	0	111.2	L70 N145 N177	L70-F102 HydrophobicContact CB-CD1 4.24Å; L70-F102 HydrophobicContact CB-CE1 4.48Å; L70-F102 HydrophobicContact CD1-CD1 4.28Å; L70-F102 HydrophobicContact CD1-CE1 4.07Å; L70-F102 HydrophobicContact CD1-CE2 4.33Å; L70-F102 HydrophobicContact CD1-CZ 4.1Å; L70-F102 HydrophobicContact CD2-CD1 4.47Å; L70-F102 HydrophobicContact CD2-CE1 3.87Å; L70-F102 HydrophobicContact CD2-CZ 4.34Å; L70-F102 HydrophobicContact CG-CE1 4.36Å; F102-N145 HydrophobicContact CE1-CB 4.45Å; F102-N177 HydrophobicContact CB-CB 4.43Å; F102-N177 HydrophobicContact CD1-CB 3.79Å; F102-N177 VanDerWaalsContact CD1-CG 3.48Å; F102-N177 VanDerWaalsContact CD1-OD1 3.23Å; F102-N177 WeakPolarHBondContact CD1-OD1 3.3Å; F102-N177 HydrophobicContact CD2-CB 4.35Å; F102-N177 HydrophobicContact CE1-CB 4.05Å; F102-N177 HydrophobicContact CG-CB 3.95Å; F102-N177 HydrophobicContact CZ-CB 4.44Å
103	P	91.1	Very high	90.3	Very high	22 Å²	22	57.6 Å²	57.6	14%	0.143	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-86.6	170.8	172.6	37.9	-33.9	0	0	0	110.7	Y143 N177	P103-Y143 HydrophobicContact CB-CD1 4.31Å; P103-Y143 HydrophobicContact CB-CD2 3.63Å; P103-Y143 HydrophobicContact CB-CE2 4.07Å; P103-Y143 HydrophobicContact CB-CG 3.82Å; P103-Y143 VanDerWaalsContact CG-CB 3.47Å; P103-Y143 HydrophobicContact CG-CD1 4.27Å; P103-Y143 HydrophobicContact CG-CD2 3.65Å; P103-Y143 HydrophobicContact CG-CG 3.53Å; P103-N177 PolarHBondContact O-ND2 2.84Å
104	P	94.3	Very high	88.7	Confident	52 Å²	52	56.6 Å²	56.6	34%	0.338	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-46.5	142.5	165.6	-31.1	38.4	0	0	0	113.5	E136 N138	P104-E136 WeakPolarHBondContact CB-O 3.42Å; P104-N138 HydrophobicContact CB-CB 3.57Å; P104-N138 HydrophobicContact CG-CB 4.2Å
105	V	96.1	Very high	87.8	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.006	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-83.5	162.1	172.3	-59.5	0	0	0	0	111.3	Y133 I134 P137 N138 T175	V105-Y133 VanDerWaalsContact CG1-O 3.25Å; V105-Y133 WeakPolarHBondContact CG1-O 3.25Å; V105-I134 HydrophobicContact CG2-CB 4.41Å; V105-I134 HydrophobicContact CG2-CG2 4.27Å; V105-P137 HydrophobicContact CG2-CB 4.17Å; V105-P137 WeakPolarHBondContact O-CA 3.35Å; V105-N138 PolarHBondContact O-N 3.44Å; V105-T175 HydrophobicContact CG1-CG2 4.04Å; V105-T175 WeakPolarHBondContact CG1-OG1 3.33Å
106	C	97.7	Very high	87.1	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.02	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-66.5	149.1	174.5	-59.9	0	0	0	0	111.6	Q108 C141 Y197 V199	C106-Q108 WeakPolarHBondContact O-CG 3.16Å; C106-Q108 PolarHBondContact O-N 2.67Å; C106-Q108 PolarHBondContact O-NE2 2.73Å; C106-C141 VanDerWaalsContact CA-CB 3.49Å; C106-C141 WeakPolarHBondContact CA-SG 3.4Å; C106-C141 HydrophobicContact CB-CB 3.81Å; C106-C141 WeakPolarHBondContact CB-SG 3.06Å; C106-C141 WeakPolarHBondContact SG-CB 3.43Å; C106-C141 CovalentContact SG-SG 2.03Å; C106-C141 PolarHBondContact SG-SG 3.38Å; C106-Y197 VanDerWaalsContact SG-C 3.59Å; C106-Y197 PolarHBondContact SG-O 2.9Å; C106-V199 HydrophobicContact CB-CG2 3.98Å
107	P	96.9	Very high	86.6	Confident	11 Å²	11	52.3 Å²	52.3	7%	0.071	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-67	124.6	-173.6	-20.1	35.2	0	0	0	112.6	P137 N138 E139 L202 A317 V321	P107-P137 HydrophobicContact CB-CB 4.5Å; P107-N138 VanDerWaalsContact CD-O 3.3Å; P107-N138 WeakPolarHBondContact CD-O 3.38Å; P107-E139 HydrophobicContact CG-CG 4.01Å; P107-L202 HydrophobicContact CB-CD1 3.81Å; P107-L202 HydrophobicContact CG-CD1 3.62Å; P107-A317 HydrophobicContact CB-CB 4.11Å; P107-A317 HydrophobicContact CG-CB 3.95Å; P107-V321 HydrophobicContact CB-CG2 4.26Å
108	Q	93.5	Very high	86	Confident	15 Å²	15	48.1 Å²	48.1	7%	0.07	26%	0.263	C	S	.	.			trans	-151.7	161.8	-172.7	60.2	-165.1	-92	0	0	110.1	C106 I134 M172 E173 G174 V199	C106-Q108 WeakPolarHBondContact O-CG 3.16Å; C106-Q108 PolarHBondContact O-N 2.67Å; C106-Q108 PolarHBondContact O-NE2 2.73Å; Q108-I134 HydrophobicContact CG-CG2 3.6Å; Q108-I134 VanDerWaalsContact OE1-CD1 3.28Å; Q108-M172 WeakPolarHBondContact CB-O 3.38Å; Q108-E173 HydrophobicContact CB-CB 4.16Å; Q108-E173 HydrophobicContact CG-CB 4.47Å; Q108-G174 PolarHBondContact NE2-O 3.01Å; Q108-G174 PolarHBondContact OE1-O 2.99Å; Q108-V199 HydrophobicContact CB-CG2 4.02Å
109	N	87.6	Confident	85.7	Confident	36 Å²	36	43.8 Å²	43.8	19%	0.193	24%	0.239	C	C	.	.			trans	-136.4	106.2	178.9	-177	5.7	0	0	0	111.7	H111 T112 V321	N109-H111 PolarHBondContact OD1-N 2.99Å; N109-T112 VanDerWaalsContact CG-OG1 3.31Å; N109-T112 WeakPolarHBondContact ND2-CG2 3.47Å; N109-T112 PolarHBondContact ND2-OG1 2.61Å; N109-T112 PolarHBondContact O-OG1 2.83Å; N109-V321 HydrophobicContact CB-CG1 4.04Å
110	I	81.9	Confident	85.4	Confident	11 Å²	11	44 Å²	44	6%	0.056	24%	0.241	C	C	.	.	S	Bend	trans	-91.7	3.1	179.4	63.1	172.8	0	0	0	113.8	F123 V130 A131 I134 E173	I110-F123 HydrophobicContact CG2-CZ 4.46Å; I110-V130 HydrophobicContact CD1-CG1 4.26Å; I110-A131 HydrophobicContact CD1-CB 3.8Å; I110-I134 HydrophobicContact CD1-CD1 4.24Å; I110-I134 HydrophobicContact CG2-CD1 4Å; I110-E173 HydrophobicContact CG2-CB 3.86Å; I110-E173 HydrophobicContact CG2-CG 4.08Å
111	H	68.5	Low	85.1	Confident	160 Å²	160	42.3 Å²	42.3	74%	0.741	23%	0.231	S	C	*	.	S	Bend	trans	-101.4	-13.1	-178.4	-56.8	-53.2	0	0	0	113.4	N109	N109-H111 PolarHBondContact OD1-N 2.99Å
112	T	62.9	Low	84.8	Confident	56 Å²	56	36.3 Å²	36.3	34%	0.344	20%	0.202	S	C	.	.	S	Bend	trans	-76.5	172.8	164.5	31.1	0	0	0	0	111.4	N109 V114	N109-T112 VanDerWaalsContact CG-OG1 3.31Å; N109-T112 WeakPolarHBondContact ND2-CG2 3.47Å; N109-T112 PolarHBondContact ND2-OG1 2.61Å; N109-T112 PolarHBondContact O-OG1 2.83Å; T112-V114 VanDerWaalsContact O-CG2 3.25Å; T112-V114 WeakPolarHBondContact O-CG2 3.46Å; T112-V114 PolarHBondContact O-N 2.92Å
113	A	58.9	Low	84.6	Confident	75 Å²	75	32.3 Å²	32.3	62%	0.62	18%	0.184	S	C	*	.			trans	-66.9	92.4	-179.3	0	0	0	0	0	111.9
114	V	63.1	Low	84.4	Confident	26 Å²	26	32 Å²	32	16%	0.158	18%	0.182	C	C	.	.			trans	-76.6	138.2	177.7	-155.1	0	0	0	0	109.6	T112 E116 L119 E173	T112-V114 VanDerWaalsContact O-CG2 3.25Å; T112-V114 WeakPolarHBondContact O-CG2 3.46Å; T112-V114 PolarHBondContact O-N 2.92Å; V114-E116 VanDerWaalsContact C-N 3.32Å; V114-E116 PolarHBondContact O-N 2.99Å; V114-L119 HydrophobicContact CB-CD1 4.25Å; V114-L119 HydrophobicContact CG1-CD1 3.45Å; V114-L119 VanDerWaalsContact CG1-CD1 3.45Å; V114-L119 HydrophobicContact CG1-CG 4.36Å; V114-E173 HydrophobicContact CG1-CG 4.49Å; V114-E173 VanDerWaalsContact CG1-OE2 3.28Å; V114-E173 WeakPolarHBondContact CG1-OE2 3.41Å
115	P	77.5	Confident	84	Confident	46 Å²	46	31.2 Å²	31.2	30%	0.299	18%	0.18	S	C	.	.			trans	-74.5	80.8	-178.6	30.3	-36.7	0	0	0	111.8	V117 M118	P115-V117 PolarHBondContact O-N 3.38Å; P115-M118 HydrophobicContact CB-CE 4.11Å; P115-M118 HydrophobicContact CB-CG 4.14Å; P115-M118 HydrophobicContact CB-SD 4.05Å; P115-M118 HydrophobicContact CG-CE 4.44Å; P115-M118 HydrophobicContact CG-CG 4.38Å; P115-M118 HydrophobicContact CG-SD 3.92Å; P115-M118 WeakPolarHBondContact O-CB 3.2Å; P115-M118 PolarHBondContact O-N 3.21Å
116	E	81	Confident	83.4	Confident	89 Å²	89	32 Å²	32	42%	0.416	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-50.8	-30.8	-176.3	-65.9	-171.7	-132	0	0	114.3	V114 M118 L119 T124 K372	V114-E116 VanDerWaalsContact C-N 3.32Å; V114-E116 PolarHBondContact O-N 2.99Å; E116-M118 PolarHBondContact O-N 2.97Å; E116-M118 VanDerWaalsContact O-N 3.15Å; E116-L119 PolarHBondContact O-N 3.14Å; E116-L119 VanDerWaalsContact O-N 3.14Å; E116-T124 HydrophobicContact CB-CG2 4.08Å; E116-T124 HydrophobicContact CG-CG2 3.9Å; E116-K372 HydrophobicContact CB-CD 4.24Å; E116-K372 VanDerWaalsContact OE2-CE 3.3Å; E116-K372 WeakPolarHBondContact OE2-CE 3.46Å; E116-K372 IonicContact OE2-NZ 3.72Å; E116-K372 PolarHBondContact OE2-NZ 3.38Å
117	V	85.7	Confident	82.9	Confident	26 Å²	26	34.9 Å²	34.9	16%	0.158	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-64.6	-12.3	176.8	-59.7	0	0	0	0	114.7	P115 Y330 K372 F438	P115-V117 PolarHBondContact O-N 3.38Å; V117-Y330 HydrophobicContact CG2-CD1 4.28Å; V117-Y330 HydrophobicContact CG2-CE1 4.42Å; V117-K372 HydrophobicContact CG1-CB 4.27Å; V117-F438 HydrophobicContact CB-CE1 4.17Å; V117-F438 HydrophobicContact CB-CZ 4.27Å; V117-F438 HydrophobicContact CG2-CZ 4.45Å
118	M	86.8	Confident	82.5	Confident	8 Å²	8	41.3 Å²	41.3	4%	0.039	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-106	-12.8	176.1	-52.3	-175.4	-172	0	0	112.9	P115 E116 W281 V332	P115-M118 HydrophobicContact CB-CE 4.11Å; P115-M118 HydrophobicContact CB-CG 4.14Å; P115-M118 HydrophobicContact CB-SD 4.05Å; P115-M118 HydrophobicContact CG-CE 4.44Å; P115-M118 HydrophobicContact CG-CG 4.38Å; P115-M118 HydrophobicContact CG-SD 3.92Å; P115-M118 WeakPolarHBondContact O-CB 3.2Å; P115-M118 PolarHBondContact O-N 3.21Å; E116-M118 PolarHBondContact O-N 2.97Å; E116-M118 VanDerWaalsContact O-N 3.15Å; M118-W281 HydrophobicContact CE-CB 4.03Å; M118-W281 HydrophobicContact CE-CE3 3.98Å; M118-W281 HydrophobicContact CG-CD2 4.09Å; M118-W281 HydrophobicContact CG-CE3 3.59Å; M118-W281 HydrophobicContact CG-CZ3 3.83Å; M118-W281 HydrophobicContact SD-CB 3.92Å; M118-W281 HydrophobicContact SD-CD2 4.31Å; M118-W281 HydrophobicContact SD-CE3 4.08Å; M118-W281 HydrophobicContact SD-CG 4.31Å; M118-V332 HydrophobicContact SD-CG1 4.28Å
119	L	90.3	Very high	82.4	Confident	3 Å²	3	43 Å²	43	2%	0.016	24%	0.242	C	C	.	.	S	Bend	trans	-96.8	151.2	-169	-77.2	-174.9	0	0	0	113.1	V114 E116 V121 F123 T124 G169	V114-L119 HydrophobicContact CB-CD1 4.25Å; V114-L119 HydrophobicContact CG1-CD1 3.45Å; V114-L119 VanDerWaalsContact CG1-CD1 3.45Å; V114-L119 HydrophobicContact CG1-CG 4.36Å; E116-L119 PolarHBondContact O-N 3.14Å; E116-L119 VanDerWaalsContact O-N 3.14Å; L119-V121 PolarHBondContact O-N 3.07Å; L119-F123 HydrophobicContact CD1-CD1 3.8Å; L119-F123 HydrophobicContact CD1-CE1 3.91Å; L119-T124 HydrophobicContact CB-CG2 3.58Å; L119-T124 HydrophobicContact CD1-CG2 3.73Å; L119-T124 HydrophobicContact CG-CG2 4.32Å; L119-G169 VanDerWaalsContact CD2-C 3.45Å
120	P	91.3	Very high	82.5	Confident	7 Å²	7	41.3 Å²	41.3	5%	0.045	23%	0.233	C	C	.	.			trans	-57.5	137.2	170.3	-25.2	35.2	0	0	0	112	W122 F123 T124 H483	P120-W122 VanDerWaalsContact C-N 3.27Å; P120-W122 HydrophobicContact CB-CD2 4.07Å; P120-W122 HydrophobicContact CB-CG 4.26Å; P120-W122 HydrophobicContact CB-CZ2 3.87Å; P120-W122 HydrophobicContact CG-CZ2 4.04Å; P120-W122 PolarHBondContact O-N 3.34Å; P120-F123 HydrophobicContact CB-CB 4.19Å; P120-F123 WeakPolarHBondContact O-CB 3.16Å; P120-F123 PolarHBondContact O-N 2.92Å; P120-T124 PolarHBondContact O-N 3.32Å; P120-T124 VanDerWaalsContact O-N 3.17Å; P120-T124 PolarHBondContact O-OG1 3.05Å; P120-H483 WeakPolarHBondContact CA-O 3.33Å
121	V	90.8	Very high	82.9	Confident	8 Å²	8	42 Å²	42	5%	0.048	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-37.2	-175.5	179.2	0	0	0	0	111.4	L119 F123 T124 A125 L371 K475 A482 H483	L119-V121 PolarHBondContact O-N 3.07Å; V121-F123 VanDerWaalsContact C-N 3.27Å; V121-F123 PolarHBondContact O-N 2.95Å; V121-T124 PolarHBondContact O-N 2.97Å; V121-T124 PolarHBondContact O-OG1 3.29Å; V121-T124 VanDerWaalsContact O-OG1 3.14Å; V121-A125 WeakPolarHBondContact O-CB 3.26Å; V121-A125 PolarHBondContact O-N 3.48Å; V121-L371 HydrophobicContact CG2-CD2 4.32Å; V121-K475 HydrophobicContact CG1-CD 4.19Å; V121-K475 HydrophobicContact CG1-CG 3.89Å; V121-A482 HydrophobicContact CG2-CB 3.77Å; V121-H483 PolarHBondContact N-O 3.22Å
122	W	89.8	Confident	84	Confident	21 Å²	21	37.8 Å²	37.8	8%	0.08	23%	0.226	C	C	.	.	H	α-helix	trans	-63.8	-28.8	175.3	57.8	-101.5	0	0	0	113.6	P120 N126 M178 I179 G484 V487 L501 F502	P120-W122 VanDerWaalsContact C-N 3.27Å; P120-W122 HydrophobicContact CB-CD2 4.07Å; P120-W122 HydrophobicContact CB-CG 4.26Å; P120-W122 HydrophobicContact CB-CZ2 3.87Å; P120-W122 HydrophobicContact CG-CZ2 4.04Å; P120-W122 PolarHBondContact O-N 3.34Å; W122-N126 WeakPolarHBondContact O-CB 3.42Å; W122-N126 PolarHBondContact O-N 3.16Å; W122-N126 PolarHBondContact O-ND2 2.91Å; W122-M178 HydrophobicContact CH2-CE 4.19Å; W122-M178 HydrophobicContact CH2-SD 4.44Å; W122-I179 HydrophobicContact CH2-CD1 4.49Å; W122-G484 VanDerWaalsContact CD1-O 3.24Å; W122-G484 PolarHBondContact NE1-O 3.04Å; W122-G484 VanDerWaalsContact NE1-O 3.08Å; W122-V487 HydrophobicContact CZ2-CG1 4.32Å; W122-L501 HydrophobicContact CE3-CD1 4.03Å; W122-L501 HydrophobicContact CE3-CD2 4.43Å; W122-L501 HydrophobicContact CE3-CG 4.13Å; W122-L501 HydrophobicContact CZ3-CD1 4.08Å; W122-L501 HydrophobicContact CZ3-CD2 4.09Å; W122-L501 HydrophobicContact CZ3-CG 4.24Å; W122-F502 HydrophobicContact CB-CD1 4.13Å; W122-F502 HydrophobicContact CB-CE1 4.1Å; W122-F502 AromaticContact CD1-CE1 3.8Å; W122-F502 HydrophobicContact CD2-CD1 4.46Å; W122-F502 AromaticContact CD2-CE1 3.6Å; W122-F502 HydrophobicContact CD2-CE1 3.6Å; W122-F502 HydrophobicContact CD2-CZ 4.1Å; W122-F502 AromaticContact CE2-CE1 3.91Å; W122-F502 HydrophobicContact CE3-CE1 4.11Å; W122-F502 HydrophobicContact CE3-CZ 4.29Å; W122-F502 HydrophobicContact CG-CD1 4.12Å; W122-F502 AromaticContact CG-CE1 3.58Å; W122-F502 HydrophobicContact CG-CE1 3.58Å; W122-F502 AromaticContact NE1-CE1 3.95Å
123	F	90.7	Very high	85.3	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.009	22%	0.224	C	C	.	.	H	α-helix	trans	-75.9	-50.7	178.2	-173.2	-75.2	0	0	0	110.2	I110 L119 P120 V121 A125 N126 L127 V130 I134 E173 M178	I110-F123 HydrophobicContact CG2-CZ 4.46Å; L119-F123 HydrophobicContact CD1-CD1 3.8Å; L119-F123 HydrophobicContact CD1-CE1 3.91Å; P120-F123 HydrophobicContact CB-CB 4.19Å; P120-F123 WeakPolarHBondContact O-CB 3.16Å; P120-F123 PolarHBondContact O-N 2.92Å; V121-F123 VanDerWaalsContact C-N 3.27Å; V121-F123 PolarHBondContact O-N 2.95Å; F123-A125 VanDerWaalsContact C-N 3.3Å; F123-A125 PolarHBondContact O-N 3.02Å; F123-N126 PolarHBondContact O-N 3.31Å; F123-L127 HydrophobicContact CD1-CD2 4.17Å; F123-L127 HydrophobicContact CE1-CD2 4.13Å; F123-V130 HydrophobicContact CD1-CG1 4.31Å; F123-V130 HydrophobicContact CD2-CG1 4.05Å; F123-V130 HydrophobicContact CD2-CG2 4.07Å; F123-V130 HydrophobicContact CE1-CG1 3.89Å; F123-V130 HydrophobicContact CE2-CG1 3.59Å; F123-V130 HydrophobicContact CE2-CG2 4.44Å; F123-V130 HydrophobicContact CG-CG1 4.4Å; F123-V130 HydrophobicContact CG-CG2 4.15Å; F123-V130 HydrophobicContact CZ-CG1 3.51Å; F123-I134 HydrophobicContact CZ-CD1 4.49Å; F123-E173 HydrophobicContact CE1-CG 4.13Å; F123-E173 HydrophobicContact CZ-CG 3.75Å; F123-M178 HydrophobicContact CD2-CE 4.37Å; F123-M178 HydrophobicContact CD2-SD 4.2Å; F123-M178 HydrophobicContact CE2-CE 4.2Å; F123-M178 HydrophobicContact CE2-SD 3.97Å
124	T	87	Confident	86.7	Confident	15 Å²	15	36 Å²	36	9%	0.092	20%	0.198	C	C	.	.	H	α-helix	trans	-67	-29.9	178.5	50.3	0	0	0	0	113.2	E116 L119 P120 V121	E116-T124 HydrophobicContact CB-CG2 4.08Å; E116-T124 HydrophobicContact CG-CG2 3.9Å; L119-T124 HydrophobicContact CB-CG2 3.58Å; L119-T124 HydrophobicContact CD1-CG2 3.73Å; L119-T124 HydrophobicContact CG-CG2 4.32Å; P120-T124 PolarHBondContact O-N 3.32Å; P120-T124 VanDerWaalsContact O-N 3.17Å; P120-T124 PolarHBondContact O-OG1 3.05Å; V121-T124 PolarHBondContact O-N 2.97Å; V121-T124 PolarHBondContact O-OG1 3.29Å; V121-T124 VanDerWaalsContact O-OG1 3.14Å
125	A	85.2	Confident	87.5	Confident	36 Å²	36	40.9 Å²	40.9	30%	0.298	22%	0.219	S	C	.	.	H	α-helix	trans	-72.6	-36.6	177.6	0	0	0	0	0	112.6	V121 F123 M474	V121-A125 WeakPolarHBondContact O-CB 3.26Å; V121-A125 PolarHBondContact O-N 3.48Å; F123-A125 VanDerWaalsContact C-N 3.3Å; F123-A125 PolarHBondContact O-N 3.02Å; A125-M474 HydrophobicContact CB-CB 3.98Å; A125-M474 HydrophobicContact CB-CE 3.88Å; A125-M474 HydrophobicContact CB-SD 3.91Å; A125-M474 WeakPolarHBondContact O-CE 3.42Å
126	N	85.1	Confident	87.7	Confident	18 Å²	18	46.8 Å²	46.8	10%	0.096	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	39.9	-171.2	-61.4	-73.8	0	0	0	112.9	W122 F123 D128 I129 V130 M474 L501 P503	W122-N126 WeakPolarHBondContact O-CB 3.42Å; W122-N126 PolarHBondContact O-N 3.16Å; W122-N126 PolarHBondContact O-ND2 2.91Å; F123-N126 PolarHBondContact O-N 3.31Å; N126-D128 PolarHBondContact O-N 2.88Å; N126-D128 VanDerWaalsContact O-N 3.14Å; N126-I129 HydrophobicContact CB-CB 4.29Å; N126-I129 HydrophobicContact CB-CG1 4.5Å; N126-I129 PolarHBondContact O-N 3.27Å; N126-V130 WeakPolarHBondContact O-CG2 3.49Å; N126-V130 PolarHBondContact O-N 3.34Å; N126-M474 VanDerWaalsContact OD1-CE 3.31Å; N126-M474 WeakPolarHBondContact OD1-CE 3.32Å; N126-M474 PolarHBondContact OD1-SD 3.08Å; N126-M474 VanDerWaalsContact OD1-SD 3.35Å; N126-L501 PolarHBondContact ND2-O 3.22Å; N126-P503 WeakPolarHBondContact OD1-CG 3.4Å
127	L	87.2	Confident	88.3	Confident	64 Å²	64	45.8 Å²	45.8	34%	0.335	24%	0.244	S	C	.	.	H	α-helix	trans	-54.3	-35.3	-175.4	-74.3	173.9	0	0	0	113.8	F123 I129 V130 A131	F123-L127 HydrophobicContact CD1-CD2 4.17Å; F123-L127 HydrophobicContact CE1-CD2 4.13Å; L127-I129 VanDerWaalsContact C-N 3.33Å; L127-I129 PolarHBondContact O-N 2.91Å; L127-V130 PolarHBondContact O-N 2.87Å; L127-A131 VanDerWaalsContact O-CB 3.27Å; L127-A131 WeakPolarHBondContact O-CB 3.36Å; L127-A131 PolarHBondContact O-N 2.89Å
128	D	88.3	Confident	88.8	Confident	146 Å²	146	48.3 Å²	48.3	78%	0.781	26%	0.257	S	S	*	.	H	α-helix	trans	-63.5	-36	175.2	-71	-30.6	0	0	0	113	N126	N126-D128 PolarHBondContact O-N 2.88Å; N126-D128 VanDerWaalsContact O-N 3.14Å
129	I	90.3	Very high	89.3	Confident	50 Å²	50	49.5 Å²	49.5	26%	0.256	26%	0.262	S	S	.	.	H	α-helix	trans	-79.5	-43	177.2	-56.7	-58.3	0	0	0	110.3	N126 L127 A131 T132 Y133 D500 L501	N126-I129 HydrophobicContact CB-CB 4.29Å; N126-I129 HydrophobicContact CB-CG1 4.5Å; N126-I129 PolarHBondContact O-N 3.27Å; L127-I129 VanDerWaalsContact C-N 3.33Å; L127-I129 PolarHBondContact O-N 2.91Å; I129-A131 PolarHBondContact O-N 2.99Å; I129-T132 WeakPolarHBondContact O-CA 3.12Å; I129-T132 WeakPolarHBondContact O-CB 3.35Å; I129-T132 PolarHBondContact O-N 2.95Å; I129-T132 PolarHBondContact O-OG1 3.34Å; I129-Y133 HydrophobicContact CG2-CE2 4.17Å; I129-Y133 WeakPolarHBondContact O-CD2 3.11Å; I129-D500 HydrophobicContact CD1-CB 4.3Å; I129-D500 HydrophobicContact CG1-CB 4.49Å; I129-D500 HydrophobicContact CG2-CB 3.94Å; I129-L501 HydrophobicContact CG2-CB 4.39Å; I129-L501 HydrophobicContact CG2-CD1 4.47Å
130	V	90.1	Very high	89.7	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-55.2	-40	172.7	166.3	0	0	0	0	111	I110 F123 N126 L127 T132 Y133 I134 L501	I110-V130 HydrophobicContact CD1-CG1 4.26Å; F123-V130 HydrophobicContact CD1-CG1 4.31Å; F123-V130 HydrophobicContact CD2-CG1 4.05Å; F123-V130 HydrophobicContact CD2-CG2 4.07Å; F123-V130 HydrophobicContact CE1-CG1 3.89Å; F123-V130 HydrophobicContact CE2-CG1 3.59Å; F123-V130 HydrophobicContact CE2-CG2 4.44Å; F123-V130 HydrophobicContact CG-CG1 4.4Å; F123-V130 HydrophobicContact CG-CG2 4.15Å; F123-V130 HydrophobicContact CZ-CG1 3.51Å; N126-V130 WeakPolarHBondContact O-CG2 3.49Å; N126-V130 PolarHBondContact O-N 3.34Å; L127-V130 PolarHBondContact O-N 2.87Å; V130-T132 PolarHBondContact O-N 2.7Å; V130-Y133 PolarHBondContact O-N 2.83Å; V130-Y133 VanDerWaalsContact O-N 3.08Å; V130-I134 HydrophobicContact CG1-CD1 3.62Å; V130-I134 PolarHBondContact O-N 2.86Å; V130-L501 HydrophobicContact CG2-CD1 3.66Å
131	A	90.1	Very high	90	Very high	25 Å²	25	51.4 Å²	51.4	21%	0.207	27%	0.272	C	S	.	.	H	α-helix	trans	-59	-27.6	173.6	0	0	0	0	0	113.4	I110 L127 I129 I134 Q135	I110-A131 HydrophobicContact CD1-CB 3.8Å; L127-A131 VanDerWaalsContact O-CB 3.27Å; L127-A131 WeakPolarHBondContact O-CB 3.36Å; L127-A131 PolarHBondContact O-N 2.89Å; I129-A131 PolarHBondContact O-N 2.99Å; A131-I134 PolarHBondContact O-N 3.43Å; A131-Q135 WeakPolarHBondContact O-CG 3.32Å; A131-Q135 PolarHBondContact O-N 3.26Å
132	T	91.6	Very high	90.4	Very high	72 Å²	72	51.1 Å²	51.1	44%	0.442	27%	0.27	S	S	.	.	H	α-helix	trans	-71.2	-30.3	175.6	73.5	0	0	0	0	113.3	I129 V130 I134	I129-T132 WeakPolarHBondContact O-CA 3.12Å; I129-T132 WeakPolarHBondContact O-CB 3.35Å; I129-T132 PolarHBondContact O-N 2.95Å; I129-T132 PolarHBondContact O-OG1 3.34Å; V130-T132 PolarHBondContact O-N 2.7Å; T132-I134 VanDerWaalsContact C-N 3.31Å
133	Y	90.3	Very high	90.8	Very high	79 Å²	79	51 Å²	51	31%	0.31	27%	0.27	S	S	.	.	H	α-helix	trans	-78.8	-15.4	174.3	-69.9	-87.4	0	0	0	113.1	V105 I129 V130 M178 L501	V105-Y133 VanDerWaalsContact CG1-O 3.25Å; V105-Y133 WeakPolarHBondContact CG1-O 3.25Å; I129-Y133 HydrophobicContact CG2-CE2 4.17Å; I129-Y133 WeakPolarHBondContact O-CD2 3.11Å; V130-Y133 PolarHBondContact O-N 2.83Å; V130-Y133 VanDerWaalsContact O-N 3.08Å; Y133-M178 HydrophobicContact CD1-CB 4.01Å; Y133-M178 HydrophobicContact CD2-CB 4.34Å; Y133-M178 HydrophobicContact CE1-CB 4.46Å; Y133-M178 HydrophobicContact CG-CB 3.94Å; Y133-L501 HydrophobicContact CE2-CD2 4.48Å
134	I	88.4	Confident	91.2	Very high	15 Å²	15	50.9 Å²	50.9	8%	0.077	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	8.7	-173.3	-68.2	163.9	0	0	0	112	V105 Q108 I110 F123 V130 A131 T132 T175	V105-I134 HydrophobicContact CG2-CB 4.41Å; V105-I134 HydrophobicContact CG2-CG2 4.27Å; Q108-I134 HydrophobicContact CG-CG2 3.6Å; Q108-I134 VanDerWaalsContact OE1-CD1 3.28Å; I110-I134 HydrophobicContact CD1-CD1 4.24Å; I110-I134 HydrophobicContact CG2-CD1 4Å; F123-I134 HydrophobicContact CZ-CD1 4.49Å; V130-I134 HydrophobicContact CG1-CD1 3.62Å; V130-I134 PolarHBondContact O-N 2.86Å; A131-I134 PolarHBondContact O-N 3.43Å; T132-I134 VanDerWaalsContact C-N 3.31Å; I134-T175 HydrophobicContact CG1-CG2 4.44Å
135	Q	80.4	Confident	91.7	Very high	127 Å²	127	50.2 Å²	50.2	59%	0.593	27%	0.265	S	S	*	.			trans	-64.7	152.6	177.6	-60	-172.4	-0.9	0	0	112.7	A131	A131-Q135 WeakPolarHBondContact O-CG 3.32Å; A131-Q135 PolarHBondContact O-N 3.26Å
136	E	82.4	Confident	92.4	Very high	171 Å²	171	48.5 Å²	48.5	80%	0.799	25%	0.251	S	S	*	.	S	Bend	trans	49.1	53	177.3	-54.9	-167.2	160.1	0	0	115.2	P104	P104-E136 WeakPolarHBondContact CB-O 3.42Å
137	P	92.3	Very high	93	Very high	67 Å²	67	47.7 Å²	47.7	44%	0.435	25%	0.246	S	C	.	.			trans	-61.9	144	-179.1	24.9	-33.8	0	0	0	113.2	V105 P107	V105-P137 HydrophobicContact CG2-CB 4.17Å; V105-P137 WeakPolarHBondContact O-CA 3.35Å; P107-P137 HydrophobicContact CB-CB 4.5Å
138	N	96.4	Very high	93.6	Very high	80 Å²	80	45.3 Å²	45.3	43%	0.428	24%	0.235	S	C	.	.			trans	-142.9	150.5	-178.4	-159.4	-42.6	0	0	0	111	P104 V105 P107 D140 C141	P104-N138 HydrophobicContact CB-CB 3.57Å; P104-N138 HydrophobicContact CG-CB 4.2Å; V105-N138 PolarHBondContact O-N 3.44Å; P107-N138 VanDerWaalsContact CD-O 3.3Å; P107-N138 WeakPolarHBondContact CD-O 3.38Å; N138-D140 VanDerWaalsContact C-N 3.28Å; N138-D140 PolarHBondContact OD1-N 3.26Å; N138-C141 WeakPolarHBondContact O-CB 3.5Å
139	E	97.6	Very high	93.9	Very high	33 Å²	33	38.7 Å²	38.7	15%	0.154	20%	0.199	C	C	.	.	S	Bend	trans	-69.3	-27.1	171.9	-68.2	179.9	-114.4	0	0	111.9	P78 I79 R83 P107 C141 L202 A317	P78-E139 VanDerWaalsContact CD-O 3.3Å; P78-E139 WeakPolarHBondContact CD-O 3.35Å; P78-E139 WeakPolarHBondContact CG-O 3.2Å; I79-E139 HydrophobicContact CG2-CB 3.66Å; R83-E139 IonicContact CZ-OE1 2.8Å; R83-E139 IonicContact CZ-OE2 2.7Å; R83-E139 VanDerWaalsContact CZ-OE2 3.29Å; R83-E139 IonicContact NE-OE1 3.99Å; R83-E139 IonicContact NE-OE2 2.71Å; R83-E139 PolarHBondContact NE-OE2 2.9Å; R83-E139 VanDerWaalsContact NH2-CD 3.28Å; R83-E139 IonicContact NH2-OE1 3.67Å; R83-E139 PolarHBondContact NH2-OE1 3.27Å; R83-E139 IonicContact NH2-OE2 3.6Å; R83-E139 PolarHBondContact NH2-OE2 3.39Å; P107-E139 HydrophobicContact CG-CG 4.01Å; E139-C141 VanDerWaalsContact C-N 3.3Å; E139-C141 PolarHBondContact O-N 2.96Å; E139-L202 HydrophobicContact CG-CD1 4.27Å; E139-A317 HydrophobicContact CG-CB 3.52Å; E139-A317 VanDerWaalsContact OE1-CB 3.28Å; E139-A317 WeakPolarHBondContact OE1-CB 3.4Å
140	D	97.8	Very high	93.9	Very high	50 Å²	50	38.2 Å²	38.2	27%	0.267	20%	0.199	S	C	.	.			trans	-74.3	82.8	164.1	-174.4	-0.6	0	0	0	109.7	P77 N138 Y143	P77-D140 HydrophobicContact CB-CB 4.03Å; P77-D140 HydrophobicContact CG-CB 4.35Å; N138-D140 VanDerWaalsContact C-N 3.28Å; N138-D140 PolarHBondContact OD1-N 3.26Å; D140-Y143 WeakPolarHBondContact OD1-CE2 3.15Å; D140-Y143 VanDerWaalsContact OD1-CZ 3.31Å; D140-Y143 PolarHBondContact OD1-OH 3.1Å; D140-Y143 PolarHBondContact OD2-OH 2.83Å
141	C	98	Very high	93.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.			trans	-132.2	2.3	-175.4	67.9	0	0	0	0	115.4	C106 N138 E139 Y143 N196	C106-C141 VanDerWaalsContact CA-CB 3.49Å; C106-C141 WeakPolarHBondContact CA-SG 3.4Å; C106-C141 HydrophobicContact CB-CB 3.81Å; C106-C141 WeakPolarHBondContact CB-SG 3.06Å; C106-C141 WeakPolarHBondContact SG-CB 3.43Å; C106-C141 CovalentContact SG-SG 2.03Å; C106-C141 PolarHBondContact SG-SG 3.38Å; N138-C141 WeakPolarHBondContact O-CB 3.5Å; E139-C141 VanDerWaalsContact C-N 3.3Å; E139-C141 PolarHBondContact O-N 2.96Å; C141-Y143 VanDerWaalsContact C-N 3.26Å; C141-Y143 PolarHBondContact O-N 3.45Å; C141-N196 VanDerWaalsContact O-CB 3.32Å; C141-N196 WeakPolarHBondContact O-CB 3.47Å
142	L	98.7	Very high	92.1	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	24%	0.243	C	C	.	.			trans	-79.3	71.1	-174.2	-57.9	-171.7	0	0	0	112.7	Y74 A75 P78 P87 R198 D220	Y74-L142 WeakPolarHBondContact CD1-O 3.15Å; Y74-L142 HydrophobicContact CE1-CB 4.27Å; Y74-L142 HydrophobicContact CE2-CB 4.2Å; Y74-L142 PolarHBondContact N-O 2.97Å; A75-L142 HydrophobicContact CB-CB 3.92Å; A75-L142 HydrophobicContact CB-CD1 3.65Å; A75-L142 HydrophobicContact CB-CG 4.45Å; P78-L142 HydrophobicContact CB-CD1 4.23Å; P78-L142 HydrophobicContact CG-CD1 3.85Å; P78-L142 HydrophobicContact CG-CG 4Å; P87-L142 HydrophobicContact CB-CD1 4.08Å; L142-R198 HydrophobicContact CD2-CG 4.16Å; L142-D220 HydrophobicContact CD2-CB 4.26Å; L142-D220 WeakPolarHBondContact CD2-OD2 3.35Å
143	Y	98.7	Very high	90.7	Very high	18 Å²	18	46.5 Å²	46.5	7%	0.071	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152.1	-174.7	-64.6	-82.1	0	0	0	112.5	G71 V72 P73 P103 D140 C141 N196	G71-Y143 WeakPolarHBondContact O-CD1 3.36Å; V72-Y143 WeakPolarHBondContact O-CA 3.29Å; P73-Y143 HydrophobicContact CB-CD1 4Å; P73-Y143 HydrophobicContact CB-CE1 3.66Å; P73-Y143 HydrophobicContact CG-CE1 4.3Å; P103-Y143 HydrophobicContact CB-CD1 4.31Å; P103-Y143 HydrophobicContact CB-CD2 3.63Å; P103-Y143 HydrophobicContact CB-CE2 4.07Å; P103-Y143 HydrophobicContact CB-CG 3.82Å; P103-Y143 VanDerWaalsContact CG-CB 3.47Å; P103-Y143 HydrophobicContact CG-CD1 4.27Å; P103-Y143 HydrophobicContact CG-CD2 3.65Å; P103-Y143 HydrophobicContact CG-CG 3.53Å; D140-Y143 WeakPolarHBondContact OD1-CE2 3.15Å; D140-Y143 VanDerWaalsContact OD1-CZ 3.31Å; D140-Y143 PolarHBondContact OD1-OH 3.1Å; D140-Y143 PolarHBondContact OD2-OH 2.83Å; C141-Y143 VanDerWaalsContact C-N 3.26Å; C141-Y143 PolarHBondContact O-N 3.45Å; Y143-N196 PolarHBondContact O-N 2.87Å
144	L	98.8	Very high	89.2	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	161.4	170.9	61.1	79	0	0	0	111.9	G71 V72 Y74 V146 I193 T194 L195 A224 W227 V228	G71-L144 PolarHBondContact N-O 2.73Å; V72-L144 HydrophobicContact CB-CD1 4.01Å; V72-L144 WeakPolarHBondContact CB-O 3.36Å; V72-L144 HydrophobicContact CG1-CD1 4.42Å; V72-L144 PolarHBondContact N-O 3.21Å; V72-L144 PolarHBondContact O-N 2.85Å; Y74-L144 HydrophobicContact CD1-CB 4.03Å; Y74-L144 HydrophobicContact CD1-CD2 3.88Å; Y74-L144 HydrophobicContact CD1-CG 3.99Å; Y74-L144 HydrophobicContact CG-CD2 4.07Å; L144-V146 HydrophobicContact CD1-CG2 3.53Å; L144-I193 HydrophobicContact CB-CG2 4.16Å; L144-I193 HydrophobicContact CD1-CG2 4.15Å; L144-I193 HydrophobicContact CD2-CG2 4.41Å; L144-I193 HydrophobicContact CG-CG2 4.48Å; L144-T194 CarbonylContact C-O 3.53Å; L144-T194 VanDerWaalsContact CA-O 3.29Å; L144-T194 WeakPolarHBondContact CA-O 3.44Å; L144-T194 WeakPolarHBondContact CB-O 3.33Å; L144-L195 HydrophobicContact CB-CB 3.83Å; L144-A224 HydrophobicContact CD2-CB 4.29Å; L144-W227 HydrophobicContact CD1-CE3 4.2Å; L144-W227 HydrophobicContact CD1-CH2 4.19Å; L144-W227 HydrophobicContact CD1-CZ3 3.79Å; L144-W227 HydrophobicContact CD2-CD2 4.32Å; L144-W227 HydrophobicContact CD2-CE3 3.78Å; L144-W227 HydrophobicContact CD2-CZ3 4.21Å; L144-V228 HydrophobicContact CD2-CG2 4.13Å
145	N	98.8	Very high	87.8	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.5	-177.7	-54.3	-55.6	0	0	0	108.3	Y69 L70 G71 F102 Y147 N177 I193 T194	Y69-N145 CarbonylContact O-C 3.51Å; Y69-N145 WeakPolarHBondContact O-CA 3.37Å; L70-N145 WeakPolarHBondContact CA-OD1 3.41Å; L70-N145 HydrophobicContact CD2-CB 3.89Å; G71-N145 PolarHBondContact N-OD1 2.97Å; F102-N145 HydrophobicContact CE1-CB 4.45Å; N145-Y147 HydrophobicContact CB-CE2 3.86Å; N145-N177 PolarHBondContact ND2-OD1 2.87Å; N145-I193 VanDerWaalsContact O-CA 3.25Å; N145-I193 WeakPolarHBondContact O-CA 3.3Å; N145-T194 PolarHBondContact N-O 3.39Å; N145-T194 PolarHBondContact ND2-OG1 3.26Å; N145-T194 PolarHBondContact O-N 3.02Å
146	V	98.8	Very high	86.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.1	-178	-171.4	0	0	0	0	110.3	Q68 Y69 L144 V148 I191 I193 I232 F235	Q68-V146 CarbonylContact C-O 3.57Å; Q68-V146 WeakPolarHBondContact CA-O 3.48Å; Y69-V146 PolarHBondContact N-O 2.93Å; Y69-V146 PolarHBondContact O-N 2.83Å; L144-V146 HydrophobicContact CD1-CG2 3.53Å; V146-V148 HydrophobicContact CG1-CG2 3.87Å; V146-I191 HydrophobicContact CG1-CG2 3.55Å; V146-I193 HydrophobicContact CG1-CG1 4.31Å; V146-I193 HydrophobicContact CG2-CG1 4.41Å; V146-I232 HydrophobicContact CG1-CD1 4.03Å; V146-F235 HydrophobicContact CB-CE1 4.48Å; V146-F235 HydrophobicContact CG1-CD1 4.11Å; V146-F235 HydrophobicContact CG1-CE1 4.49Å; V146-F235 HydrophobicContact CG1-CG 4.39Å
147	Y	98.8	Very high	85.8	Confident	1 Å²	1	52.2 Å²	52.2	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	103.5	-178.2	-60.2	-93.6	0	0	0	109.3	Q68 L70 N145 D180 S182 I191 V192 T194	Q68-Y147 HydrophobicContact CG-CD1 3.9Å; Q68-Y147 HydrophobicContact CG-CE1 4.17Å; L70-Y147 HydrophobicContact CD2-CE1 4.21Å; N145-Y147 HydrophobicContact CB-CE2 3.86Å; Y147-D180 WeakPolarHBondContact CE1-OD1 3.47Å; Y147-S182 VanDerWaalsContact CD1-OG 3.22Å; Y147-S182 WeakPolarHBondContact CD1-OG 3.46Å; Y147-I191 WeakPolarHBondContact O-CA 3.31Å; Y147-V192 PolarHBondContact N-O 2.83Å; Y147-V192 PolarHBondContact O-N 2.84Å; Y147-V192 VanDerWaalsContact O-N 3.1Å; Y147-T194 HydrophobicContact CE2-CG2 4.18Å
148	V	98.1	Very high	85.2	Confident	15 Å²	15	50.8 Å²	50.8	9%	0.091	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.2	-174.5	-172.7	0	0	0	0	110.5	V66 D67 Y69 V146 I191 F235	V66-V148 CarbonylContact C-O 3.53Å; V66-V148 WeakPolarHBondContact CA-O 3.27Å; V66-V148 WeakPolarHBondContact CG1-O 3.36Å; D67-V148 HydrophobicContact CB-CB 4.32Å; D67-V148 PolarHBondContact N-O 2.82Å; D67-V148 PolarHBondContact O-N 2.88Å; Y69-V148 HydrophobicContact CD2-CG2 4.32Å; Y69-V148 HydrophobicContact CE2-CG2 4.12Å; V146-V148 HydrophobicContact CG1-CG2 3.87Å; V148-I191 HydrophobicContact CG1-CD1 4.3Å; V148-I191 HydrophobicContact CG1-CG1 4.3Å; V148-I191 HydrophobicContact CG2-CD1 4.38Å; V148-I191 HydrophobicContact CG2-CG2 4.3Å; V148-F235 HydrophobicContact CG2-CB 4.06Å; V148-F235 HydrophobicContact CG2-CD1 4.18Å
149	P	95.8	Very high	85	Confident	6 Å²	6	49.2 Å²	49.2	4%	0.039	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	135.6	176.1	30.5	-33.4	0	0	0	110.1	K160 A185 V190	P149-K160 HydrophobicContact CG-CD 3.77Å; P149-A185 WeakPolarHBondContact CB-O 3.25Å; P149-V190 VanDerWaalsContact CD-O 3.27Å; P149-V190 WeakPolarHBondContact CD-O 3.35Å; P149-V190 WeakPolarHBondContact CG-O 3.21Å
150	T	90.6	Very high	84.9	Confident	40 Å²	40	48.2 Å²	48.2	25%	0.245	26%	0.263	C	S	.	.			trans	-88.9	-6	-174.3	65.4	0	0	0	0	114.2	P65 D67	P65-T150 WeakPolarHBondContact CG-OG1 3.3Å; P65-T150 WeakPolarHBondContact O-CB 3.49Å; P65-T150 VanDerWaalsContact O-CG2 3.25Å; P65-T150 WeakPolarHBondContact O-CG2 3.33Å; P65-T150 PolarHBondContact O-N 2.98Å; P65-T150 PolarHBondContact O-OG1 2.8Å; D67-T150 HydrophobicContact CB-CG2 4.33Å
151	E	76.1	Confident	84.9	Confident	114 Å²	114	45.9 Å²	45.9	53%	0.533	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-92.6	144.4	174.6	-64.3	-172.9	-179.5	0	0	111.3	G64 K160 N189	G64-E151 WeakPolarHBondContact CA-OE1 3.46Å; E151-K160 PolarHBondContact O-NZ 2.77Å; E151-N189 PolarHBondContact O-OD1 2.91Å
152	D	66.1	Low	85	Confident	114 Å²	114	45.9 Å²	45.9	61%	0.61	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-101.1	120.3	171.3	-70	-36.7	0	0	0	109.7	I154 K160	D152-I154 PolarHBondContact O-N 3.31Å; D152-K160 IonicContact OD1-NZ 3.54Å; D152-K160 PolarHBondContact OD1-NZ 3.26Å
153	D	62.1	Low	85	Confident	45 Å²	45	45.8 Å²	45.8	24%	0.241	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-65.7	121.7	173.5	-176.2	-5.1	0	0	0	109	R155 D156 S157 N189	D153-R155 PolarHBondContact O-N 2.88Å; D153-R155 VanDerWaalsContact OD1-CB 3.29Å; D153-R155 WeakPolarHBondContact OD1-CB 3.45Å; D153-R155 WeakPolarHBondContact OD1-CG 3.47Å; D153-R155 PolarHBondContact OD1-N 3.18Å; D153-D156 CarbonylContact O-C 3.55Å; D153-D156 PolarHBondContact O-N 3.36Å; D153-S157 PolarHBondContact O-N 3.09Å; D153-N189 HydrophobicContact CB-CB 4.41Å; D153-N189 WeakPolarHBondContact CB-ND2 3.41Å
154	I	59.1	Low	85	Confident	175 Å²	175	45 Å²	45	90%	0.897	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-17.2	176.3	-56.6	171.8	0	0	0	111.3	D152	D152-I154 PolarHBondContact O-N 3.31Å
155	R	58.2	Low	85	Confident	182 Å²	182	45.1 Å²	45.1	69%	0.687	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-23.7	176.4	-53.9	175.4	178.6	-156.6	-0.4	114.9	D153	D153-R155 PolarHBondContact O-N 2.88Å; D153-R155 VanDerWaalsContact OD1-CB 3.29Å; D153-R155 WeakPolarHBondContact OD1-CB 3.45Å; D153-R155 WeakPolarHBondContact OD1-CG 3.47Å; D153-R155 PolarHBondContact OD1-N 3.18Å
156	D	61.5	Low	85	Confident	46 Å²	46	45.1 Å²	45.1	25%	0.246	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-144	79.3	177.5	-170.7	-1.5	0	0	0	109.4	D153 G158 R241	D153-D156 CarbonylContact O-C 3.55Å; D153-D156 PolarHBondContact O-N 3.36Å; D156-G158 PolarHBondContact O-N 3.27Å; D156-G158 VanDerWaalsContact O-N 3.17Å; D156-G158 PolarHBondContact OD1-N 2.92Å; D156-R241 IonicContact OD1-NH2 2.81Å; D156-R241 IonicContact OD2-CZ 3.02Å; D156-R241 IonicContact OD2-NH1 3.69Å; D156-R241 PolarHBondContact OD2-NH1 2.88Å; D156-R241 IonicContact OD2-NH2 3.39Å; D156-R241 PolarHBondContact OD2-NH2 2.74Å
157	S	60.4	Low	84.9	Confident	108 Å²	108	45.2 Å²	45.2	76%	0.755	25%	0.248	S	C	*	.			trans	-80.2	25.2	173.2	74.6	0	0	0	0	112.5	D153	D153-S157 PolarHBondContact O-N 3.09Å
158	G	79.8	Confident	84.5	Confident	38 Å²	38	45.5 Å²	45.5	39%	0.392	25%	0.251	S	S	.	.	S	Bend	trans	-94.7	-172.3	178.8	0	0	0	0	0	112.9	D156 K160	D156-G158 PolarHBondContact O-N 3.27Å; D156-G158 VanDerWaalsContact O-N 3.17Å; D156-G158 PolarHBondContact OD1-N 2.92Å; G158-K160 PolarHBondContact O-N 3.33Å
159	A	91.8	Very high	83.8	Confident	46 Å²	46	44.9 Å²	44.9	38%	0.38	25%	0.248	S	C	.	.	S	Bend	trans	-66.1	123.1	169.9	0	0	0	0	0	109.5	G236 D238 R241	A159-G236 CarbonylContact C-O 3.19Å; A159-G236 VanDerWaalsContact CA-O 3.29Å; A159-G236 WeakPolarHBondContact CA-O 3.42Å; A159-D238 HydrophobicContact CB-CB 3.89Å; A159-R241 PolarHBondContact O-NH2 3Å
160	K	95.5	Very high	83.3	Confident	13 Å²	13	44.7 Å²	44.7	6%	0.057	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	148.6	-166.9	-55	-179.9	-165.9	-71.9	0	111.2	P149 E151 D152 G158 N189 I191 G236 G237 D238	P149-K160 HydrophobicContact CG-CD 3.77Å; E151-K160 PolarHBondContact O-NZ 2.77Å; D152-K160 IonicContact OD1-NZ 3.54Å; D152-K160 PolarHBondContact OD1-NZ 3.26Å; G158-K160 PolarHBondContact O-N 3.33Å; K160-N189 WeakPolarHBondContact CD-OD1 3.36Å; K160-N189 PolarHBondContact NZ-OD1 2.99Å; K160-I191 HydrophobicContact CB-CG1 4.3Å; K160-G236 PolarHBondContact N-O 2.88Å; K160-G237 CarbonylContact O-C 3.49Å; K160-G237 VanDerWaalsContact O-CA 3.26Å; K160-G237 WeakPolarHBondContact O-CA 3.39Å; K160-D238 PolarHBondContact O-N 3Å
161	P	97.9	Very high	83.5	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	155.9	171.3	-11.3	22.7	0	0	0	111.5	V190 I191 R241 K526	P161-V190 HydrophobicContact CB-CG1 4.04Å; P161-V190 HydrophobicContact CG-CG1 4.01Å; P161-V190 WeakPolarHBondContact O-CA 3.3Å; P161-I191 PolarHBondContact O-N 3.04Å; P161-R241 HydrophobicContact CB-CB 4.21Å; P161-K526 HydrophobicContact CB-CG 4.42Å; P161-K526 HydrophobicContact CG-CB 4.23Å; P161-K526 HydrophobicContact CG-CG 3.46Å; P161-K526 VanDerWaalsContact CG-CG 3.46Å
162	V	98.8	Very high	84.2	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.4	-175.8	-173.2	0	0	0	0	109.6	V164 I191 I193 V228 I232 R241 I242 T243	V162-V164 HydrophobicContact CG1-CG2 4.07Å; V162-I191 CarbonylContact C-O 3.48Å; V162-I191 WeakPolarHBondContact CA-O 3.49Å; V162-I193 HydrophobicContact CG1-CD1 3.73Å; V162-I193 HydrophobicContact CG1-CG1 4.18Å; V162-V228 HydrophobicContact CG1-CG1 4.05Å; V162-I232 HydrophobicContact CG1-CG1 4.08Å; V162-I232 HydrophobicContact CG2-CB 4.49Å; V162-I232 HydrophobicContact CG2-CG1 3.75Å; V162-I232 HydrophobicContact CG2-CG2 3.98Å; V162-R241 PolarHBondContact N-O 3.41Å; V162-I242 HydrophobicContact CB-CG1 4.09Å; V162-I242 HydrophobicContact CG2-CG1 4.47Å; V162-I242 WeakPolarHBondContact O-CA 3.35Å; V162-T243 PolarHBondContact O-N 2.76Å
163	M	98.9	Very high	85.5	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	112.5	177	-66	-170.1	69.8	0	0	109.9	V190 I191 V192 I193 T243 F245 I271 W521 T522 A525	M163-V190 HydrophobicContact CG-CG2 4.35Å; M163-V190 HydrophobicContact SD-CG2 4.06Å; M163-I191 PolarHBondContact N-O 2.85Å; M163-V192 CarbonylContact O-C 3.49Å; M163-V192 WeakPolarHBondContact O-CA 3.06Å; M163-I193 PolarHBondContact O-N 3.11Å; M163-T243 CarbonylContact C-O 3.57Å; M163-T243 WeakPolarHBondContact CA-O 3.33Å; M163-F245 HydrophobicContact CB-CD1 4.23Å; M163-F245 HydrophobicContact CB-CE1 3.71Å; M163-F245 HydrophobicContact CB-CZ 4.44Å; M163-F245 HydrophobicContact CE-CD1 4.23Å; M163-F245 HydrophobicContact CE-CD2 4.49Å; M163-F245 HydrophobicContact CE-CE1 4.18Å; M163-F245 HydrophobicContact CE-CE2 4.42Å; M163-F245 HydrophobicContact CE-CG 4.41Å; M163-F245 HydrophobicContact CE-CZ 4.26Å; M163-I271 HydrophobicContact CE-CD1 3.97Å; M163-W521 HydrophobicContact CE-CB 4.32Å; M163-T522 HydrophobicContact SD-CG2 4.05Å; M163-A525 HydrophobicContact CE-CB 4.36Å; M163-A525 HydrophobicContact CG-CB 3.64Å; M163-A525 HydrophobicContact SD-CB 3.73Å
164	V	98.9	Very high	87	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	111.2	-175.7	-175.1	0	0	0	0	109.7	V162 I193 L195 L225 V228 I242 T243 V244 F245	V162-V164 HydrophobicContact CG1-CG2 4.07Å; V164-I193 HydrophobicContact CG2-CB 4.34Å; V164-I193 HydrophobicContact CG2-CD1 4.28Å; V164-L195 HydrophobicContact CG1-CD2 3.73Å; V164-L225 HydrophobicContact CB-CD2 4.25Å; V164-L225 HydrophobicContact CG1-CD2 4.04Å; V164-L225 HydrophobicContact CG2-CD2 4.22Å; V164-V228 HydrophobicContact CG2-CG1 4.25Å; V164-I242 HydrophobicContact CG2-CG2 3.98Å; V164-T243 PolarHBondContact N-O 3.19Å; V164-V244 HydrophobicContact CB-CG1 4.44Å; V164-V244 CarbonylContact O-C 3.56Å; V164-V244 WeakPolarHBondContact O-CA 3.17Å; V164-V244 WeakPolarHBondContact O-CG1 3.4Å; V164-F245 WeakPolarHBondContact O-CD1 3.3Å; V164-F245 PolarHBondContact O-N 2.93Å
165	Y	98.9	Very high	88.8	Confident	4 Å²	4	24.5 Å²	24.5	2%	0.016	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.7	-179.6	-172.2	-111.3	0	0	0	112.2	H167 I179 I193 T194 F245 F491	Y165-H167 HydrophobicContact CE1-CB 4.03Å; Y165-I179 HydrophobicContact CD1-CG1 4.38Å; Y165-I179 HydrophobicContact CD1-CG2 4.32Å; Y165-I179 HydrophobicContact CE1-CB 4.43Å; Y165-I179 HydrophobicContact CE1-CG1 3.84Å; Y165-I179 HydrophobicContact CE1-CG2 4.42Å; Y165-I193 PolarHBondContact N-O 2.82Å; Y165-T194 HydrophobicContact CD1-CG2 4.49Å; Y165-F245 CarbonylContact C-O 3.55Å; Y165-F245 VanDerWaalsContact CA-O 3.3Å; Y165-F245 WeakPolarHBondContact CA-O 3.41Å; Y165-F245 HydrophobicContact CD2-CD1 4.25Å; Y165-F245 AromaticContact CD2-CD2 3.71Å; Y165-F245 HydrophobicContact CD2-CD2 3.71Å; Y165-F245 HydrophobicContact CD2-CE1 4.15Å; Y165-F245 AromaticContact CD2-CE2 3.63Å; Y165-F245 HydrophobicContact CD2-CE2 3.63Å; Y165-F245 HydrophobicContact CD2-CG 4.03Å; Y165-F245 AromaticContact CD2-CZ 3.85Å; Y165-F245 HydrophobicContact CD2-CZ 3.85Å; Y165-F245 WeakPolarHBondContact CD2-O 3.38Å; Y165-F245 HydrophobicContact CE2-CD2 4.29Å; Y165-F245 HydrophobicContact CE2-CE2 4.31Å; Y165-F245 HydrophobicContact CG-CE1 4.39Å; Y165-F245 HydrophobicContact CG-CE2 4.42Å; Y165-F245 HydrophobicContact CG-CZ 4.23Å; Y165-F491 HydrophobicContact CD1-CZ 4.14Å; Y165-F491 HydrophobicContact CD2-CE2 4.04Å; Y165-F491 AromaticContact CD2-CZ 3.6Å; Y165-F491 HydrophobicContact CD2-CZ 3.6Å; Y165-F491 HydrophobicContact CE1-CE2 4.48Å; Y165-F491 HydrophobicContact CE1-CZ 4.42Å; Y165-F491 AromaticContact CE2-CE2 3.84Å; Y165-F491 HydrophobicContact CE2-CE2 3.84Å; Y165-F491 AromaticContact CE2-CZ 3.9Å; Y165-F491 HydrophobicContact CE2-CZ 3.9Å; Y165-F491 HydrophobicContact CG-CE2 4.43Å; Y165-F491 AromaticContact CG-CZ 3.72Å; Y165-F491 HydrophobicContact CG-CZ 3.72Å
166	I	98.8	Very high	90.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	119.1	168.7	-56.8	179.5	0	0	0	107.5	L195 Y197 Q221 V244 F245 G246 C253 V254 L257	I166-L195 HydrophobicContact CG1-CD2 4.36Å; I166-Y197 HydrophobicContact CG2-CD1 4.34Å; I166-Y197 HydrophobicContact CG2-CE1 3.77Å; I166-Q221 HydrophobicContact CD1-CB 4.26Å; I166-Q221 HydrophobicContact CD1-CG 4.16Å; I166-Q221 HydrophobicContact CG2-CG 4.36Å; I166-V244 HydrophobicContact CD1-CG1 3.61Å; I166-V244 HydrophobicContact CG1-CG1 3.95Å; I166-F245 PolarHBondContact N-O 3.31Å; I166-G246 VanDerWaalsContact O-CA 3.3Å; I166-G246 WeakPolarHBondContact O-CA 3.44Å; I166-C253 HydrophobicContact CD1-CB 4.5Å; I166-C253 HydrophobicContact CG2-CB 3.82Å; I166-V254 HydrophobicContact CD1-CG2 4.05Å; I166-L257 HydrophobicContact CD1-CD1 3.41Å; I166-L257 VanDerWaalsContact CD1-CD1 3.41Å
167	H	97.1	Very high	92.2	Very high	1 Å²	1	14 Å²	14	1%	0.005	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-71	151.9	-179.2	66.3	81.3	0	0	0	112.1	Y165 T175 G176 M178 L195 Y197 G250	Y165-H167 HydrophobicContact CE1-CB 4.03Å; H167-T175 PolarHBondContact CE1-N 2.82Å; H167-G176 PolarHBondContact CD2-N 3.41Å; H167-M178 HydrophobicContact CB-CE 4.1Å; H167-L195 PolarHBondContact CD2-O 3.02Å; H167-L195 VanDerWaalsContact CD2-O 3.31Å; H167-Y197 AromaticContact CD2-CE1 3.82Å; H167-Y197 AromaticContact CE1-CE1 3.5Å; H167-Y197 VanDerWaalsContact CE1-CE1 3.5Å; H167-Y197 WeakPolarHBondContact CE1-CE1 3.16Å; H167-Y197 AromaticContact CE1-CZ 3.82Å; H167-Y197 AromaticContact ND1-CE1 3.95Å; H167-Y197 AromaticContact NE2-CD1 3.71Å; H167-Y197 AromaticContact NE2-CE1 3.43Å; H167-Y197 WeakPolarHBondContact NE2-CE1 3.07Å; H167-Y197 PolarHBondContact O-OH 2.72Å; H167-G250 WeakPolarHBondContact O-CA 3.31Å
168	G	89.1	Confident	93.8	Very high	7 Å²	7	9.3 Å²	9.3	7%	0.072	7%	0.066	C	C	.	.			trans	-84.5	-161.2	165.9	0	0	0	0	0	113
169	G	83.8	Confident	94.6	Very high	2 Å²	2	7.6 Å²	7.6	2%	0.021	5%	0.048	C	C	.	.	S	Bend	trans	139.6	-154.9	-162	0	0	0	0	0	107.3	L119 I249	L119-G169 VanDerWaalsContact CD2-C 3.45Å; G169-I249 VanDerWaalsContact O-CB 3.31Å; G169-I249 WeakPolarHBondContact O-CB 3.32Å; G169-I249 WeakPolarHBondContact O-CG1 3.18Å
170	S	85.6	Confident	94.8	Very high	3 Å²	3	9 Å²	9	2%	0.021	5%	0.049	C	C	.	.	S	Bend	trans	-113.1	27.6	169.4	65.8	0	0	0	0	111.9	M172 E173	S170-M172 PolarHBondContact O-N 3.09Å; S170-M172 VanDerWaalsContact O-N 3.13Å; S170-E173 WeakPolarHBondContact CA-OE1 3.02Å; S170-E173 WeakPolarHBondContact CB-OE1 3.39Å; S170-E173 PolarHBondContact N-OE1 3.35Å; S170-E173 PolarHBondContact OG-OE1 3.44Å; S170-E173 PolarHBondContact OG-OE2 3Å
171	Y	94.1	Very high	94.9	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	63	-16.5	-155.9	-58.4	-74	0	0	0	115.3	V199 G200 F204 I249 W281 A282 V332 P336	Y171-V199 CarbonylContact O-C 3.59Å; Y171-V199 WeakPolarHBondContact O-CA 3.12Å; Y171-V199 VanDerWaalsContact O-CB 3.23Å; Y171-V199 WeakPolarHBondContact O-CB 3.3Å; Y171-G200 PolarHBondContact O-N 2.95Å; Y171-F204 HydrophobicContact CD1-CE1 4.38Å; Y171-F204 AromaticContact CD1-CE2 3.98Å; Y171-F204 HydrophobicContact CD1-CE2 3.98Å; Y171-F204 AromaticContact CD1-CZ 3.77Å; Y171-F204 HydrophobicContact CD1-CZ 3.77Å; Y171-F204 HydrophobicContact CE1-CZ 4.43Å; Y171-F204 HydrophobicContact CG-CE2 4.33Å; Y171-F204 HydrophobicContact CG-CZ 4.49Å; Y171-I249 HydrophobicContact CD1-CG2 3.37Å; Y171-I249 HydrophobicContact CD2-CD1 4.23Å; Y171-I249 HydrophobicContact CD2-CG2 3.91Å; Y171-I249 HydrophobicContact CE1-CG2 3.32Å; Y171-I249 HydrophobicContact CE2-CD1 3.78Å; Y171-I249 HydrophobicContact CE2-CG2 3.89Å; Y171-I249 HydrophobicContact CG-CG2 3.67Å; Y171-W281 WeakPolarHBondContact CE2-O 3.27Å; Y171-A282 WeakPolarHBondContact CE2-O 3.31Å; Y171-A282 PolarHBondContact OH-O 2.94Å; Y171-V332 HydrophobicContact CD2-CG1 4.17Å; Y171-V332 HydrophobicContact CD2-CG2 4.38Å; Y171-P336 HydrophobicContact CD1-CG 4.35Å; Y171-P336 HydrophobicContact CE1-CG 3.59Å; Y171-P336 VanDerWaalsContact CE2-CD 3.42Å; Y171-P336 HydrophobicContact CE2-CG 4.29Å; Y171-P336 WeakPolarHBondContact OH-CG 3.33Å
172	M	92.8	Very high	94.9	Very high	57 Å²	57	8.4 Å²	8.4	28%	0.281	5%	0.046	S	C	.	.	S	Bend	trans	-85.6	-25.5	-176.1	-60.6	-66.2	-64.9	0	0	114.4	Q108 S170 G200 F334	Q108-M172 WeakPolarHBondContact CB-O 3.38Å; S170-M172 PolarHBondContact O-N 3.09Å; S170-M172 VanDerWaalsContact O-N 3.13Å; M172-G200 WeakPolarHBondContact SD-CA 3.42Å; M172-F334 HydrophobicContact CE-CD2 4.28Å; M172-F334 HydrophobicContact SD-CB 3.99Å; M172-F334 HydrophobicContact SD-CD2 4.16Å
173	E	92.1	Very high	94.9	Very high	4 Å²	4	8.9 Å²	8.9	2%	0.019	5%	0.049	C	C	.	.	S	Bend	trans	-143.9	174.1	-176.9	65	-70.4	115	0	0	112.6	Q108 I110 V114 F123 S170	Q108-E173 HydrophobicContact CB-CB 4.16Å; Q108-E173 HydrophobicContact CG-CB 4.47Å; I110-E173 HydrophobicContact CG2-CB 3.86Å; I110-E173 HydrophobicContact CG2-CG 4.08Å; V114-E173 HydrophobicContact CG1-CG 4.49Å; V114-E173 VanDerWaalsContact CG1-OE2 3.28Å; V114-E173 WeakPolarHBondContact CG1-OE2 3.41Å; F123-E173 HydrophobicContact CE1-CG 4.13Å; F123-E173 HydrophobicContact CZ-CG 3.75Å; S170-E173 WeakPolarHBondContact CA-OE1 3.02Å; S170-E173 WeakPolarHBondContact CB-OE1 3.39Å; S170-E173 PolarHBondContact N-OE1 3.35Å; S170-E173 PolarHBondContact OG-OE1 3.44Å; S170-E173 PolarHBondContact OG-OE2 3Å
174	G	93.6	Very high	94.9	Very high	3 Å²	3	8.9 Å²	8.9	3%	0.031	5%	0.049	C	C	.	.			trans	119	169.5	-178.7	0	0	0	0	0	113.3	Q108	Q108-G174 PolarHBondContact NE2-O 3.01Å; Q108-G174 PolarHBondContact OE1-O 2.99Å
175	T	96.4	Very high	94.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.049	C	C	.	.			trans	-158.3	150.7	173.8	172.4	0	0	0	0	110.7	V105 I134 H167 N177 M178 N196	V105-T175 HydrophobicContact CG1-CG2 4.04Å; V105-T175 WeakPolarHBondContact CG1-OG1 3.33Å; I134-T175 HydrophobicContact CG1-CG2 4.44Å; H167-T175 PolarHBondContact CE1-N 2.82Å; T175-N177 HydrophobicContact CG2-CB 4.1Å; T175-N177 PolarHBondContact O-N 3.02Å; T175-N177 VanDerWaalsContact OG1-CB 3.3Å; T175-N177 WeakPolarHBondContact OG1-CB 3.34Å; T175-N177 VanDerWaalsContact OG1-CG 3.26Å; T175-N177 PolarHBondContact OG1-N 3Å; T175-N177 PolarHBondContact OG1-ND2 2.83Å; T175-M178 HydrophobicContact CG2-CB 4.14Å; T175-M178 HydrophobicContact CG2-CG 4.24Å; T175-M178 HydrophobicContact CG2-SD 4.04Å; T175-M178 WeakPolarHBondContact O-CE 3.21Å; T175-M178 WeakPolarHBondContact O-CG 3.15Å; T175-N196 WeakPolarHBondContact CA-OD1 3.3Å; T175-N196 WeakPolarHBondContact CB-OD1 3.29Å; T175-N196 PolarHBondContact OG1-OD1 3.47Å
176	G	96.3	Very high	94.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-67.1	-16.4	167.3	0	0	0	0	0	113.5	H167 M178 T194 N196	H167-G176 PolarHBondContact CD2-N 3.41Å; G176-M178 VanDerWaalsContact C-N 3.34Å; G176-M178 PolarHBondContact O-N 3.48Å; G176-T194 VanDerWaalsContact O-CB 3.26Å; G176-T194 WeakPolarHBondContact O-CB 3.29Å; G176-T194 PolarHBondContact O-OG1 2.95Å; G176-N196 PolarHBondContact N-OD1 2.87Å
177	N	95.8	Very high	94.6	Very high	7 Å²	7	11.6 Å²	11.6	4%	0.037	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-73.1	-22.3	-176.1	-60.2	-16.1	0	0	0	113.4	F102 P103 N145 T175 I179	F102-N177 HydrophobicContact CB-CB 4.43Å; F102-N177 HydrophobicContact CD1-CB 3.79Å; F102-N177 VanDerWaalsContact CD1-CG 3.48Å; F102-N177 VanDerWaalsContact CD1-OD1 3.23Å; F102-N177 WeakPolarHBondContact CD1-OD1 3.3Å; F102-N177 HydrophobicContact CD2-CB 4.35Å; F102-N177 HydrophobicContact CE1-CB 4.05Å; F102-N177 HydrophobicContact CG-CB 3.95Å; F102-N177 HydrophobicContact CZ-CB 4.44Å; P103-N177 PolarHBondContact O-ND2 2.84Å; N145-N177 PolarHBondContact ND2-OD1 2.87Å; T175-N177 HydrophobicContact CG2-CB 4.1Å; T175-N177 PolarHBondContact O-N 3.02Å; T175-N177 VanDerWaalsContact OG1-CB 3.3Å; T175-N177 WeakPolarHBondContact OG1-CB 3.34Å; T175-N177 VanDerWaalsContact OG1-CG 3.26Å; T175-N177 PolarHBondContact OG1-N 3Å; T175-N177 PolarHBondContact OG1-ND2 2.83Å; N177-I179 PolarHBondContact O-N 3.43Å
178	M	94.7	Very high	94.5	Very high	9 Å²	9	11.6 Å²	11.6	4%	0.044	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-80.3	0.5	-178.8	72.1	-159.5	172.9	0	0	113.8	W122 F123 Y133 H167 T175 G176 L501	W122-M178 HydrophobicContact CH2-CE 4.19Å; W122-M178 HydrophobicContact CH2-SD 4.44Å; F123-M178 HydrophobicContact CD2-CE 4.37Å; F123-M178 HydrophobicContact CD2-SD 4.2Å; F123-M178 HydrophobicContact CE2-CE 4.2Å; F123-M178 HydrophobicContact CE2-SD 3.97Å; Y133-M178 HydrophobicContact CD1-CB 4.01Å; Y133-M178 HydrophobicContact CD2-CB 4.34Å; Y133-M178 HydrophobicContact CE1-CB 4.46Å; Y133-M178 HydrophobicContact CG-CB 3.94Å; H167-M178 HydrophobicContact CB-CE 4.1Å; T175-M178 HydrophobicContact CG2-CB 4.14Å; T175-M178 HydrophobicContact CG2-CG 4.24Å; T175-M178 HydrophobicContact CG2-SD 4.04Å; T175-M178 WeakPolarHBondContact O-CE 3.21Å; T175-M178 WeakPolarHBondContact O-CG 3.15Å; G176-M178 VanDerWaalsContact C-N 3.34Å; G176-M178 PolarHBondContact O-N 3.48Å; M178-L501 HydrophobicContact CB-CD2 4.03Å; M178-L501 WeakPolarHBondContact O-CD2 3.41Å
179	I	95.4	Very high	94.9	Very high	2 Å²	2	12 Å²	12	1%	0.01	6%	0.063	C	C	.	.	S	Bend	trans	-124.5	115	-178	-62.1	-63.2	0	0	0	109.3	W122 Y165 N177 G181 T194 V487 F491 F502	W122-I179 HydrophobicContact CH2-CD1 4.49Å; Y165-I179 HydrophobicContact CD1-CG1 4.38Å; Y165-I179 HydrophobicContact CD1-CG2 4.32Å; Y165-I179 HydrophobicContact CE1-CB 4.43Å; Y165-I179 HydrophobicContact CE1-CG1 3.84Å; Y165-I179 HydrophobicContact CE1-CG2 4.42Å; N177-I179 PolarHBondContact O-N 3.43Å; I179-G181 PolarHBondContact O-N 2.91Å; I179-T194 HydrophobicContact CB-CG2 4.39Å; I179-T194 HydrophobicContact CG2-CG2 4.3Å; I179-V487 HydrophobicContact CD1-CG1 3.99Å; I179-F491 HydrophobicContact CG2-CD1 3.47Å; I179-F491 VanDerWaalsContact CG2-CD1 3.47Å; I179-F491 HydrophobicContact CG2-CD2 3.78Å; I179-F491 HydrophobicContact CG2-CE1 3.35Å; I179-F491 HydrophobicContact CG2-CE2 3.66Å; I179-F491 HydrophobicContact CG2-CG 3.69Å; I179-F491 HydrophobicContact CG2-CZ 3.45Å; I179-F491 VanDerWaalsContact CG2-CZ 3.45Å; I179-F502 HydrophobicContact CD1-CZ 4.33Å
180	D	96.8	Very high	95.5	Very high	77 Å²	77	12 Å²	12	41%	0.412	6%	0.062	S	C	.	.			trans	-84.3	112.3	175.3	-173.6	0.2	0	0	0	110.8	Y147 S182	Y147-D180 WeakPolarHBondContact CE1-OD1 3.47Å; D180-S182 VanDerWaalsContact C-N 3.25Å; D180-S182 PolarHBondContact O-N 2.87Å; D180-S182 WeakPolarHBondContact OD1-CB 3.29Å; D180-S182 PolarHBondContact OD1-N 3.31Å; D180-S182 PolarHBondContact OD1-OG 3.22Å
181	G	97.9	Very high	96.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.			trans	-73.9	-9.2	176.5	0	0	0	0	0	114.8	I179 I183 L184 A185	I179-G181 PolarHBondContact O-N 2.91Å; G181-I183 PolarHBondContact O-N 2.82Å; G181-L184 PolarHBondContact O-N 2.66Å; G181-A185 VanDerWaalsContact O-CB 3.3Å; G181-A185 WeakPolarHBondContact O-CB 3.16Å; G181-A185 PolarHBondContact O-N 2.95Å
182	S	97.9	Very high	96.4	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.007	6%	0.061	C	C	.	.	H	α-helix	trans	-64.1	-40.4	-165.7	-53.3	0	0	0	0	114.2	V66 Q68 Y147 D180 A185 S186	V66-S182 WeakPolarHBondContact CG2-O 3.38Å; Q68-S182 PolarHBondContact NE2-OG 3.15Å; Y147-S182 VanDerWaalsContact CD1-OG 3.22Å; Y147-S182 WeakPolarHBondContact CD1-OG 3.46Å; D180-S182 VanDerWaalsContact C-N 3.25Å; D180-S182 PolarHBondContact O-N 2.87Å; D180-S182 WeakPolarHBondContact OD1-CB 3.29Å; D180-S182 PolarHBondContact OD1-N 3.31Å; D180-S182 PolarHBondContact OD1-OG 3.22Å; S182-A185 PolarHBondContact O-N 2.8Å; S182-S186 WeakPolarHBondContact O-CB 3.44Å; S182-S186 PolarHBondContact O-N 2.93Å
183	I	97.9	Very high	96.7	Very high	9 Å²	9	9.1 Å²	9.1	5%	0.046	5%	0.048	C	C	.	.	H	α-helix	trans	-69	-47	-178.8	-54	166.5	0	0	0	109.9	L63 G181 A185 S186 Y187 M495 V496 M518	L63-I183 HydrophobicContact CD1-CG2 3.92Å; G181-I183 PolarHBondContact O-N 2.82Å; I183-A185 VanDerWaalsContact C-N 3.33Å; I183-A185 PolarHBondContact O-N 3.37Å; I183-S186 PolarHBondContact O-N 2.73Å; I183-Y187 WeakPolarHBondContact O-CB 3.34Å; I183-Y187 PolarHBondContact O-N 3.25Å; I183-M495 HydrophobicContact CG2-CB 4.38Å; I183-M495 HydrophobicContact CG2-SD 4.11Å; I183-V496 HydrophobicContact CD1-CB 4.35Å; I183-V496 HydrophobicContact CD1-CG1 3.58Å; I183-V496 HydrophobicContact CD1-CG2 3.8Å; I183-V496 HydrophobicContact CG1-CG1 4.15Å; I183-M518 HydrophobicContact CG2-CE 4.26Å; I183-M518 HydrophobicContact CG2-SD 4.47Å
184	L	98.4	Very high	97	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-61.3	-40.1	176.1	175.9	61.5	0	0	0	111.8	G181 G188 V192 F245 F491 M518 T522	G181-L184 PolarHBondContact O-N 2.66Å; L184-G188 WeakPolarHBondContact O-CA 3.37Å; L184-G188 PolarHBondContact O-N 2.55Å; L184-V192 HydrophobicContact CB-CG2 4.07Å; L184-V192 HydrophobicContact CD2-CG1 4.48Å; L184-V192 HydrophobicContact CD2-CG2 3.87Å; L184-V192 HydrophobicContact CG-CG2 3.74Å; L184-F245 HydrophobicContact CD2-CE2 4.34Å; L184-F245 HydrophobicContact CD2-CZ 3.91Å; L184-F491 HydrophobicContact CD2-CD1 4.13Å; L184-F491 HydrophobicContact CD2-CE1 3.99Å; L184-M518 HydrophobicContact CB-SD 4.19Å; L184-M518 HydrophobicContact CD1-CB 4.16Å; L184-M518 HydrophobicContact CD1-CG 3.88Å; L184-M518 HydrophobicContact CD1-SD 4.01Å; L184-T522 HydrophobicContact CD1-CG2 3.56Å
185	A	98.1	Very high	97.2	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-62.7	-51.4	176.1	0	0	0	0	0	111.9	P149 G181 S182 I183 N189 V190 V192	P149-A185 WeakPolarHBondContact CB-O 3.25Å; G181-A185 VanDerWaalsContact O-CB 3.3Å; G181-A185 WeakPolarHBondContact O-CB 3.16Å; G181-A185 PolarHBondContact O-N 2.95Å; S182-A185 PolarHBondContact O-N 2.8Å; I183-A185 VanDerWaalsContact C-N 3.33Å; I183-A185 PolarHBondContact O-N 3.37Å; A185-N189 WeakPolarHBondContact O-CA 3.32Å; A185-N189 PolarHBondContact O-N 3.07Å; A185-V190 WeakPolarHBondContact CA-O 3.1Å; A185-V190 WeakPolarHBondContact CB-O 3.4Å; A185-V190 PolarHBondContact O-N 2.97Å; A185-V192 HydrophobicContact CB-CB 4.32Å; A185-V192 HydrophobicContact CB-CG2 3.88Å
186	S	96.7	Very high	97.3	Very high	18 Å²	18	8.9 Å²	8.9	13%	0.126	5%	0.046	C	C	.	.	H	α-helix	trans	-66.5	-52.5	-178.6	-175.3	0	0	0	0	112.3	G64 S182 I183 G188 N189	G64-S186 PolarHBondContact N-OG 2.97Å; G64-S186 PolarHBondContact O-OG 2.84Å; S182-S186 WeakPolarHBondContact O-CB 3.44Å; S182-S186 PolarHBondContact O-N 2.93Å; I183-S186 PolarHBondContact O-N 2.73Å; S186-G188 VanDerWaalsContact C-N 3.31Å; S186-G188 PolarHBondContact O-N 2.82Å; S186-N189 PolarHBondContact O-N 3.17Å
187	Y	96	Very high	97.4	Very high	43 Å²	43	9 Å²	9	17%	0.169	5%	0.046	C	C	.	.	H	α-helix	trans	-61.2	-40.4	177.1	-178.8	-84.8	0	0	0	112.1	L63 I183 M495 A515 M518 T519 I541	L63-Y187 HydrophobicContact CD2-CD2 4.28Å; I183-Y187 WeakPolarHBondContact O-CB 3.34Å; I183-Y187 PolarHBondContact O-N 3.25Å; Y187-M495 HydrophobicContact CD2-CE 3.73Å; Y187-M495 HydrophobicContact CD2-SD 3.99Å; Y187-M495 HydrophobicContact CE2-CE 3.72Å; Y187-A515 HydrophobicContact CE2-CB 4.05Å; Y187-A515 PolarHBondContact OH-O 3.45Å; Y187-M518 HydrophobicContact CD1-CB 3.62Å; Y187-M518 HydrophobicContact CD1-CE 3.88Å; Y187-M518 HydrophobicContact CD1-SD 4.33Å; Y187-M518 HydrophobicContact CD2-CE 4.02Å; Y187-M518 HydrophobicContact CE1-CB 3.77Å; Y187-M518 HydrophobicContact CE1-CE 4.44Å; Y187-M518 HydrophobicContact CG-CE 3.67Å; Y187-M518 HydrophobicContact CG-SD 4.41Å; Y187-T519 PolarHBondContact OH-OG1 3.49Å; Y187-I541 HydrophobicContact CD2-CG1 4.04Å; Y187-I541 HydrophobicContact CE2-CG1 3.88Å; Y187-I541 HydrophobicContact CE2-CG2 3.91Å
188	G	96	Very high	97.6	Very high	1 Å²	1	9 Å²	9	1%	0.01	5%	0.046	C	C	.	.	H	α-helix	trans	-78.6	-23.2	-176.1	0	0	0	0	0	115	L184 S186 V190 K526	L184-G188 WeakPolarHBondContact O-CA 3.37Å; L184-G188 PolarHBondContact O-N 2.55Å; S186-G188 VanDerWaalsContact C-N 3.31Å; S186-G188 PolarHBondContact O-N 2.82Å; G188-V190 VanDerWaalsContact C-N 3.27Å; G188-K526 WeakPolarHBondContact O-CE 3.49Å; G188-K526 PolarHBondContact O-NZ 2.85Å
189	N	95.9	Very high	97.7	Very high	17 Å²	17	8.6 Å²	8.6	9%	0.091	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	54.6	-156.2	-177.8	44.9	0	0	0	111.2	E151 D153 K160 A185 S186	E151-N189 PolarHBondContact O-OD1 2.91Å; D153-N189 HydrophobicContact CB-CB 4.41Å; D153-N189 WeakPolarHBondContact CB-ND2 3.41Å; K160-N189 WeakPolarHBondContact CD-OD1 3.36Å; K160-N189 PolarHBondContact NZ-OD1 2.99Å; A185-N189 WeakPolarHBondContact O-CA 3.32Å; A185-N189 PolarHBondContact O-N 3.07Å; S186-N189 PolarHBondContact O-N 3.17Å
190	V	97.8	Very high	97.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.045	C	C	.	.	S	Bend	trans	-130.8	152.3	174.3	-61.7	0	0	0	0	108.9	P149 P161 M163 A185 G188 V192 T522	P149-V190 VanDerWaalsContact CD-O 3.27Å; P149-V190 WeakPolarHBondContact CD-O 3.35Å; P149-V190 WeakPolarHBondContact CG-O 3.21Å; P161-V190 HydrophobicContact CB-CG1 4.04Å; P161-V190 HydrophobicContact CG-CG1 4.01Å; P161-V190 WeakPolarHBondContact O-CA 3.3Å; M163-V190 HydrophobicContact CG-CG2 4.35Å; M163-V190 HydrophobicContact SD-CG2 4.06Å; A185-V190 WeakPolarHBondContact CA-O 3.1Å; A185-V190 WeakPolarHBondContact CB-O 3.4Å; A185-V190 PolarHBondContact O-N 2.97Å; G188-V190 VanDerWaalsContact C-N 3.27Å; V190-V192 HydrophobicContact CG2-CG2 4.03Å; V190-T522 HydrophobicContact CG1-CG2 4.23Å; V190-T522 HydrophobicContact CG2-CG2 4.03Å
191	I	98.7	Very high	97.7	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	123.2	168.1	-59.4	-179.5	0	0	0	107.8	V146 Y147 V148 K160 P161 V162 M163 I193 I232 F235	V146-I191 HydrophobicContact CG1-CG2 3.55Å; Y147-I191 WeakPolarHBondContact O-CA 3.31Å; V148-I191 HydrophobicContact CG1-CD1 4.3Å; V148-I191 HydrophobicContact CG1-CG1 4.3Å; V148-I191 HydrophobicContact CG2-CD1 4.38Å; V148-I191 HydrophobicContact CG2-CG2 4.3Å; K160-I191 HydrophobicContact CB-CG1 4.3Å; P161-I191 PolarHBondContact O-N 3.04Å; V162-I191 CarbonylContact C-O 3.48Å; V162-I191 WeakPolarHBondContact CA-O 3.49Å; M163-I191 PolarHBondContact N-O 2.85Å; I191-I193 HydrophobicContact CG2-CG1 4.3Å; I191-I232 HydrophobicContact CD1-CD1 4.49Å; I191-I232 HydrophobicContact CD1-CG1 4.37Å; I191-I232 HydrophobicContact CG2-CD1 4.08Å; I191-F235 HydrophobicContact CD1-CB 4.15Å; I191-F235 WeakPolarHBondContact CD1-O 3.34Å
192	V	98.9	Very high	97.8	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	141	173.2	-178.1	0	0	0	0	108.9	Y147 M163 L184 A185 V190 F491	Y147-V192 PolarHBondContact N-O 2.83Å; Y147-V192 PolarHBondContact O-N 2.84Å; Y147-V192 VanDerWaalsContact O-N 3.1Å; M163-V192 CarbonylContact O-C 3.49Å; M163-V192 WeakPolarHBondContact O-CA 3.06Å; L184-V192 HydrophobicContact CB-CG2 4.07Å; L184-V192 HydrophobicContact CD2-CG1 4.48Å; L184-V192 HydrophobicContact CD2-CG2 3.87Å; L184-V192 HydrophobicContact CG-CG2 3.74Å; A185-V192 HydrophobicContact CB-CB 4.32Å; A185-V192 HydrophobicContact CB-CG2 3.88Å; V190-V192 HydrophobicContact CG2-CG2 4.03Å; V192-F491 HydrophobicContact CG1-CE1 4.46Å
193	I	98.9	Very high	97.8	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	134.1	175.7	-53.9	-176	0	0	0	108.5	L144 N145 V146 V162 M163 V164 Y165 I191 V228 I232	L144-I193 HydrophobicContact CB-CG2 4.16Å; L144-I193 HydrophobicContact CD1-CG2 4.15Å; L144-I193 HydrophobicContact CD2-CG2 4.41Å; L144-I193 HydrophobicContact CG-CG2 4.48Å; N145-I193 VanDerWaalsContact O-CA 3.25Å; N145-I193 WeakPolarHBondContact O-CA 3.3Å; V146-I193 HydrophobicContact CG1-CG1 4.31Å; V146-I193 HydrophobicContact CG2-CG1 4.41Å; V162-I193 HydrophobicContact CG1-CD1 3.73Å; V162-I193 HydrophobicContact CG1-CG1 4.18Å; M163-I193 PolarHBondContact O-N 3.11Å; V164-I193 HydrophobicContact CG2-CB 4.34Å; V164-I193 HydrophobicContact CG2-CD1 4.28Å; Y165-I193 PolarHBondContact N-O 2.82Å; I191-I193 HydrophobicContact CG2-CG1 4.3Å; I193-V228 HydrophobicContact CD1-CB 4.34Å; I193-V228 HydrophobicContact CD1-CG1 3.76Å; I193-V228 HydrophobicContact CD1-CG2 3.53Å; I193-I232 HydrophobicContact CD1-CD1 3.64Å; I193-I232 HydrophobicContact CD1-CG1 4.31Å
194	T	98.8	Very high	97.8	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	148.1	164.7	72.1	0	0	0	0	109.1	L144 N145 Y147 Y165 G176 I179	L144-T194 CarbonylContact C-O 3.53Å; L144-T194 VanDerWaalsContact CA-O 3.29Å; L144-T194 WeakPolarHBondContact CA-O 3.44Å; L144-T194 WeakPolarHBondContact CB-O 3.33Å; N145-T194 PolarHBondContact N-O 3.39Å; N145-T194 PolarHBondContact ND2-OG1 3.26Å; N145-T194 PolarHBondContact O-N 3.02Å; Y147-T194 HydrophobicContact CE2-CG2 4.18Å; Y165-T194 HydrophobicContact CD1-CG2 4.49Å; G176-T194 VanDerWaalsContact O-CB 3.26Å; G176-T194 WeakPolarHBondContact O-CB 3.29Å; G176-T194 PolarHBondContact O-OG1 2.95Å; I179-T194 HydrophobicContact CB-CG2 4.39Å; I179-T194 HydrophobicContact CG2-CG2 4.3Å
195	L	98.3	Very high	97.8	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	150.9	-176.5	69.6	96.7	0	0	0	112.3	L144 V164 I166 H167 Y197 Q221 A224	L144-L195 HydrophobicContact CB-CB 3.83Å; V164-L195 HydrophobicContact CG1-CD2 3.73Å; I166-L195 HydrophobicContact CG1-CD2 4.36Å; H167-L195 PolarHBondContact CD2-O 3.02Å; H167-L195 VanDerWaalsContact CD2-O 3.31Å; L195-Y197 HydrophobicContact CD1-CD1 3.95Å; L195-Q221 HydrophobicContact CD1-CG 4.12Å; L195-A224 HydrophobicContact CD2-CB 3.94Å
196	N	98.3	Very high	97.8	Very high	3 Å²	3	5.2 Å²	5.2	2%	0.016	3%	0.027	C	C	.	.			trans	-97.5	139.2	165.7	-69	-28	0	0	0	109.1	Y74 C141 Y143 T175 G176	Y74-N196 WeakPolarHBondContact CE1-O 3.48Å; Y74-N196 PolarHBondContact OH-O 2.79Å; C141-N196 VanDerWaalsContact O-CB 3.32Å; C141-N196 WeakPolarHBondContact O-CB 3.47Å; Y143-N196 PolarHBondContact O-N 2.87Å; T175-N196 WeakPolarHBondContact CA-OD1 3.3Å; T175-N196 WeakPolarHBondContact CB-OD1 3.29Å; T175-N196 PolarHBondContact OG1-OD1 3.47Å; G176-N196 PolarHBondContact N-OD1 2.87Å
197	Y	98.7	Very high	97.9	Very high	1 Å²	1	4.7 Å²	4.7	0%	0.004	2%	0.023	C	C	.	.			trans	-130.6	158.1	172.2	61.3	-87.9	0	0	0	109.3	C106 I166 H167 L195 V199 F204 Q221	C106-Y197 VanDerWaalsContact SG-C 3.59Å; C106-Y197 PolarHBondContact SG-O 2.9Å; I166-Y197 HydrophobicContact CG2-CD1 4.34Å; I166-Y197 HydrophobicContact CG2-CE1 3.77Å; H167-Y197 AromaticContact CD2-CE1 3.82Å; H167-Y197 AromaticContact CE1-CE1 3.5Å; H167-Y197 VanDerWaalsContact CE1-CE1 3.5Å; H167-Y197 WeakPolarHBondContact CE1-CE1 3.16Å; H167-Y197 AromaticContact CE1-CZ 3.82Å; H167-Y197 AromaticContact ND1-CE1 3.95Å; H167-Y197 AromaticContact NE2-CD1 3.71Å; H167-Y197 AromaticContact NE2-CE1 3.43Å; H167-Y197 WeakPolarHBondContact NE2-CE1 3.07Å; H167-Y197 PolarHBondContact O-OH 2.72Å; L195-Y197 HydrophobicContact CD1-CD1 3.95Å; Y197-V199 HydrophobicContact CE2-CG1 4.17Å; Y197-V199 PolarHBondContact O-N 2.75Å; Y197-F204 HydrophobicContact CD2-CZ 4.43Å; Y197-F204 HydrophobicContact CE2-CE2 4.25Å; Y197-F204 HydrophobicContact CE2-CZ 4.11Å; Y197-Q221 HydrophobicContact CD1-CG 3.99Å; Y197-Q221 HydrophobicContact CG-CG 3.92Å
198	R	98.6	Very high	98	Very high	7 Å²	7	5.3 Å²	5.3	3%	0.026	4%	0.043	C	C	.	.			trans	-60.5	130.4	178.8	-77.4	170.6	-77.5	178.2	-4.3	110.8	P78 L85 L142 G203 G217 D220	P78-R198 HydrophobicContact CG-CG 4.26Å; L85-R198 PolarHBondContact O-NH1 3.38Å; L85-R198 PolarHBondContact O-NH2 2.87Å; L85-R198 VanDerWaalsContact O-NH2 3.1Å; L142-R198 HydrophobicContact CD2-CG 4.16Å; R198-G203 VanDerWaalsContact CB-CA 3.49Å; R198-G203 WeakPolarHBondContact O-CA 3.1Å; R198-G217 WeakPolarHBondContact O-CA 3.32Å; R198-D220 WeakPolarHBondContact CB-OD2 3.34Å; R198-D220 VanDerWaalsContact CG-OD2 3.28Å; R198-D220 WeakPolarHBondContact CG-OD2 3.48Å; R198-D220 IonicContact CZ-OD1 3.36Å; R198-D220 IonicContact CZ-OD2 3.85Å; R198-D220 PolarHBondContact N-OD2 3.31Å; R198-D220 IonicContact NE-OD1 3.15Å; R198-D220 PolarHBondContact NE-OD1 3.26Å; R198-D220 IonicContact NE-OD2 2.71Å; R198-D220 PolarHBondContact NE-OD2 2.99Å; R198-D220 IonicContact NH2-OD1 2.73Å; R198-D220 PolarHBondContact NH2-OD1 3.28Å; R198-D220 IonicContact NH2-OD2 2.72Å
199	V	97.3	Very high	98	Very high	2 Å²	2	7.9 Å²	7.9	1%	0.012	6%	0.056	C	C	.	.			trans	-107.6	161.3	-179.6	-71.1	0	0	0	0	111.9	C106 Q108 Y171 Y197 L202 G203	C106-V199 HydrophobicContact CB-CG2 3.98Å; Q108-V199 HydrophobicContact CB-CG2 4.02Å; Y171-V199 CarbonylContact O-C 3.59Å; Y171-V199 WeakPolarHBondContact O-CA 3.12Å; Y171-V199 VanDerWaalsContact O-CB 3.23Å; Y171-V199 WeakPolarHBondContact O-CB 3.3Å; Y197-V199 HydrophobicContact CE2-CG1 4.17Å; Y197-V199 PolarHBondContact O-N 2.75Å; V199-L202 PolarHBondContact O-N 2.87Å; V199-G203 PolarHBondContact O-N 3.14Å
200	G	95.7	Very high	98.1	Very high	3 Å²	3	14.2 Å²	14.2	3%	0.031	9%	0.085	C	C	.	.	H	α-helix	trans	50.1	-134.9	176.3	0	0	0	0	0	113.9	Y171 M172 L202 G203 F204	Y171-G200 PolarHBondContact O-N 2.95Å; M172-G200 WeakPolarHBondContact SD-CA 3.42Å; G200-L202 PolarHBondContact O-N 3.02Å; G200-G203 PolarHBondContact O-N 3.45Å; G200-G203 VanDerWaalsContact O-N 3.11Å; G200-F204 PolarHBondContact O-N 3.41Å
201	V	97.6	Very high	98.1	Very high	4 Å²	4	15 Å²	15	2%	0.024	9%	0.092	C	C	.	.	H	α-helix	trans	-48	-46.7	178.8	176.8	0	0	0	0	112.1	F84 G203 L205 L294 L320 F334	F84-V201 HydrophobicContact CE1-CG1 4.2Å; F84-V201 WeakPolarHBondContact CE1-O 3.44Å; F84-V201 HydrophobicContact CZ-CG1 4.39Å; V201-G203 VanDerWaalsContact C-N 3.32Å; V201-G203 PolarHBondContact O-N 3.49Å; V201-L205 HydrophobicContact CG1-CB 4.36Å; V201-L205 HydrophobicContact CG1-CD1 3.97Å; V201-L205 WeakPolarHBondContact O-CB 3.13Å; V201-L205 PolarHBondContact O-N 2.89Å; V201-L294 HydrophobicContact CB-CD2 4.38Å; V201-L294 HydrophobicContact CG1-CD2 3.52Å; V201-L294 HydrophobicContact CG2-CD2 3.89Å; V201-L320 HydrophobicContact CG1-CB 4.25Å; V201-F334 HydrophobicContact CG2-CD2 3.83Å; V201-F334 HydrophobicContact CG2-CE2 3.71Å; V201-F334 HydrophobicContact CG2-CG 4.29Å; V201-F334 HydrophobicContact CG2-CZ 4.08Å
202	L	98.4	Very high	98.1	Very high	6 Å²	6	15.1 Å²	15.1	3%	0.031	9%	0.092	C	C	.	.	H	α-helix	trans	-73	-26.6	-173.4	-60.1	171.6	0	0	0	112.7	R83 F84 P107 E139 V199 G200 A317 L320 V321	R83-L202 HydrophobicContact CG-CD2 3.95Å; F84-L202 HydrophobicContact CE1-CD2 4.34Å; F84-L202 HydrophobicContact CZ-CD2 4.47Å; P107-L202 HydrophobicContact CB-CD1 3.81Å; P107-L202 HydrophobicContact CG-CD1 3.62Å; E139-L202 HydrophobicContact CG-CD1 4.27Å; V199-L202 PolarHBondContact O-N 2.87Å; G200-L202 PolarHBondContact O-N 3.02Å; L202-A317 HydrophobicContact CD1-CB 3.85Å; L202-L320 HydrophobicContact CD2-CD1 4.14Å; L202-V321 HydrophobicContact CD1-CG2 4.3Å; L202-V321 HydrophobicContact CG-CG2 4.5Å
203	G	98.3	Very high	98	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-89.9	-28	176.9	0	0	0	0	0	114.7	R198 V199 G200 V201 Y216 G217	R198-G203 VanDerWaalsContact CB-CA 3.49Å; R198-G203 WeakPolarHBondContact O-CA 3.1Å; V199-G203 PolarHBondContact O-N 3.14Å; G200-G203 PolarHBondContact O-N 3.45Å; G200-G203 VanDerWaalsContact O-N 3.11Å; V201-G203 VanDerWaalsContact C-N 3.32Å; V201-G203 PolarHBondContact O-N 3.49Å; G203-Y216 CarbonylContact O-C 3.56Å; G203-Y216 WeakPolarHBondContact O-CA 3.18Å; G203-Y216 VanDerWaalsContact O-CB 3.31Å; G203-Y216 WeakPolarHBondContact O-CB 3.22Å; G203-Y216 WeakPolarHBondContact O-CD2 3.42Å; G203-Y216 PolarHBondContact O-N 3.26Å; G203-G217 PolarHBondContact O-N 3.17Å
204	F	98.6	Very high	98	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-142.6	9.9	-160.2	-58.2	-75.7	0	0	0	115.5	Y171 Y197 G200 S206 L218 F334 G335 P336	Y171-F204 HydrophobicContact CD1-CE1 4.38Å; Y171-F204 AromaticContact CD1-CE2 3.98Å; Y171-F204 HydrophobicContact CD1-CE2 3.98Å; Y171-F204 AromaticContact CD1-CZ 3.77Å; Y171-F204 HydrophobicContact CD1-CZ 3.77Å; Y171-F204 HydrophobicContact CE1-CZ 4.43Å; Y171-F204 HydrophobicContact CG-CE2 4.33Å; Y171-F204 HydrophobicContact CG-CZ 4.49Å; Y197-F204 HydrophobicContact CD2-CZ 4.43Å; Y197-F204 HydrophobicContact CE2-CE2 4.25Å; Y197-F204 HydrophobicContact CE2-CZ 4.11Å; G200-F204 PolarHBondContact O-N 3.41Å; F204-S206 PolarHBondContact O-N 3.39Å; F204-L218 HydrophobicContact CE1-CG 4.38Å; F204-F334 HydrophobicContact CB-CB 4.12Å; F204-G335 VanDerWaalsContact CB-N 3.33Å; F204-G335 VanDerWaalsContact CD1-C 3.41Å; F204-P336 HydrophobicContact CD1-CG 4.34Å; F204-P336 HydrophobicContact CE1-CG 3.92Å
205	L	98.6	Very high	98	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.106	C	C	.	.			trans	-60.9	128.7	169.6	-179.3	145.1	0	0	0	110.7	F84 V201 A212 G214 Y216 T291 L294 L312	F84-L205 HydrophobicContact CD1-CB 4.03Å; F84-L205 HydrophobicContact CD1-CD2 4.25Å; F84-L205 HydrophobicContact CE1-CB 3.89Å; F84-L205 HydrophobicContact CE1-CD1 4.14Å; F84-L205 HydrophobicContact CE1-CD2 4.41Å; F84-L205 HydrophobicContact CE1-CG 4.37Å; F84-L205 HydrophobicContact CG-CD2 4.47Å; F84-L205 HydrophobicContact CZ-CD1 4.21Å; V201-L205 HydrophobicContact CG1-CB 4.36Å; V201-L205 HydrophobicContact CG1-CD1 3.97Å; V201-L205 WeakPolarHBondContact O-CB 3.13Å; V201-L205 PolarHBondContact O-N 2.89Å; L205-A212 HydrophobicContact CD2-CB 3.71Å; L205-G214 WeakPolarHBondContact O-CA 3.16Å; L205-Y216 VanDerWaalsContact O-CE2 3.26Å; L205-Y216 WeakPolarHBondContact O-CE2 3.34Å; L205-T291 HydrophobicContact CD1-CG2 4.11Å; L205-T291 HydrophobicContact CD2-CG2 4.04Å; L205-T291 HydrophobicContact CG-CG2 3.94Å; L205-L294 HydrophobicContact CD1-CD2 3.78Å; L205-L312 HydrophobicContact CD1-CD1 3.96Å
206	S	98.6	Very high	98	Very high	4 Å²	4	18.5 Å²	18.5	3%	0.028	11%	0.107	C	C	.	.			trans	-139.1	137.2	176.8	173.4	0	0	0	0	111.1	F204 G208 A212 K213 P287 T291	F204-S206 PolarHBondContact O-N 3.39Å; S206-G208 VanDerWaalsContact C-N 3.35Å; S206-G208 PolarHBondContact OG-N 2.56Å; S206-A212 CarbonylContact C-O 3.57Å; S206-A212 VanDerWaalsContact CA-O 3.23Å; S206-A212 WeakPolarHBondContact CA-O 3.42Å; S206-A212 PolarHBondContact OG-O 3.5Å; S206-K213 VanDerWaalsContact CB-O 3.23Å; S206-K213 WeakPolarHBondContact CB-O 3.46Å; S206-K213 PolarHBondContact OG-O 3.17Å; S206-P287 CarbonylContact O-C 3.04Å; S206-T291 WeakPolarHBondContact O-CB 3.18Å; S206-T291 PolarHBondContact O-OG1 3.04Å
207	T	98.3	Very high	98	Very high	7 Å²	7	18.3 Å²	18.3	4%	0.043	11%	0.107	C	C	.	.			trans	-87	-5.6	173.8	44.7	0	0	0	0	112.9	D209 A211 A212 V288 T291 T305 M308 V309	T207-D209 VanDerWaalsContact CB-OD1 3.3Å; T207-D209 WeakPolarHBondContact CB-OD1 3.33Å; T207-D209 PolarHBondContact O-N 2.95Å; T207-D209 PolarHBondContact OG1-OD1 2.89Å; T207-A211 HydrophobicContact CG2-CB 4.45Å; T207-A212 HydrophobicContact CG2-CB 4.2Å; T207-A212 PolarHBondContact N-O 2.86Å; T207-A212 PolarHBondContact OG1-N 2.87Å; T207-A212 PolarHBondContact OG1-O 3.39Å; T207-A212 VanDerWaalsContact OG1-O 3.13Å; T207-V288 WeakPolarHBondContact O-CG2 3.25Å; T207-T291 HydrophobicContact CG2-CG2 4.12Å; T207-T305 HydrophobicContact CG2-CG2 4.24Å; T207-M308 HydrophobicContact CG2-CE 3.61Å; T207-V309 HydrophobicContact CG2-CG2 3.72Å
208	G	97.1	Very high	98	Very high	56 Å²	56	18.3 Å²	18.3	58%	0.577	11%	0.107	S	C	*	.	S	Bend	trans	70.8	12.6	-170.4	0	0	0	0	0	113.8	S206	S206-G208 VanDerWaalsContact C-N 3.35Å; S206-G208 PolarHBondContact OG-N 2.56Å
209	D	97.4	Very high	98.1	Very high	56 Å²	56	19 Å²	19	30%	0.299	11%	0.11	S	C	.	.	S	Bend	trans	-141.8	-160.7	178.1	70.8	16.2	0	0	0	111.2	T207 A211 T305	T207-D209 VanDerWaalsContact CB-OD1 3.3Å; T207-D209 WeakPolarHBondContact CB-OD1 3.33Å; T207-D209 PolarHBondContact O-N 2.95Å; T207-D209 PolarHBondContact OG1-OD1 2.89Å; D209-A211 WeakPolarHBondContact OD1-CB 3.41Å; D209-A211 PolarHBondContact OD1-N 3.08Å; D209-T305 VanDerWaalsContact OD2-CB 3.3Å; D209-T305 WeakPolarHBondContact OD2-CB 3.38Å; D209-T305 WeakPolarHBondContact OD2-CG2 3.29Å; D209-T305 PolarHBondContact OD2-OG1 3Å
210	Q	97.4	Very high	98.1	Very high	150 Å²	150	18.9 Å²	18.9	70%	0.701	11%	0.11	S	C	*	.	S	Bend	trans	-83.3	-8.8	-176.8	-57.8	-57.4	-71.8	0	0	114.7	K213	Q210-K213 VanDerWaalsContact OE1-CE 3.27Å
211	A	97.5	Very high	98.3	Very high	17 Å²	17	18.7 Å²	18.7	14%	0.14	11%	0.108	C	C	.	.	S	Bend	trans	-70.6	-41.6	-179.1	0	0	0	0	0	112.1	T207 D209 T305 V306 V309	T207-A211 HydrophobicContact CG2-CB 4.45Å; D209-A211 WeakPolarHBondContact OD1-CB 3.41Å; D209-A211 PolarHBondContact OD1-N 3.08Å; A211-T305 WeakPolarHBondContact CB-O 3.33Å; A211-V306 HydrophobicContact CB-CG2 3.95Å; A211-V309 HydrophobicContact CB-CG2 4.16Å
212	A	98.1	Very high	98.4	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.008	11%	0.107	C	C	.	.			trans	-145	102.2	167.1	0	0	0	0	0	109.4	L205 S206 T207 G214 Y216 V309	L205-A212 HydrophobicContact CD2-CB 3.71Å; S206-A212 CarbonylContact C-O 3.57Å; S206-A212 VanDerWaalsContact CA-O 3.23Å; S206-A212 WeakPolarHBondContact CA-O 3.42Å; S206-A212 PolarHBondContact OG-O 3.5Å; T207-A212 HydrophobicContact CG2-CB 4.2Å; T207-A212 PolarHBondContact N-O 2.86Å; T207-A212 PolarHBondContact OG1-N 2.87Å; T207-A212 PolarHBondContact OG1-O 3.39Å; T207-A212 VanDerWaalsContact OG1-O 3.13Å; A212-G214 VanDerWaalsContact C-N 3.34Å; A212-G214 PolarHBondContact O-N 3.08Å; A212-Y216 VanDerWaalsContact CA-OH 3.22Å; A212-Y216 WeakPolarHBondContact CA-OH 3.34Å; A212-Y216 VanDerWaalsContact CB-OH 3.3Å; A212-Y216 WeakPolarHBondContact CB-OH 3.29Å; A212-V309 HydrophobicContact CB-CG1 4.31Å; A212-V309 HydrophobicContact CB-CG2 3.73Å
213	K	98.1	Very high	98.4	Very high	64 Å²	64	19 Å²	19	28%	0.278	11%	0.109	S	C	.	.			trans	-61.8	-38.7	179.5	-67.9	-164.2	-178.9	-163.1	0	113.1	S206 Q210 Y216 V337 D341	S206-K213 VanDerWaalsContact CB-O 3.23Å; S206-K213 WeakPolarHBondContact CB-O 3.46Å; S206-K213 PolarHBondContact OG-O 3.17Å; Q210-K213 VanDerWaalsContact OE1-CE 3.27Å; K213-Y216 PolarHBondContact N-OH 3.3Å; K213-V337 WeakPolarHBondContact O-CG2 3.2Å; K213-D341 IonicContact NZ-OD2 3.79Å; K213-D341 PolarHBondContact NZ-OD2 2.69Å
214	G	98.3	Very high	98.4	Very high	1 Å²	1	19 Å²	19	1%	0.01	11%	0.109	C	C	.	.			trans	101.6	-158.1	-167.5	0	0	0	0	0	113	L205 A212 Y216	L205-G214 WeakPolarHBondContact O-CA 3.16Å; A212-G214 VanDerWaalsContact C-N 3.34Å; A212-G214 PolarHBondContact O-N 3.08Å; G214-Y216 PolarHBondContact N-OH 2.79Å; G214-Y216 WeakPolarHBondContact O-CD1 3.37Å; G214-Y216 VanDerWaalsContact O-CE1 3.3Å; G214-Y216 WeakPolarHBondContact O-CE1 3.36Å; G214-Y216 PolarHBondContact O-N 3.33Å
215	N	98.8	Very high	98.4	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.109	C	C	.	.			trans	55.6	13.8	174.2	-66.1	-25.3	0	0	0	117.1	G217 L218 L219 P336 V337 D339 V342	N215-G217 VanDerWaalsContact C-N 3.27Å; N215-G217 PolarHBondContact O-N 3.29Å; N215-L218 PolarHBondContact O-N 3.34Å; N215-L219 PolarHBondContact O-N 3.06Å; N215-P336 VanDerWaalsContact OD1-CA 3.31Å; N215-P336 WeakPolarHBondContact OD1-CA 3.41Å; N215-V337 PolarHBondContact ND2-O 2.88Å; N215-V337 PolarHBondContact OD1-N 2.73Å; N215-V337 PolarHBondContact OD1-O 2.81Å; N215-D339 PolarHBondContact ND2-OD2 2.73Å; N215-V342 HydrophobicContact CB-CB 4.06Å; N215-V342 HydrophobicContact CB-CG1 4.22Å; N215-V342 HydrophobicContact CB-CG2 4.15Å
216	Y	98.8	Very high	98.4	Very high	6 Å²	6	22.9 Å²	22.9	2%	0.024	12%	0.124	C	C	.	.	H	α-helix	trans	-58.3	-37	-179.7	-42.2	-62.6	0	0	0	112.8	F84 G203 L205 A212 K213 G214 L218 L219 D220	F84-Y216 VanDerWaalsContact C-CZ 3.42Å; F84-Y216 HydrophobicContact CB-CE2 3.86Å; F84-Y216 HydrophobicContact CD1-CE2 4.15Å; F84-Y216 WeakPolarHBondContact O-CE1 3.48Å; F84-Y216 PolarHBondContact O-OH 3.06Å; G203-Y216 CarbonylContact O-C 3.56Å; G203-Y216 WeakPolarHBondContact O-CA 3.18Å; G203-Y216 VanDerWaalsContact O-CB 3.31Å; G203-Y216 WeakPolarHBondContact O-CB 3.22Å; G203-Y216 WeakPolarHBondContact O-CD2 3.42Å; G203-Y216 PolarHBondContact O-N 3.26Å; L205-Y216 VanDerWaalsContact O-CE2 3.26Å; L205-Y216 WeakPolarHBondContact O-CE2 3.34Å; A212-Y216 VanDerWaalsContact CA-OH 3.22Å; A212-Y216 WeakPolarHBondContact CA-OH 3.34Å; A212-Y216 VanDerWaalsContact CB-OH 3.3Å; A212-Y216 WeakPolarHBondContact CB-OH 3.29Å; K213-Y216 PolarHBondContact N-OH 3.3Å; G214-Y216 PolarHBondContact N-OH 2.79Å; G214-Y216 WeakPolarHBondContact O-CD1 3.37Å; G214-Y216 VanDerWaalsContact O-CE1 3.3Å; G214-Y216 WeakPolarHBondContact O-CE1 3.36Å; G214-Y216 PolarHBondContact O-N 3.33Å; Y216-L218 PolarHBondContact O-N 3.03Å; Y216-L219 PolarHBondContact O-N 2.9Å; Y216-D220 WeakPolarHBondContact O-CB 3.45Å; Y216-D220 PolarHBondContact O-N 2.95Å
217	G	98.7	Very high	98.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-67.1	-29.6	175	0	0	0	0	0	114.1	R198 G203 N215 Q221	R198-G217 WeakPolarHBondContact O-CA 3.32Å; G203-G217 PolarHBondContact O-N 3.17Å; N215-G217 VanDerWaalsContact C-N 3.27Å; N215-G217 PolarHBondContact O-N 3.29Å; G217-Q221 VanDerWaalsContact O-CG 3.29Å; G217-Q221 WeakPolarHBondContact O-CG 3.21Å; G217-Q221 PolarHBondContact O-N 3.16Å; G217-Q221 PolarHBondContact O-NE2 3.12Å
218	L	98.9	Very high	98.5	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-76	-41.1	170.2	-65	-178.3	0	0	0	110.8	F204 N215 Y216 D220 Q221 I222 C253 L256 P336 V342 I343	F204-L218 HydrophobicContact CE1-CG 4.38Å; N215-L218 PolarHBondContact O-N 3.34Å; Y216-L218 PolarHBondContact O-N 3.03Å; L218-D220 VanDerWaalsContact C-N 3.26Å; L218-D220 PolarHBondContact O-N 3.22Å; L218-Q221 WeakPolarHBondContact O-CB 3.28Å; L218-Q221 PolarHBondContact O-N 2.95Å; L218-Q221 VanDerWaalsContact O-N 3.11Å; L218-I222 VanDerWaalsContact O-CG1 3.31Å; L218-I222 WeakPolarHBondContact O-CG1 3.3Å; L218-I222 PolarHBondContact O-N 3.32Å; L218-C253 HydrophobicContact CD2-CB 4.41Å; L218-L256 HydrophobicContact CD1-CB 4.43Å; L218-P336 HydrophobicContact CD1-CB 4Å; L218-P336 HydrophobicContact CD1-CG 4.07Å; L218-P336 HydrophobicContact CD2-CG 4.37Å; L218-P336 HydrophobicContact CG-CG 4.28Å; L218-V342 HydrophobicContact CB-CG1 4.25Å; L218-V342 HydrophobicContact CD1-CG1 4.32Å; L218-I343 HydrophobicContact CD1-CD1 4.14Å; L218-I343 HydrophobicContact CD1-CG1 4.19Å
219	L	98.9	Very high	98.5	Very high	20 Å²	20	21.3 Å²	21.3	11%	0.105	11%	0.105	C	C	.	.	H	α-helix	trans	-62.4	-33.1	175.6	-71.5	166	0	0	0	112.4	P86 P87 N215 Y216 I222 Q223 V342	P86-L219 HydrophobicContact CB-CD1 4.07Å; P86-L219 HydrophobicContact CG-CD1 4.03Å; P87-L219 HydrophobicContact CG-CB 4.32Å; P87-L219 WeakPolarHBondContact CG-O 3.12Å; N215-L219 PolarHBondContact O-N 3.06Å; Y216-L219 PolarHBondContact O-N 2.9Å; L219-I222 HydrophobicContact CD2-CD1 4.38Å; L219-I222 PolarHBondContact O-N 2.9Å; L219-Q223 VanDerWaalsContact O-CB 3.3Å; L219-Q223 WeakPolarHBondContact O-CB 3.5Å; L219-Q223 PolarHBondContact O-N 2.96Å; L219-V342 HydrophobicContact CD1-CG2 4.07Å; L219-V342 HydrophobicContact CD2-CG2 3.7Å; L219-V342 HydrophobicContact CG-CG2 3.86Å
220	D	98.9	Very high	98.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.2	-47.5	170	-72.9	-14.1	0	0	0	111.6	Y74 P87 L142 R198 Y216 L218 I222 Q223 A224	Y74-D220 WeakPolarHBondContact CE2-O 3.29Å; P87-D220 WeakPolarHBondContact CB-OD1 3.48Å; P87-D220 WeakPolarHBondContact CG-OD1 3.45Å; L142-D220 HydrophobicContact CD2-CB 4.26Å; L142-D220 WeakPolarHBondContact CD2-OD2 3.35Å; R198-D220 WeakPolarHBondContact CB-OD2 3.34Å; R198-D220 VanDerWaalsContact CG-OD2 3.28Å; R198-D220 WeakPolarHBondContact CG-OD2 3.48Å; R198-D220 IonicContact CZ-OD1 3.36Å; R198-D220 IonicContact CZ-OD2 3.85Å; R198-D220 PolarHBondContact N-OD2 3.31Å; R198-D220 IonicContact NE-OD1 3.15Å; R198-D220 PolarHBondContact NE-OD1 3.26Å; R198-D220 IonicContact NE-OD2 2.71Å; R198-D220 PolarHBondContact NE-OD2 2.99Å; R198-D220 IonicContact NH2-OD1 2.73Å; R198-D220 PolarHBondContact NH2-OD1 3.28Å; R198-D220 IonicContact NH2-OD2 2.72Å; Y216-D220 WeakPolarHBondContact O-CB 3.45Å; Y216-D220 PolarHBondContact O-N 2.95Å; L218-D220 VanDerWaalsContact C-N 3.26Å; L218-D220 PolarHBondContact O-N 3.22Å; D220-I222 PolarHBondContact O-N 2.97Å; D220-Q223 PolarHBondContact O-N 2.94Å; D220-A224 PolarHBondContact O-N 2.81Å
221	Q	98.9	Very high	98.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.8	-42.6	175.2	-64.3	160.9	16.4	0	0	111.4	I166 L195 Y197 G217 L218 A224 L225 C253 L257	I166-Q221 HydrophobicContact CD1-CB 4.26Å; I166-Q221 HydrophobicContact CD1-CG 4.16Å; I166-Q221 HydrophobicContact CG2-CG 4.36Å; L195-Q221 HydrophobicContact CD1-CG 4.12Å; Y197-Q221 HydrophobicContact CD1-CG 3.99Å; Y197-Q221 HydrophobicContact CG-CG 3.92Å; G217-Q221 VanDerWaalsContact O-CG 3.29Å; G217-Q221 WeakPolarHBondContact O-CG 3.21Å; G217-Q221 PolarHBondContact O-N 3.16Å; G217-Q221 PolarHBondContact O-NE2 3.12Å; L218-Q221 WeakPolarHBondContact O-CB 3.28Å; L218-Q221 PolarHBondContact O-N 2.95Å; L218-Q221 VanDerWaalsContact O-N 3.11Å; Q221-A224 WeakPolarHBondContact O-CB 3.33Å; Q221-A224 PolarHBondContact O-N 2.88Å; Q221-L225 VanDerWaalsContact O-CG 3.3Å; Q221-L225 WeakPolarHBondContact O-CG 3.31Å; Q221-L225 PolarHBondContact O-N 2.88Å; Q221-C253 PolarHBondContact NE2-SG 2.8Å; Q221-C253 VanDerWaalsContact NE2-SG 3.37Å; Q221-L257 HydrophobicContact CB-CD1 4.2Å
222	I	98.9	Very high	98.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.9	-43.4	175	-69	161.2	0	0	0	110.9	L218 L219 D220 L225 R226 L257 H262 L266 V342	L218-I222 VanDerWaalsContact O-CG1 3.31Å; L218-I222 WeakPolarHBondContact O-CG1 3.3Å; L218-I222 PolarHBondContact O-N 3.32Å; L219-I222 HydrophobicContact CD2-CD1 4.38Å; L219-I222 PolarHBondContact O-N 2.9Å; D220-I222 PolarHBondContact O-N 2.97Å; I222-L225 PolarHBondContact O-N 3.48Å; I222-R226 WeakPolarHBondContact O-CG 3.31Å; I222-R226 PolarHBondContact O-N 3.46Å; I222-L257 HydrophobicContact CD1-CD2 3.91Å; I222-L257 HydrophobicContact CG1-CD2 3.45Å; I222-L257 VanDerWaalsContact CG1-CD2 3.45Å; I222-H262 HydrophobicContact CD1-CB 3.86Å; I222-H262 HydrophobicContact CG2-CB 4.33Å; I222-L266 HydrophobicContact CG2-CD1 3.98Å; I222-V342 HydrophobicContact CD1-CG1 4.16Å
223	Q	98.9	Very high	98.6	Very high	16 Å²	16	18.2 Å²	18.2	8%	0.075	10%	0.095	C	C	.	.	H	α-helix	trans	-68.6	-33.9	177.7	178.7	50.7	36.9	0	0	112.2	Y74 A75 P87 L219 D220 W227	Y74-Q223 HydrophobicContact CD2-CB 4.5Å; Y74-Q223 HydrophobicContact CD2-CG 4.19Å; Y74-Q223 HydrophobicContact CE2-CB 4.49Å; Y74-Q223 PolarHBondContact O-NE2 2.92Å; Y74-Q223 VanDerWaalsContact O-NE2 3.15Å; A75-Q223 HydrophobicContact CB-CG 4.01Å; P87-Q223 HydrophobicContact CB-CB 4.29Å; P87-Q223 HydrophobicContact CB-CG 4.2Å; P87-Q223 HydrophobicContact CG-CB 3.62Å; P87-Q223 HydrophobicContact CG-CG 4.04Å; L219-Q223 VanDerWaalsContact O-CB 3.3Å; L219-Q223 WeakPolarHBondContact O-CB 3.5Å; L219-Q223 PolarHBondContact O-N 2.96Å; D220-Q223 PolarHBondContact O-N 2.94Å; Q223-W227 WeakPolarHBondContact O-CB 3.49Å; Q223-W227 PolarHBondContact O-N 2.87Å
224	A	98.9	Very high	98.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.6	-43.8	168.8	0	0	0	0	0	111.4	Y74 L144 L195 D220 Q221 W227 V228	Y74-A224 HydrophobicContact CD1-CB 4.05Å; Y74-A224 HydrophobicContact CD2-CB 3.7Å; Y74-A224 HydrophobicContact CE1-CB 4.08Å; Y74-A224 HydrophobicContact CE2-CB 3.77Å; Y74-A224 HydrophobicContact CG-CB 3.86Å; L144-A224 HydrophobicContact CD2-CB 4.29Å; L195-A224 HydrophobicContact CD2-CB 3.94Å; D220-A224 PolarHBondContact O-N 2.81Å; Q221-A224 WeakPolarHBondContact O-CB 3.33Å; Q221-A224 PolarHBondContact O-N 2.88Å; A224-W227 WeakPolarHBondContact O-CB 3.48Å; A224-W227 PolarHBondContact O-N 3.26Å; A224-V228 VanDerWaalsContact O-CG2 3.29Å; A224-V228 WeakPolarHBondContact O-CG2 3.43Å; A224-V228 PolarHBondContact O-N 3.37Å
225	L	98.9	Very high	98.4	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-65	-38.1	177.1	-70.3	166.2	0	0	0	112.5	V164 Q221 I222 V228 S229 I242 V244 L257 L266 F267	V164-L225 HydrophobicContact CB-CD2 4.25Å; V164-L225 HydrophobicContact CG1-CD2 4.04Å; V164-L225 HydrophobicContact CG2-CD2 4.22Å; Q221-L225 VanDerWaalsContact O-CG 3.3Å; Q221-L225 WeakPolarHBondContact O-CG 3.31Å; Q221-L225 PolarHBondContact O-N 2.88Å; I222-L225 PolarHBondContact O-N 3.48Å; L225-V228 PolarHBondContact O-N 3.36Å; L225-S229 WeakPolarHBondContact O-CB 3.27Å; L225-S229 PolarHBondContact O-N 3.25Å; L225-I242 HydrophobicContact CD2-CG2 4.42Å; L225-V244 HydrophobicContact CD1-CG2 4.25Å; L225-V244 HydrophobicContact CD2-CG2 3.64Å; L225-L257 HydrophobicContact CD1-CD1 4.1Å; L225-L266 HydrophobicContact CB-CB 4.12Å; L225-L266 HydrophobicContact CB-CD1 4.03Å; L225-F267 HydrophobicContact CD1-CD1 4Å; L225-F267 HydrophobicContact CD1-CE1 4.2Å
226	R	98.7	Very high	98.3	Very high	80 Å²	80	21.5 Å²	21.5	30%	0.302	12%	0.119	S	C	.	.	H	α-helix	trans	-59	-50.8	169.9	-71.8	170.3	-173.7	163.6	3.7	110.9	I222 V228 S229 E230 H262 L266	I222-R226 WeakPolarHBondContact O-CG 3.31Å; I222-R226 PolarHBondContact O-N 3.46Å; R226-V228 VanDerWaalsContact C-N 3.31Å; R226-V228 PolarHBondContact O-N 2.84Å; R226-S229 PolarHBondContact O-N 2.9Å; R226-E230 WeakPolarHBondContact O-CG 3.41Å; R226-E230 PolarHBondContact O-N 3.19Å; R226-H262 PolarHBondContact NH2-O 2.98Å; R226-L266 HydrophobicContact CG-CD1 3.67Å; R226-L266 HydrophobicContact CG-CD2 3.68Å; R226-L266 HydrophobicContact CG-CG 4.35Å
227	W	98.8	Very high	98.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57.3	-42.4	176.3	-175	102.3	0	0	0	112.3	T46 F48 V72 P73 L144 Q223 A224 E230 N231 F235	T46-W227 HydrophobicContact CG2-CZ2 4.07Å; F48-W227 AromaticContact CD2-CD1 4Å; F48-W227 AromaticContact CD2-NE1 3.67Å; F48-W227 AromaticContact CE2-CD1 3.58Å; F48-W227 AromaticContact CE2-NE1 3.75Å; V72-W227 HydrophobicContact CG1-CH2 3.73Å; V72-W227 HydrophobicContact CG1-CZ2 3.39Å; P73-W227 PolarHBondContact O-NE1 3.11Å; L144-W227 HydrophobicContact CD1-CE3 4.2Å; L144-W227 HydrophobicContact CD1-CH2 4.19Å; L144-W227 HydrophobicContact CD1-CZ3 3.79Å; L144-W227 HydrophobicContact CD2-CD2 4.32Å; L144-W227 HydrophobicContact CD2-CE3 3.78Å; L144-W227 HydrophobicContact CD2-CZ3 4.21Å; Q223-W227 WeakPolarHBondContact O-CB 3.49Å; Q223-W227 PolarHBondContact O-N 2.87Å; A224-W227 WeakPolarHBondContact O-CB 3.48Å; A224-W227 PolarHBondContact O-N 3.26Å; W227-E230 PolarHBondContact O-N 2.83Å; W227-N231 HydrophobicContact CD2-CB 4.2Å; W227-N231 HydrophobicContact CE3-CB 4.23Å; W227-N231 HydrophobicContact CH2-CB 4.12Å; W227-N231 HydrophobicContact CZ2-CB 4.1Å; W227-N231 HydrophobicContact CZ3-CB 4.19Å; W227-N231 VanDerWaalsContact O-CB 3.26Å; W227-N231 WeakPolarHBondContact O-CB 3.19Å; W227-N231 PolarHBondContact O-N 2.99Å; W227-N231 PolarHBondContact O-ND2 2.85Å; W227-F235 AromaticContact CH2-CE2 3.72Å; W227-F235 HydrophobicContact CH2-CE2 3.72Å; W227-F235 AromaticContact CH2-CZ 3.93Å; W227-F235 HydrophobicContact CH2-CZ 3.93Å; W227-F235 HydrophobicContact CZ3-CE2 4.38Å
228	V	98.8	Very high	98.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.5	-49.2	178.1	170.8	0	0	0	0	110.6	L144 V162 V164 I193 A224 L225 R226 E230 N231 I232 I242	L144-V228 HydrophobicContact CD2-CG2 4.13Å; V162-V228 HydrophobicContact CG1-CG1 4.05Å; V164-V228 HydrophobicContact CG2-CG1 4.25Å; I193-V228 HydrophobicContact CD1-CB 4.34Å; I193-V228 HydrophobicContact CD1-CG1 3.76Å; I193-V228 HydrophobicContact CD1-CG2 3.53Å; A224-V228 VanDerWaalsContact O-CG2 3.29Å; A224-V228 WeakPolarHBondContact O-CG2 3.43Å; A224-V228 PolarHBondContact O-N 3.37Å; L225-V228 PolarHBondContact O-N 3.36Å; R226-V228 VanDerWaalsContact C-N 3.31Å; R226-V228 PolarHBondContact O-N 2.84Å; V228-E230 VanDerWaalsContact C-N 3.28Å; V228-E230 PolarHBondContact O-N 3.05Å; V228-N231 PolarHBondContact O-N 3.14Å; V228-I232 HydrophobicContact CG1-CB 4.02Å; V228-I232 HydrophobicContact CG1-CG1 4.33Å; V228-I232 HydrophobicContact CG1-CG2 4.24Å; V228-I232 WeakPolarHBondContact O-CB 3.44Å; V228-I232 WeakPolarHBondContact O-CG2 3.27Å; V228-I232 PolarHBondContact O-N 2.7Å; V228-I242 HydrophobicContact CG1-CD1 3.9Å; V228-I242 HydrophobicContact CG1-CG1 4.36Å
229	S	97.7	Very high	98.1	Very high	35 Å²	35	23.7 Å²	23.7	25%	0.245	13%	0.133	C	C	.	.	H	α-helix	trans	-57.2	-40.8	178.3	-169.9	0	0	0	0	112.3	L225 R226 P239	L225-S229 WeakPolarHBondContact O-CB 3.27Å; L225-S229 PolarHBondContact O-N 3.25Å; R226-S229 PolarHBondContact O-N 2.9Å; S229-P239 VanDerWaalsContact O-CB 3.27Å; S229-P239 WeakPolarHBondContact O-CB 3.34Å
230	E	98	Very high	98	Very high	103 Å²	103	31.4 Å²	31.4	48%	0.481	16%	0.161	S	C	.	.	H	α-helix	trans	-73.5	-37.9	177.3	-70.6	173.8	-176.2	0	0	114.1	R226 W227 V228	R226-E230 WeakPolarHBondContact O-CG 3.41Å; R226-E230 PolarHBondContact O-N 3.19Å; W227-E230 PolarHBondContact O-N 2.83Å; V228-E230 VanDerWaalsContact C-N 3.28Å; V228-E230 PolarHBondContact O-N 3.05Å
231	N	98.5	Very high	97.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-112.6	-16.4	-164.2	-64.3	-90.2	0	0	0	115.2	T46 H47 W227 V228 A233 F234 F235	T46-N231 WeakPolarHBondContact CB-OD1 3.47Å; H47-N231 PolarHBondContact CD2-OD1 2.94Å; H47-N231 PolarHBondContact N-OD1 2.9Å; W227-N231 HydrophobicContact CD2-CB 4.2Å; W227-N231 HydrophobicContact CE3-CB 4.23Å; W227-N231 HydrophobicContact CH2-CB 4.12Å; W227-N231 HydrophobicContact CZ2-CB 4.1Å; W227-N231 HydrophobicContact CZ3-CB 4.19Å; W227-N231 VanDerWaalsContact O-CB 3.26Å; W227-N231 WeakPolarHBondContact O-CB 3.19Å; W227-N231 PolarHBondContact O-N 2.99Å; W227-N231 PolarHBondContact O-ND2 2.85Å; V228-N231 PolarHBondContact O-N 3.14Å; N231-A233 PolarHBondContact O-N 2.6Å; N231-F234 HydrophobicContact CB-CD2 4.26Å; N231-F234 VanDerWaalsContact O-CD2 3.26Å; N231-F234 WeakPolarHBondContact O-CD2 3.45Å; N231-F234 PolarHBondContact O-N 3.44Å; N231-F235 WeakPolarHBondContact O-CD2 3.38Å
232	I	98.3	Very high	97.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-68.4	-21.9	-170.9	-154.9	60	0	0	0	113.6	V146 V162 I191 I193 V228 F234 F235 G236 G237 P239	V146-I232 HydrophobicContact CG1-CD1 4.03Å; V162-I232 HydrophobicContact CG1-CG1 4.08Å; V162-I232 HydrophobicContact CG2-CB 4.49Å; V162-I232 HydrophobicContact CG2-CG1 3.75Å; V162-I232 HydrophobicContact CG2-CG2 3.98Å; I191-I232 HydrophobicContact CD1-CD1 4.49Å; I191-I232 HydrophobicContact CD1-CG1 4.37Å; I191-I232 HydrophobicContact CG2-CD1 4.08Å; I193-I232 HydrophobicContact CD1-CD1 3.64Å; I193-I232 HydrophobicContact CD1-CG1 4.31Å; V228-I232 HydrophobicContact CG1-CB 4.02Å; V228-I232 HydrophobicContact CG1-CG1 4.33Å; V228-I232 HydrophobicContact CG1-CG2 4.24Å; V228-I232 WeakPolarHBondContact O-CB 3.44Å; V228-I232 WeakPolarHBondContact O-CG2 3.27Å; V228-I232 PolarHBondContact O-N 2.7Å; I232-F234 PolarHBondContact O-N 3.3Å; I232-F235 HydrophobicContact CD1-CB 4.15Å; I232-F235 HydrophobicContact CD1-CD2 4.06Å; I232-F235 HydrophobicContact CD1-CG 4.27Å; I232-F235 PolarHBondContact O-N 2.84Å; I232-G236 PolarHBondContact O-N 2.79Å; I232-G237 PolarHBondContact O-N 3.46Å; I232-P239 HydrophobicContact CG2-CB 4.24Å
233	A	97.5	Very high	97.9	Very high	56 Å²	56	33.5 Å²	33.5	46%	0.463	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-57.6	-32.5	171.3	0	0	0	0	0	113	N231 F235 G236 G237	N231-A233 PolarHBondContact O-N 2.6Å; A233-F235 PolarHBondContact O-N 2.92Å; A233-G236 PolarHBondContact O-N 3.36Å; A233-G236 VanDerWaalsContact O-N 3.08Å; A233-G237 WeakPolarHBondContact CA-O 3.41Å
234	F	96.9	Very high	97.9	Very high	87 Å²	87	32.7 Å²	32.7	38%	0.382	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-71.7	-15.5	176.6	-55.2	-63.4	0	0	0	113.6	V44 N45 H47 N231 I232	V44-F234 HydrophobicContact CG1-CB 3.77Å; V44-F234 WeakPolarHBondContact CG1-O 3.42Å; N45-F234 WeakPolarHBondContact O-CB 3.48Å; N45-F234 WeakPolarHBondContact O-CD1 3.44Å; N45-F234 WeakPolarHBondContact O-CD2 3.43Å; N45-F234 WeakPolarHBondContact O-CG 3.19Å; H47-F234 AromaticContact CD2-CE2 3.61Å; H47-F234 AromaticContact CE1-CZ 3.92Å; H47-F234 AromaticContact NE2-CE2 3.62Å; H47-F234 AromaticContact NE2-CZ 3.7Å; N231-F234 HydrophobicContact CB-CD2 4.26Å; N231-F234 VanDerWaalsContact O-CD2 3.26Å; N231-F234 WeakPolarHBondContact O-CD2 3.45Å; N231-F234 PolarHBondContact O-N 3.44Å; I232-F234 PolarHBondContact O-N 3.3Å
235	F	96.9	Very high	97.9	Very high	13 Å²	13	32.7 Å²	32.7	6%	0.057	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-98.7	2.2	172.7	-58.5	-99.5	0	0	0	112.1	V44 T46 L51 Y69 V146 V148 I191 W227 N231 I232 A233	V44-F235 HydrophobicContact CB-CD1 4.38Å; V44-F235 HydrophobicContact CB-CE1 4.18Å; V44-F235 HydrophobicContact CG1-CD1 4.07Å; V44-F235 HydrophobicContact CG1-CD2 4.08Å; V44-F235 HydrophobicContact CG1-CE1 3.89Å; V44-F235 HydrophobicContact CG1-CE2 3.91Å; V44-F235 HydrophobicContact CG1-CG 4.17Å; V44-F235 HydrophobicContact CG1-CZ 3.82Å; V44-F235 HydrophobicContact CG2-CD1 4.13Å; V44-F235 HydrophobicContact CG2-CE1 4.39Å; T46-F235 HydrophobicContact CG2-CE2 4.02Å; T46-F235 HydrophobicContact CG2-CZ 4.11Å; L51-F235 HydrophobicContact CD1-CE1 4.5Å; L51-F235 HydrophobicContact CD1-CZ 3.84Å; Y69-F235 AromaticContact CD1-CE1 3.94Å; Y69-F235 HydrophobicContact CD1-CE1 3.94Å; Y69-F235 AromaticContact CD2-CD1 3.85Å; Y69-F235 HydrophobicContact CD2-CD1 3.85Å; Y69-F235 AromaticContact CD2-CE1 3.73Å; Y69-F235 HydrophobicContact CD2-CE1 3.73Å; Y69-F235 HydrophobicContact CE1-CE1 4.19Å; Y69-F235 AromaticContact CE2-CD1 3.83Å; Y69-F235 HydrophobicContact CE2-CD1 3.83Å; Y69-F235 HydrophobicContact CE2-CE1 4.01Å; Y69-F235 HydrophobicContact CG-CD1 4.31Å; Y69-F235 AromaticContact CG-CE1 3.71Å; Y69-F235 HydrophobicContact CG-CE1 3.71Å; V146-F235 HydrophobicContact CB-CE1 4.48Å; V146-F235 HydrophobicContact CG1-CD1 4.11Å; V146-F235 HydrophobicContact CG1-CE1 4.49Å; V146-F235 HydrophobicContact CG1-CG 4.39Å; V148-F235 HydrophobicContact CG2-CB 4.06Å; V148-F235 HydrophobicContact CG2-CD1 4.18Å; I191-F235 HydrophobicContact CD1-CB 4.15Å; I191-F235 WeakPolarHBondContact CD1-O 3.34Å; W227-F235 AromaticContact CH2-CE2 3.72Å; W227-F235 HydrophobicContact CH2-CE2 3.72Å; W227-F235 AromaticContact CH2-CZ 3.93Å; W227-F235 HydrophobicContact CH2-CZ 3.93Å; W227-F235 HydrophobicContact CZ3-CE2 4.38Å; N231-F235 WeakPolarHBondContact O-CD2 3.38Å; I232-F235 HydrophobicContact CD1-CB 4.15Å; I232-F235 HydrophobicContact CD1-CD2 4.06Å; I232-F235 HydrophobicContact CD1-CG 4.27Å; I232-F235 PolarHBondContact O-N 2.84Å; A233-F235 PolarHBondContact O-N 2.92Å
236	G	95.4	Very high	97.9	Very high	34 Å²	34	32.7 Å²	32.7	35%	0.351	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	15.8	-177.6	0	0	0	0	0	115.2	A159 K160 I232 A233	A159-G236 CarbonylContact C-O 3.19Å; A159-G236 VanDerWaalsContact CA-O 3.29Å; A159-G236 WeakPolarHBondContact CA-O 3.42Å; K160-G236 PolarHBondContact N-O 2.88Å; I232-G236 PolarHBondContact O-N 2.79Å; A233-G236 PolarHBondContact O-N 3.36Å; A233-G236 VanDerWaalsContact O-N 3.08Å
237	G	97.3	Very high	97.9	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	152.4	176.7	0	0	0	0	0	114.3	K160 I232 A233 P239	K160-G237 CarbonylContact O-C 3.49Å; K160-G237 VanDerWaalsContact O-CA 3.26Å; K160-G237 WeakPolarHBondContact O-CA 3.39Å; I232-G237 PolarHBondContact O-N 3.46Å; A233-G237 WeakPolarHBondContact CA-O 3.41Å; G237-P239 WeakPolarHBondContact O-CD 3.46Å
238	D	97.4	Very high	97.8	Very high	17 Å²	17	29 Å²	29	9%	0.091	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	112.2	171.4	-170.5	-13.1	0	0	0	110.1	A159 K160 R240 R241	A159-D238 HydrophobicContact CB-CB 3.89Å; K160-D238 PolarHBondContact O-N 3Å; D238-R240 PolarHBondContact O-N 3.35Å; D238-R240 WeakPolarHBondContact OD1-CB 3.3Å; D238-R240 IonicContact OD1-CZ 3.72Å; D238-R240 PolarHBondContact OD1-N 2.89Å; D238-R240 IonicContact OD1-NE 3.73Å; D238-R240 PolarHBondContact OD1-NE 3.29Å; D238-R240 IonicContact OD1-NH2 2.85Å; D238-R240 IonicContact OD2-CZ 2.78Å; D238-R240 IonicContact OD2-NE 3.54Å; D238-R240 IonicContact OD2-NH2 3.74Å; D238-R240 PolarHBondContact OD2-NH2 3.27Å; D238-R241 HydrophobicContact CB-CB 4.23Å; D238-R241 HydrophobicContact CB-CG 4.28Å; D238-R241 PolarHBondContact O-N 3.06Å; D238-R241 IonicContact OD2-NE 2.97Å
239	P	97.4	Very high	97.6	Very high	35 Å²	35	29.2 Å²	29.2	23%	0.227	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-7.2	178.4	28.3	-35.1	0	0	0	113.8	S229 I232 G237 I242 Q268	S229-P239 VanDerWaalsContact O-CB 3.27Å; S229-P239 WeakPolarHBondContact O-CB 3.34Å; I232-P239 HydrophobicContact CG2-CB 4.24Å; G237-P239 WeakPolarHBondContact O-CD 3.46Å; P239-I242 HydrophobicContact CB-CD1 4.27Å; P239-I242 WeakPolarHBondContact O-CD1 3.34Å; P239-Q268 PolarHBondContact O-NE2 2.84Å
240	R	96.9	Very high	97.6	Very high	181 Å²	181	27.5 Å²	27.5	68%	0.683	14%	0.141	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	7.9	172.9	-48.1	164.1	-58.1	149.1	17.9	112.8	D238 Q268	D238-R240 PolarHBondContact O-N 3.35Å; D238-R240 WeakPolarHBondContact OD1-CB 3.3Å; D238-R240 IonicContact OD1-CZ 3.72Å; D238-R240 PolarHBondContact OD1-N 2.89Å; D238-R240 IonicContact OD1-NE 3.73Å; D238-R240 PolarHBondContact OD1-NE 3.29Å; D238-R240 IonicContact OD1-NH2 2.85Å; D238-R240 IonicContact OD2-CZ 2.78Å; D238-R240 IonicContact OD2-NE 3.54Å; D238-R240 IonicContact OD2-NH2 3.74Å; D238-R240 PolarHBondContact OD2-NH2 3.27Å; R240-Q268 PolarHBondContact O-OE1 2.84Å
241	R	97.4	Very high	97.6	Very high	44 Å²	44	22.6 Å²	22.6	17%	0.166	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	43	171.3	-60.4	-161.8	-72.9	173.1	-4.4	110.9	D156 A159 P161 V162 D238	D156-R241 IonicContact OD1-NH2 2.81Å; D156-R241 IonicContact OD2-CZ 3.02Å; D156-R241 IonicContact OD2-NH1 3.69Å; D156-R241 PolarHBondContact OD2-NH1 2.88Å; D156-R241 IonicContact OD2-NH2 3.39Å; D156-R241 PolarHBondContact OD2-NH2 2.74Å; A159-R241 PolarHBondContact O-NH2 3Å; P161-R241 HydrophobicContact CB-CB 4.21Å; V162-R241 PolarHBondContact N-O 3.41Å; D238-R241 HydrophobicContact CB-CB 4.23Å; D238-R241 HydrophobicContact CB-CG 4.28Å; D238-R241 PolarHBondContact O-N 3.06Å; D238-R241 IonicContact OD2-NE 2.97Å
242	I	98.8	Very high	97.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	124	172.8	-61.5	169.5	0	0	0	109.2	V162 V164 L225 V228 P239 L266 F267 Q268 R269	V162-I242 HydrophobicContact CB-CG1 4.09Å; V162-I242 HydrophobicContact CG2-CG1 4.47Å; V162-I242 WeakPolarHBondContact O-CA 3.35Å; V164-I242 HydrophobicContact CG2-CG2 3.98Å; L225-I242 HydrophobicContact CD2-CG2 4.42Å; V228-I242 HydrophobicContact CG1-CD1 3.9Å; V228-I242 HydrophobicContact CG1-CG1 4.36Å; P239-I242 HydrophobicContact CB-CD1 4.27Å; P239-I242 WeakPolarHBondContact O-CD1 3.34Å; I242-L266 WeakPolarHBondContact CD1-O 3.44Å; I242-F267 HydrophobicContact CB-CB 4.1Å; I242-F267 HydrophobicContact CG2-CB 3.67Å; I242-Q268 PolarHBondContact O-N 3.48Å; I242-Q268 PolarHBondContact O-OE1 2.72Å; I242-R269 PolarHBondContact O-N 3.27Å
243	T	98.9	Very high	97.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.3	174.3	-58.3	0	0	0	0	108.5	V162 M163 V164 R269 I271 F524 A525	V162-T243 PolarHBondContact O-N 2.76Å; M163-T243 CarbonylContact C-O 3.57Å; M163-T243 WeakPolarHBondContact CA-O 3.33Å; V164-T243 PolarHBondContact N-O 3.19Å; T243-R269 WeakPolarHBondContact CA-O 3.4Å; T243-R269 HydrophobicContact CG2-CB 3.84Å; T243-I271 HydrophobicContact CG2-CD1 4.08Å; T243-I271 HydrophobicContact CG2-CG1 3.91Å; T243-F524 HydrophobicContact CG2-CD1 4.47Å; T243-A525 HydrophobicContact CG2-CB 4.31Å; T243-A525 VanDerWaalsContact OG1-CA 3.31Å; T243-A525 WeakPolarHBondContact OG1-CA 3.3Å; T243-A525 WeakPolarHBondContact OG1-CB 3.3Å
244	V	98.9	Very high	97.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	137.7	175.8	-160.6	0	0	0	0	108.7	V164 I166 L225 V254 F267 R269 A270 I271	V164-V244 HydrophobicContact CB-CG1 4.44Å; V164-V244 CarbonylContact O-C 3.56Å; V164-V244 WeakPolarHBondContact O-CA 3.17Å; V164-V244 WeakPolarHBondContact O-CG1 3.4Å; I166-V244 HydrophobicContact CD1-CG1 3.61Å; I166-V244 HydrophobicContact CG1-CG1 3.95Å; L225-V244 HydrophobicContact CD1-CG2 4.25Å; L225-V244 HydrophobicContact CD2-CG2 3.64Å; V244-V254 HydrophobicContact CB-CG2 4.37Å; V244-V254 HydrophobicContact CG1-CG2 3.81Å; V244-F267 HydrophobicContact CG2-CB 3.6Å; V244-F267 HydrophobicContact CG2-CD1 3.6Å; V244-F267 HydrophobicContact CG2-CD2 3.75Å; V244-F267 HydrophobicContact CG2-CE1 4.12Å; V244-F267 HydrophobicContact CG2-CE2 4.27Å; V244-F267 HydrophobicContact CG2-CG 3.39Å; V244-F267 HydrophobicContact CG2-CZ 4.43Å; V244-R269 PolarHBondContact N-O 3.07Å; V244-A270 CarbonylContact O-C 3.59Å; V244-A270 VanDerWaalsContact O-CA 3.31Å; V244-A270 WeakPolarHBondContact O-CA 3.42Å; V244-I271 PolarHBondContact O-N 3.35Å
245	F	98.9	Very high	97.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	156.3	179.2	72.2	-60	0	0	0	112.5	M163 V164 Y165 I166 L184 I271 V490 F491	M163-F245 HydrophobicContact CB-CD1 4.23Å; M163-F245 HydrophobicContact CB-CE1 3.71Å; M163-F245 HydrophobicContact CB-CZ 4.44Å; M163-F245 HydrophobicContact CE-CD1 4.23Å; M163-F245 HydrophobicContact CE-CD2 4.49Å; M163-F245 HydrophobicContact CE-CE1 4.18Å; M163-F245 HydrophobicContact CE-CE2 4.42Å; M163-F245 HydrophobicContact CE-CG 4.41Å; M163-F245 HydrophobicContact CE-CZ 4.26Å; V164-F245 WeakPolarHBondContact O-CD1 3.3Å; V164-F245 PolarHBondContact O-N 2.93Å; Y165-F245 CarbonylContact C-O 3.55Å; Y165-F245 VanDerWaalsContact CA-O 3.3Å; Y165-F245 WeakPolarHBondContact CA-O 3.41Å; Y165-F245 HydrophobicContact CD2-CD1 4.25Å; Y165-F245 AromaticContact CD2-CD2 3.71Å; Y165-F245 HydrophobicContact CD2-CD2 3.71Å; Y165-F245 HydrophobicContact CD2-CE1 4.15Å; Y165-F245 AromaticContact CD2-CE2 3.63Å; Y165-F245 HydrophobicContact CD2-CE2 3.63Å; Y165-F245 HydrophobicContact CD2-CG 4.03Å; Y165-F245 AromaticContact CD2-CZ 3.85Å; Y165-F245 HydrophobicContact CD2-CZ 3.85Å; Y165-F245 WeakPolarHBondContact CD2-O 3.38Å; Y165-F245 HydrophobicContact CE2-CD2 4.29Å; Y165-F245 HydrophobicContact CE2-CE2 4.31Å; Y165-F245 HydrophobicContact CG-CE1 4.39Å; Y165-F245 HydrophobicContact CG-CE2 4.42Å; Y165-F245 HydrophobicContact CG-CZ 4.23Å; I166-F245 PolarHBondContact N-O 3.31Å; L184-F245 HydrophobicContact CD2-CE2 4.34Å; L184-F245 HydrophobicContact CD2-CZ 3.91Å; F245-I271 VanDerWaalsContact CA-O 3.27Å; F245-I271 WeakPolarHBondContact CA-O 3.3Å; F245-I271 HydrophobicContact CB-CB 3.68Å; F245-I271 HydrophobicContact CB-CD1 4.44Å; F245-I271 HydrophobicContact CB-CG1 4.27Å; F245-V490 HydrophobicContact CD2-CG1 4.42Å; F245-V490 HydrophobicContact CE2-CG1 3.88Å; F245-F491 HydrophobicContact CE2-CE1 4.09Å; F245-F491 HydrophobicContact CE2-CE2 4.04Å; F245-F491 AromaticContact CE2-CZ 3.43Å; F245-F491 HydrophobicContact CE2-CZ 3.43Å; F245-F491 VanDerWaalsContact CE2-CZ 3.43Å; F245-F491 AromaticContact CZ-CE1 3.81Å; F245-F491 HydrophobicContact CZ-CE1 3.81Å; F245-F491 AromaticContact CZ-CZ 3.5Å; F245-F491 HydrophobicContact CZ-CZ 3.5Å; F245-F491 VanDerWaalsContact CZ-CZ 3.5Å
246	G	98.6	Very high	97.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	166.4	-179.4	0	0	0	0	0	111.4	I166 A251 I271 Q273	I166-G246 VanDerWaalsContact O-CA 3.3Å; I166-G246 WeakPolarHBondContact O-CA 3.44Å; G246-A251 WeakPolarHBondContact O-CB 3.36Å; G246-I271 PolarHBondContact N-O 2.82Å; G246-Q273 VanDerWaalsContact O-CB 3.27Å; G246-Q273 WeakPolarHBondContact O-CB 3.39Å; G246-Q273 PolarHBondContact O-N 2.65Å; G246-Q273 VanDerWaalsContact O-N 3.11Å
247	S	97.9	Very high	98	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.007	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.3	176.3	176.5	0	0	0	0	110.9	I249 G250 Q273 E486	S247-I249 PolarHBondContact O-N 2.84Å; S247-G250 WeakPolarHBondContact O-CA 3.48Å; S247-G250 PolarHBondContact O-N 3.01Å; S247-Q273 CarbonylContact C-O 3.52Å; S247-Q273 VanDerWaalsContact CA-O 3.32Å; S247-Q273 WeakPolarHBondContact CA-O 3.28Å; S247-E486 PolarHBondContact OG-OE1 3.24Å; S247-E486 VanDerWaalsContact OG-OE1 3.12Å
248	G	96.4	Very high	98.1	Very high	3 Å²	3	13.8 Å²	13.8	3%	0.031	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	-127.3	179.6	0	0	0	0	0	111.3	G250 A251 S252 Q273 S274 H483	G248-G250 PolarHBondContact O-N 3.45Å; G248-A251 WeakPolarHBondContact O-CA 3.28Å; G248-A251 VanDerWaalsContact O-CB 3.27Å; G248-A251 WeakPolarHBondContact O-CB 3.44Å; G248-A251 PolarHBondContact O-N 3.5Å; G248-S252 PolarHBondContact O-N 3.43Å; G248-S252 VanDerWaalsContact O-N 3.08Å; G248-Q273 PolarHBondContact N-O 2.94Å; G248-S274 WeakPolarHBondContact CA-O 3.34Å; G248-H483 VanDerWaalsContact CA-CE1 3.5Å; G248-H483 WeakPolarHBondContact CA-CE1 3.49Å; G248-H483 WeakPolarHBondContact CA-NE2 3.26Å
249	I	95.6	Very high	98.1	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.015	6%	0.056	C	C	.	.	H	α-helix	trans	-56.9	-28.9	171.3	-69.5	-55.6	0	0	0	113.1	G169 Y171 S247 A251 S252 C253 W281	G169-I249 VanDerWaalsContact O-CB 3.31Å; G169-I249 WeakPolarHBondContact O-CB 3.32Å; G169-I249 WeakPolarHBondContact O-CG1 3.18Å; Y171-I249 HydrophobicContact CD1-CG2 3.37Å; Y171-I249 HydrophobicContact CD2-CD1 4.23Å; Y171-I249 HydrophobicContact CD2-CG2 3.91Å; Y171-I249 HydrophobicContact CE1-CG2 3.32Å; Y171-I249 HydrophobicContact CE2-CD1 3.78Å; Y171-I249 HydrophobicContact CE2-CG2 3.89Å; Y171-I249 HydrophobicContact CG-CG2 3.67Å; S247-I249 PolarHBondContact O-N 2.84Å; I249-A251 PolarHBondContact O-N 3.48Å; I249-S252 WeakPolarHBondContact O-CB 3.33Å; I249-S252 PolarHBondContact O-N 3.38Å; I249-C253 PolarHBondContact O-N 3.49Å; I249-C253 PolarHBondContact O-SG 3.04Å; I249-C253 VanDerWaalsContact O-SG 3.35Å; I249-W281 HydrophobicContact CD1-CG 4.47Å
250	G	98	Very high	98.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-64.6	-31.2	172.7	0	0	0	0	0	112.4	H167 S247 G248 C253 V254	H167-G250 WeakPolarHBondContact O-CA 3.31Å; S247-G250 WeakPolarHBondContact O-CA 3.48Å; S247-G250 PolarHBondContact O-N 3.01Å; G248-G250 PolarHBondContact O-N 3.45Å; G250-C253 WeakPolarHBondContact O-CB 3.23Å; G250-V254 WeakPolarHBondContact O-CG2 3.3Å; G250-V254 PolarHBondContact O-N 3.29Å; G250-V254 VanDerWaalsContact O-N 3.13Å
251	A	98.5	Very high	98	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-76.8	-34.6	172.8	0	0	0	0	0	112.2	G246 G248 I249 V254 S255 I272 Q273	G246-A251 WeakPolarHBondContact O-CB 3.36Å; G248-A251 WeakPolarHBondContact O-CA 3.28Å; G248-A251 VanDerWaalsContact O-CB 3.27Å; G248-A251 WeakPolarHBondContact O-CB 3.44Å; G248-A251 PolarHBondContact O-N 3.5Å; I249-A251 PolarHBondContact O-N 3.48Å; A251-V254 PolarHBondContact O-N 3Å; A251-S255 WeakPolarHBondContact O-CB 3.36Å; A251-S255 PolarHBondContact O-N 3.3Å; A251-I272 HydrophobicContact CB-CB 4.47Å; A251-I272 HydrophobicContact CB-CG2 3.82Å; A251-Q273 WeakPolarHBondContact CB-O 3.3Å
252	S	98.5	Very high	97.9	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-60.6	-43.6	168.5	-64.1	0	0	0	0	111.6	G248 I249 S255 L256 S276	G248-S252 PolarHBondContact O-N 3.43Å; G248-S252 VanDerWaalsContact O-N 3.08Å; I249-S252 WeakPolarHBondContact O-CB 3.33Å; I249-S252 PolarHBondContact O-N 3.38Å; S252-S255 PolarHBondContact O-N 3.5Å; S252-L256 WeakPolarHBondContact O-CB 3.45Å; S252-L256 WeakPolarHBondContact O-CG 3.28Å; S252-L256 PolarHBondContact O-N 3.46Å; S252-S276 WeakPolarHBondContact CB-O 3.39Å; S252-S276 PolarHBondContact OG-O 3.2Å
253	C	98.8	Very high	97.8	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-54.4	-52.4	170.1	-69	0	0	0	0	111.5	I166 L218 Q221 I249 G250 S255 L256 L257	I166-C253 HydrophobicContact CD1-CB 4.5Å; I166-C253 HydrophobicContact CG2-CB 3.82Å; L218-C253 HydrophobicContact CD2-CB 4.41Å; Q221-C253 PolarHBondContact NE2-SG 2.8Å; Q221-C253 VanDerWaalsContact NE2-SG 3.37Å; I249-C253 PolarHBondContact O-N 3.49Å; I249-C253 PolarHBondContact O-SG 3.04Å; I249-C253 VanDerWaalsContact O-SG 3.35Å; G250-C253 WeakPolarHBondContact O-CB 3.23Å; C253-S255 VanDerWaalsContact C-N 3.33Å; C253-S255 PolarHBondContact O-N 3.36Å; C253-L256 PolarHBondContact O-N 3Å; C253-L257 VanDerWaalsContact O-CG 3.28Å; C253-L257 WeakPolarHBondContact O-CG 3.4Å; C253-L257 PolarHBondContact O-N 3.36Å
254	V	98.8	Very high	97.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-58.5	-43.1	178.3	172.9	0	0	0	0	111.9	I166 V244 G250 A251 L257 T258 A270 I272	I166-V254 HydrophobicContact CD1-CG2 4.05Å; V244-V254 HydrophobicContact CB-CG2 4.37Å; V244-V254 HydrophobicContact CG1-CG2 3.81Å; G250-V254 WeakPolarHBondContact O-CG2 3.3Å; G250-V254 PolarHBondContact O-N 3.29Å; G250-V254 VanDerWaalsContact O-N 3.13Å; A251-V254 PolarHBondContact O-N 3Å; V254-L257 PolarHBondContact O-N 2.87Å; V254-T258 PolarHBondContact O-N 2.99Å; V254-T258 VanDerWaalsContact O-N 3.08Å; V254-A270 HydrophobicContact CG1-CB 3.61Å; V254-I272 HydrophobicContact CB-CG1 4.37Å; V254-I272 HydrophobicContact CG1-CD1 4.46Å; V254-I272 HydrophobicContact CG1-CG1 3.79Å
255	S	98.4	Very high	97.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.7	-43.6	176.7	-168.2	0	0	0	0	112	A251 S252 C253 T258 A277	A251-S255 WeakPolarHBondContact O-CB 3.36Å; A251-S255 PolarHBondContact O-N 3.3Å; S252-S255 PolarHBondContact O-N 3.5Å; C253-S255 VanDerWaalsContact C-N 3.33Å; C253-S255 PolarHBondContact O-N 3.36Å; S255-T258 PolarHBondContact O-N 2.68Å; S255-T258 PolarHBondContact O-OG1 3.07Å; S255-A277 WeakPolarHBondContact OG-CB 3.48Å; S255-A277 PolarHBondContact OG-N 3.28Å
256	L	98.6	Very high	97.3	Very high	1 Å²	1	17 Å²	17	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-67.3	-37.4	176.8	-71.6	165.9	0	0	0	112	L218 S252 C253 T258 L259 S260 A277 V283 P336 I343 P347	L218-L256 HydrophobicContact CD1-CB 4.43Å; S252-L256 WeakPolarHBondContact O-CB 3.45Å; S252-L256 WeakPolarHBondContact O-CG 3.28Å; S252-L256 PolarHBondContact O-N 3.46Å; C253-L256 PolarHBondContact O-N 3Å; L256-T258 VanDerWaalsContact C-N 3.31Å; L256-T258 PolarHBondContact O-N 3.41Å; L256-L259 PolarHBondContact O-N 2.8Å; L256-S260 PolarHBondContact O-N 3.47Å; L256-A277 HydrophobicContact CD2-CB 3.7Å; L256-A277 HydrophobicContact CG-CB 3.86Å; L256-V283 HydrophobicContact CD2-CG2 4.15Å; L256-P336 HydrophobicContact CD1-CB 3.68Å; L256-P336 HydrophobicContact CD1-CG 3.61Å; L256-I343 HydrophobicContact CB-CD1 4.02Å; L256-I343 HydrophobicContact CD2-CD1 3.88Å; L256-P347 HydrophobicContact CD2-CG 3.88Å
257	L	98.6	Very high	97.3	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-63.1	-35.6	174.5	-70.7	173	0	0	0	112.2	I166 Q221 I222 L225 C253 V254 L259 S260 S263 F267	I166-L257 HydrophobicContact CD1-CD1 3.41Å; I166-L257 VanDerWaalsContact CD1-CD1 3.41Å; Q221-L257 HydrophobicContact CB-CD1 4.2Å; I222-L257 HydrophobicContact CD1-CD2 3.91Å; I222-L257 HydrophobicContact CG1-CD2 3.45Å; I222-L257 VanDerWaalsContact CG1-CD2 3.45Å; L225-L257 HydrophobicContact CD1-CD1 4.1Å; C253-L257 VanDerWaalsContact O-CG 3.28Å; C253-L257 WeakPolarHBondContact O-CG 3.4Å; C253-L257 PolarHBondContact O-N 3.36Å; V254-L257 PolarHBondContact O-N 2.87Å; L257-L259 PolarHBondContact O-N 3.45Å; L257-S260 PolarHBondContact O-N 3.05Å; L257-S263 WeakPolarHBondContact O-CB 3.32Å; L257-S263 PolarHBondContact O-OG 2.88Å; L257-F267 HydrophobicContact CB-CE1 4.25Å; L257-F267 HydrophobicContact CB-CZ 4.26Å
258	T	97.9	Very high	97.3	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.018	11%	0.108	C	C	.	.	H	α-helix	trans	-67.1	-19	173.7	61.7	0	0	0	0	113.9	V254 S255 L256 F267 A270 F356 Y359	V254-T258 PolarHBondContact O-N 2.99Å; V254-T258 VanDerWaalsContact O-N 3.08Å; S255-T258 PolarHBondContact O-N 2.68Å; S255-T258 PolarHBondContact O-OG1 3.07Å; L256-T258 VanDerWaalsContact C-N 3.31Å; L256-T258 PolarHBondContact O-N 3.41Å; T258-F267 HydrophobicContact CG2-CE2 3.89Å; T258-F267 HydrophobicContact CG2-CZ 3.93Å; T258-A270 HydrophobicContact CG2-CB 3.94Å; T258-F356 VanDerWaalsContact O-CA 3.28Å; T258-F356 WeakPolarHBondContact O-CA 3.39Å; T258-F356 WeakPolarHBondContact O-CB 3.48Å; T258-Y359 HydrophobicContact CG2-CD2 3.77Å; T258-Y359 HydrophobicContact CG2-CE2 4.05Å; T258-Y359 HydrophobicContact CG2-CG 4.26Å; T258-Y359 WeakPolarHBondContact O-CE2 3.31Å
259	L	97.5	Very high	97.4	Very high	5 Å²	5	20.5 Å²	20.5	3%	0.026	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	0.9	178.6	-61.8	166.4	0	0	0	113	L256 L257 A277 P347 L350 M351 F356	L256-L259 PolarHBondContact O-N 2.8Å; L257-L259 PolarHBondContact O-N 3.45Å; L259-A277 HydrophobicContact CD1-CB 4.13Å; L259-P347 HydrophobicContact CD1-CB 3.89Å; L259-L350 HydrophobicContact CB-CB 4.39Å; L259-L350 HydrophobicContact CB-CD1 4.13Å; L259-L350 HydrophobicContact CD2-CB 3.8Å; L259-L350 HydrophobicContact CG-CB 4.46Å; L259-M351 HydrophobicContact CD1-CE 3.93Å; L259-M351 HydrophobicContact CD1-CG 4.13Å; L259-M351 HydrophobicContact CD2-CG 3.72Å; L259-F356 HydrophobicContact CD2-CB 3.73Å; L259-F356 HydrophobicContact CD2-CD1 4.32Å; L259-F356 HydrophobicContact CD2-CD2 4.3Å; L259-F356 HydrophobicContact CD2-CG 3.89Å; L259-F356 HydrophobicContact CG-CB 4.4Å
260	S	97.2	Very high	97.5	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.021	11%	0.111	C	C	.	.			trans	-105	120	-175.7	-172.1	0	0	0	0	111.7	L256 L257 H262 S263 V342	L256-S260 PolarHBondContact O-N 3.47Å; L257-S260 PolarHBondContact O-N 3.05Å; S260-H262 PolarHBondContact O-N 3.28Å; S260-H262 VanDerWaalsContact O-N 3.12Å; S260-S263 VanDerWaalsContact O-CB 3.3Å; S260-S263 WeakPolarHBondContact O-CB 3.45Å; S260-S263 PolarHBondContact O-N 3.38Å; S260-V342 WeakPolarHBondContact CB-O 3.47Å; S260-V342 PolarHBondContact OG-O 3.32Å
261	H	95.5	Very high	97.6	Very high	95 Å²	95	20.4 Å²	20.4	44%	0.44	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-57.6	-26.8	176.9	78.5	-91.5	0	0	0	112.9	S263 E264 D341	H261-S263 PolarHBondContact O-N 3Å; H261-S263 VanDerWaalsContact O-N 3.16Å; H261-E264 PolarHBondContact O-N 3.48Å; H261-D341 PolarHBondContact CE1-O 2.99Å; H261-D341 IonicContact CE1-OD1 2.73Å; H261-D341 PolarHBondContact ND1-O 2.93Å; H261-D341 VanDerWaalsContact ND1-O 3.17Å
262	H	96.4	Very high	97.6	Very high	46 Å²	46	20.4 Å²	20.4	21%	0.213	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-63.9	-16.6	174.8	-77.5	-89.9	0	0	0	114.4	I222 R226 S260 D341	I222-H262 HydrophobicContact CD1-CB 3.86Å; I222-H262 HydrophobicContact CG2-CB 4.33Å; R226-H262 PolarHBondContact NH2-O 2.98Å; S260-H262 PolarHBondContact O-N 3.28Å; S260-H262 VanDerWaalsContact O-N 3.12Å; H262-D341 IonicContact CD2-OD1 2.92Å; H262-D341 IonicContact CE1-OD1 3.28Å; H262-D341 IonicContact NE2-OD1 2.61Å; H262-D341 PolarHBondContact NE2-OD1 3.47Å
263	S	96	Very high	97.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-93.5	-10.1	-179.4	-56.5	0	0	0	0	114.4	L257 S260 H261 G265 L266	L257-S263 WeakPolarHBondContact O-CB 3.32Å; L257-S263 PolarHBondContact O-OG 2.88Å; S260-S263 VanDerWaalsContact O-CB 3.3Å; S260-S263 WeakPolarHBondContact O-CB 3.45Å; S260-S263 PolarHBondContact O-N 3.38Å; H261-S263 PolarHBondContact O-N 3Å; H261-S263 VanDerWaalsContact O-N 3.16Å; S263-G265 PolarHBondContact O-N 3.33Å; S263-L266 WeakPolarHBondContact O-CB 3.33Å; S263-L266 WeakPolarHBondContact O-CG 3.22Å; S263-L266 PolarHBondContact O-N 2.94Å; S263-L266 VanDerWaalsContact O-N 3.09Å
264	E	93.9	Very high	97.6	Very high	116 Å²	116	20.4 Å²	20.4	54%	0.542	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	131.5	-172	-77.2	-179.6	-133.5	0	0	112.8	H261 L266	H261-E264 PolarHBondContact O-N 3.48Å; E264-L266 PolarHBondContact O-N 3.06Å; E264-L266 VanDerWaalsContact O-N 3.09Å
265	G	94.1	Very high	97.5	Very high	59 Å²	59	20.4 Å²	20.4	61%	0.608	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	-8.2	179.9	0	0	0	0	0	115.8	S263 F267	S263-G265 PolarHBondContact O-N 3.33Å; G265-F267 VanDerWaalsContact C-N 3.35Å
266	L	97.8	Very high	97.4	Very high	22 Å²	22	20.4 Å²	20.4	12%	0.115	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-27.2	179	-55.9	-174	0	0	0	113	I222 L225 R226 I242 S263 E264	I222-L266 HydrophobicContact CG2-CD1 3.98Å; L225-L266 HydrophobicContact CB-CB 4.12Å; L225-L266 HydrophobicContact CB-CD1 4.03Å; R226-L266 HydrophobicContact CG-CD1 3.67Å; R226-L266 HydrophobicContact CG-CD2 3.68Å; R226-L266 HydrophobicContact CG-CG 4.35Å; I242-L266 WeakPolarHBondContact CD1-O 3.44Å; S263-L266 WeakPolarHBondContact O-CB 3.33Å; S263-L266 WeakPolarHBondContact O-CG 3.22Å; S263-L266 PolarHBondContact O-N 2.94Å; S263-L266 VanDerWaalsContact O-N 3.09Å; E264-L266 PolarHBondContact O-N 3.06Å; E264-L266 VanDerWaalsContact O-N 3.09Å
267	F	98.4	Very high	97.4	Very high	3 Å²	3	20.4 Å²	20.4	1%	0.013	11%	0.111	C	C	.	.			trans	-145.8	171.2	173.5	64.6	-91.2	0	0	0	110.8	L225 I242 V244 L257 T258 G265 R269 Y359	L225-F267 HydrophobicContact CD1-CD1 4Å; L225-F267 HydrophobicContact CD1-CE1 4.2Å; I242-F267 HydrophobicContact CB-CB 4.1Å; I242-F267 HydrophobicContact CG2-CB 3.67Å; V244-F267 HydrophobicContact CG2-CB 3.6Å; V244-F267 HydrophobicContact CG2-CD1 3.6Å; V244-F267 HydrophobicContact CG2-CD2 3.75Å; V244-F267 HydrophobicContact CG2-CE1 4.12Å; V244-F267 HydrophobicContact CG2-CE2 4.27Å; V244-F267 HydrophobicContact CG2-CG 3.39Å; V244-F267 HydrophobicContact CG2-CZ 4.43Å; L257-F267 HydrophobicContact CB-CE1 4.25Å; L257-F267 HydrophobicContact CB-CZ 4.26Å; T258-F267 HydrophobicContact CG2-CE2 3.89Å; T258-F267 HydrophobicContact CG2-CZ 3.93Å; G265-F267 VanDerWaalsContact C-N 3.35Å; F267-R269 WeakPolarHBondContact CD2-O 3.46Å; F267-Y359 AromaticContact CD2-CD1 3.77Å; F267-Y359 HydrophobicContact CD2-CD1 3.77Å; F267-Y359 AromaticContact CD2-CE1 3.74Å; F267-Y359 HydrophobicContact CD2-CE1 3.74Å; F267-Y359 AromaticContact CE2-CD1 3.58Å; F267-Y359 HydrophobicContact CE2-CD1 3.58Å; F267-Y359 AromaticContact CE2-CE1 3.49Å; F267-Y359 HydrophobicContact CE2-CE1 3.49Å; F267-Y359 VanDerWaalsContact CE2-CE1 3.49Å; F267-Y359 HydrophobicContact CE2-CG 4.18Å; F267-Y359 HydrophobicContact CG-CE1 4.37Å; F267-Y359 HydrophobicContact CZ-CD1 4.44Å; F267-Y359 AromaticContact CZ-CE1 3.95Å; F267-Y359 HydrophobicContact CZ-CE1 3.95Å
268	Q	97.8	Very high	97.3	Very high	44 Å²	44	22.4 Å²	22.4	21%	0.206	12%	0.121	C	C	.	.	S	Bend	trans	-126.1	-12.3	-174.9	-57.6	81.4	39.2	0	0	113.3	P239 R240 I242 Y359 D360	P239-Q268 PolarHBondContact O-NE2 2.84Å; R240-Q268 PolarHBondContact O-OE1 2.84Å; I242-Q268 PolarHBondContact O-N 3.48Å; I242-Q268 PolarHBondContact O-OE1 2.72Å; Q268-Y359 WeakPolarHBondContact O-CA 3.3Å; Q268-D360 PolarHBondContact O-N 3.43Å
269	R	98.6	Very high	97.2	Very high	30 Å²	30	22.5 Å²	22.5	11%	0.113	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	150	-177.3	-49.6	-168.8	163.6	84	28.3	112.7	I242 T243 V244 F267 D360 F524 A525 G528	I242-R269 PolarHBondContact O-N 3.27Å; T243-R269 WeakPolarHBondContact CA-O 3.4Å; T243-R269 HydrophobicContact CG2-CB 3.84Å; V244-R269 PolarHBondContact N-O 3.07Å; F267-R269 WeakPolarHBondContact CD2-O 3.46Å; R269-D360 CarbonylContact C-O 3.51Å; R269-D360 VanDerWaalsContact CA-O 3.25Å; R269-D360 WeakPolarHBondContact CA-O 3.16Å; R269-D360 HydrophobicContact CB-CB 4.37Å; R269-D360 HydrophobicContact CG-CB 3.93Å; R269-D360 IonicContact CZ-OD2 3.47Å; R269-D360 VanDerWaalsContact CZ-OD2 3.28Å; R269-D360 IonicContact NE-OD2 2.74Å; R269-D360 PolarHBondContact NE-OD2 3.48Å; R269-D360 IonicContact NH2-OD2 3.38Å; R269-D360 PolarHBondContact NH2-OD2 2.89Å; R269-F524 HydrophobicContact CB-CE1 3.94Å; R269-F524 HydrophobicContact CB-CZ 4.35Å; R269-F524 WeakPolarHBondContact CD-O 3.19Å; R269-F524 PolarHBondContact NE-O 3.43Å; R269-A525 PolarHBondContact NH1-O 2.64Å; R269-G528 VanDerWaalsContact CZ-N 3.34Å
270	A	98.8	Very high	97.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	139.8	172.7	0	0	0	0	0	111.7	V244 V254 T258 I272 D360 I361 M362 F524	V244-A270 CarbonylContact O-C 3.59Å; V244-A270 VanDerWaalsContact O-CA 3.31Å; V244-A270 WeakPolarHBondContact O-CA 3.42Å; V254-A270 HydrophobicContact CG1-CB 3.61Å; T258-A270 HydrophobicContact CG2-CB 3.94Å; A270-I272 HydrophobicContact CB-CD1 4.38Å; A270-I272 HydrophobicContact CB-CG1 4.25Å; A270-D360 PolarHBondContact N-O 2.83Å; A270-I361 HydrophobicContact CB-CG1 4.22Å; A270-I361 WeakPolarHBondContact O-CA 3.26Å; A270-M362 PolarHBondContact O-N 3.15Å; A270-F524 WeakPolarHBondContact O-CE1 3.41Å
271	I	98.9	Very high	96.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	112.9	162.7	-45.2	176.4	0	0	0	109.1	M163 T243 V244 F245 G246 Q273 M362 W521 F524	M163-I271 HydrophobicContact CE-CD1 3.97Å; T243-I271 HydrophobicContact CG2-CD1 4.08Å; T243-I271 HydrophobicContact CG2-CG1 3.91Å; V244-I271 PolarHBondContact O-N 3.35Å; F245-I271 VanDerWaalsContact CA-O 3.27Å; F245-I271 WeakPolarHBondContact CA-O 3.3Å; F245-I271 HydrophobicContact CB-CB 3.68Å; F245-I271 HydrophobicContact CB-CD1 4.44Å; F245-I271 HydrophobicContact CB-CG1 4.27Å; G246-I271 PolarHBondContact N-O 2.82Å; I271-Q273 HydrophobicContact CG2-CG 4.15Å; I271-M362 CarbonylContact C-O 3.45Å; I271-M362 VanDerWaalsContact CA-O 3.27Å; I271-M362 WeakPolarHBondContact CA-O 3.33Å; I271-M362 HydrophobicContact CB-CB 4.48Å; I271-M362 HydrophobicContact CD1-SD 4.37Å; I271-M362 HydrophobicContact CG1-CB 4.25Å; I271-M362 HydrophobicContact CG1-SD 4.49Å; I271-M362 HydrophobicContact CG2-CB 4.08Å; I271-M362 HydrophobicContact CG2-CG 4.01Å; I271-M362 HydrophobicContact CG2-SD 3.79Å; I271-W521 HydrophobicContact CD1-CB 4.38Å; I271-W521 HydrophobicContact CD1-CG 4.01Å; I271-W521 HydrophobicContact CG2-CZ2 4.49Å; I271-F524 HydrophobicContact CD1-CD1 3.89Å; I271-F524 HydrophobicContact CD1-CE1 4.46Å; I271-F524 HydrophobicContact CG1-CD1 3.7Å; I271-F524 HydrophobicContact CG1-CE1 3.77Å
272	I	98.8	Very high	97	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	94.6	-170.8	-60.6	173.5	0	0	0	108	A251 V254 A270 G275 I361 M362 L363 G364	A251-I272 HydrophobicContact CB-CB 4.47Å; A251-I272 HydrophobicContact CB-CG2 3.82Å; V254-I272 HydrophobicContact CB-CG1 4.37Å; V254-I272 HydrophobicContact CG1-CD1 4.46Å; V254-I272 HydrophobicContact CG1-CG1 3.79Å; A270-I272 HydrophobicContact CB-CD1 4.38Å; A270-I272 HydrophobicContact CB-CG1 4.25Å; I272-G275 WeakPolarHBondContact CG2-O 3.21Å; I272-I361 HydrophobicContact CD1-CG2 4.05Å; I272-M362 PolarHBondContact N-O 3.27Å; I272-L363 HydrophobicContact CB-CB 3.9Å; I272-L363 HydrophobicContact CG2-CB 4.46Å; I272-L363 VanDerWaalsContact O-CA 3.27Å; I272-L363 WeakPolarHBondContact O-CA 3.33Å; I272-L363 WeakPolarHBondContact O-CB 3.41Å; I272-G364 PolarHBondContact O-N 2.83Å
273	Q	98.8	Very high	97	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	118.7	-176.9	-54.1	170	-159.4	0	0	110.9	G246 S247 G248 A251 I271 G275 Y464 E486 W521	G246-Q273 VanDerWaalsContact O-CB 3.27Å; G246-Q273 WeakPolarHBondContact O-CB 3.39Å; G246-Q273 PolarHBondContact O-N 2.65Å; G246-Q273 VanDerWaalsContact O-N 3.11Å; S247-Q273 CarbonylContact C-O 3.52Å; S247-Q273 VanDerWaalsContact CA-O 3.32Å; S247-Q273 WeakPolarHBondContact CA-O 3.28Å; G248-Q273 PolarHBondContact N-O 2.94Å; A251-Q273 WeakPolarHBondContact CB-O 3.3Å; I271-Q273 HydrophobicContact CG2-CG 4.15Å; Q273-G275 VanDerWaalsContact C-N 3.34Å; Q273-G275 PolarHBondContact O-N 2.86Å; Q273-Y464 WeakPolarHBondContact CA-OH 3.24Å; Q273-Y464 WeakPolarHBondContact CB-OH 3.46Å; Q273-Y464 WeakPolarHBondContact CG-OH 3.3Å; Q273-E486 PolarHBondContact NE2-OE1 3.34Å; Q273-W521 HydrophobicContact CG-CZ2 4.35Å
274	S	98	Very high	97.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	52.8	47.1	171.2	-63.5	0	0	0	0	113.6	G248 G364 E369 W443 H483	G248-S274 WeakPolarHBondContact CA-O 3.34Å; S274-G364 PolarHBondContact N-O 3.29Å; S274-E369 WeakPolarHBondContact CB-OE1 3.17Å; S274-E369 PolarHBondContact OG-OE1 3.32Å; S274-W443 VanDerWaalsContact C-CD1 3.48Å; S274-W443 PolarHBondContact O-NE1 3.38Å; S274-W443 VanDerWaalsContact O-NE1 3.15Å; S274-H483 PolarHBondContact O-CE1 3.08Å
275	G	96.8	Very high	97.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.097	C	C	.	.			trans	-172.1	171.3	176.4	0	0	0	0	0	112.6	I272 Q273	I272-G275 WeakPolarHBondContact CG2-O 3.21Å; Q273-G275 VanDerWaalsContact C-N 3.34Å; Q273-G275 PolarHBondContact O-N 2.86Å
276	S	97	Very high	97.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.09	C	C	.	.			trans	-159.6	163.6	177.1	174.2	0	0	0	0	109.2	S252 L278 A282 T450	S252-S276 WeakPolarHBondContact CB-O 3.39Å; S252-S276 PolarHBondContact OG-O 3.2Å; S276-L278 PolarHBondContact O-N 2.91Å; S276-L278 PolarHBondContact OG-N 3.38Å; S276-L278 VanDerWaalsContact OG-N 3.07Å; S276-A282 WeakPolarHBondContact O-CB 3.32Å; S276-T450 PolarHBondContact OG-OG1 2.79Å
277	A	97.7	Very high	97.4	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.008	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-14	165.5	0	0	0	0	0	113.3	S255 L256 L259 A282 P347 M351	S255-A277 WeakPolarHBondContact OG-CB 3.48Å; S255-A277 PolarHBondContact OG-N 3.28Å; L256-A277 HydrophobicContact CD2-CB 3.7Å; L256-A277 HydrophobicContact CG-CB 3.86Å; L259-A277 HydrophobicContact CD1-CB 4.13Å; A277-A282 WeakPolarHBondContact O-CB 3.29Å; A277-P347 HydrophobicContact CB-CB 3.69Å; A277-P347 HydrophobicContact CB-CG 4.2Å; A277-M351 HydrophobicContact CB-CE 4.04Å
278	L	97.6	Very high	97.3	Very high	42 Å²	42	22.7 Å²	22.7	22%	0.22	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-10.2	-174.2	-52.3	177.2	0	0	0	114.5	S276 P347 E348 M351 P446 V449	S276-L278 PolarHBondContact O-N 2.91Å; S276-L278 PolarHBondContact OG-N 3.38Å; S276-L278 VanDerWaalsContact OG-N 3.07Å; L278-P347 HydrophobicContact CD2-CB 4.12Å; L278-E348 HydrophobicContact CD2-CB 3.85Å; L278-M351 HydrophobicContact CD1-CE 4.35Å; L278-M351 HydrophobicContact CD1-SD 3.97Å; L278-M351 HydrophobicContact CD2-CE 4.2Å; L278-M351 HydrophobicContact CD2-SD 4.28Å; L278-M351 HydrophobicContact CG-CE 4.02Å; L278-M351 HydrophobicContact CG-SD 4.21Å; L278-P446 HydrophobicContact CB-CB 4.15Å; L278-V449 HydrophobicContact CD1-CB 3.93Å; L278-V449 HydrophobicContact CD1-CG1 3.55Å
279	S	95.8	Very high	97.3	Very high	5 Å²	5	25.6 Å²	25.6	4%	0.035	12%	0.123	C	C	.	.	S	Bend	trans	-68.2	147.4	178.3	-56.8	0	0	0	0	111.6	W281 A282 Q442	S279-W281 PolarHBondContact O-N 2.87Å; S279-A282 VanDerWaalsContact O-CB 3.24Å; S279-A282 WeakPolarHBondContact O-CB 3.49Å; S279-A282 PolarHBondContact O-N 2.98Å; S279-Q442 PolarHBondContact OG-O 2.93Å
280	S	94.6	Very high	97.2	Very high	22 Å²	22	24.5 Å²	24.5	15%	0.154	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-18.4	-176.7	66.1	0	0	0	0	116	Y330 H331 Q442	S280-Y330 CarbonylContact C-O 3.35Å; S280-Y330 PolarHBondContact OG-O 3Å; S280-H331 PolarHBondContact O-CD2 3.29Å; S280-Q442 PolarHBondContact OG-NE2 3.24Å
281	W	94.4	Very high	97.2	Very high	6 Å²	6	24.5 Å²	24.5	2%	0.023	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-1.6	177.1	48.4	52.5	0	0	0	114.1	M118 Y171 I249 S279 Y330 V332 F438 Q442 W443	M118-W281 HydrophobicContact CE-CB 4.03Å; M118-W281 HydrophobicContact CE-CE3 3.98Å; M118-W281 HydrophobicContact CG-CD2 4.09Å; M118-W281 HydrophobicContact CG-CE3 3.59Å; M118-W281 HydrophobicContact CG-CZ3 3.83Å; M118-W281 HydrophobicContact SD-CB 3.92Å; M118-W281 HydrophobicContact SD-CD2 4.31Å; M118-W281 HydrophobicContact SD-CE3 4.08Å; M118-W281 HydrophobicContact SD-CG 4.31Å; Y171-W281 WeakPolarHBondContact CE2-O 3.27Å; I249-W281 HydrophobicContact CD1-CG 4.47Å; S279-W281 PolarHBondContact O-N 2.87Å; W281-Y330 PolarHBondContact N-O 3.02Å; W281-V332 HydrophobicContact CB-CG1 4.04Å; W281-V332 WeakPolarHBondContact O-CG1 3.38Å; W281-V332 WeakPolarHBondContact O-CG2 3.43Å; W281-F438 HydrophobicContact CH2-CE1 4.1Å; W281-F438 HydrophobicContact CH2-CZ 4.24Å; W281-F438 HydrophobicContact CZ3-CE1 4.18Å; W281-F438 AromaticContact CZ3-CZ 3.89Å; W281-F438 HydrophobicContact CZ3-CZ 3.89Å; W281-Q442 HydrophobicContact CH2-CB 3.53Å; W281-Q442 HydrophobicContact CH2-CG 3.67Å; W281-Q442 HydrophobicContact CZ2-CB 3.68Å; W281-Q442 HydrophobicContact CZ2-CG 4.26Å; W281-Q442 HydrophobicContact CZ3-CB 4.24Å; W281-Q442 HydrophobicContact CZ3-CG 3.9Å; W281-W443 HydrophobicContact CH2-CE3 4.45Å; W281-W443 AromaticContact CH2-CH2 3.6Å; W281-W443 HydrophobicContact CH2-CH2 3.6Å; W281-W443 AromaticContact CH2-CZ2 3.65Å; W281-W443 HydrophobicContact CH2-CZ2 3.65Å; W281-W443 HydrophobicContact CH2-CZ3 4Å; W281-W443 HydrophobicContact CZ2-CD2 4.18Å; W281-W443 AromaticContact CZ2-CE2 3.68Å; W281-W443 HydrophobicContact CZ2-CH2 4.04Å; W281-W443 AromaticContact CZ2-CZ2 3.62Å; W281-W443 HydrophobicContact CZ2-CZ2 3.62Å; W281-W443 HydrophobicContact CZ2-CZ3 4.44Å
282	A	96.6	Very high	97.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-33.9	-176	0	0	0	0	0	112.8	Y171 S276 A277 S279	Y171-A282 WeakPolarHBondContact CE2-O 3.31Å; Y171-A282 PolarHBondContact OH-O 2.94Å; S276-A282 WeakPolarHBondContact O-CB 3.32Å; A277-A282 WeakPolarHBondContact O-CB 3.29Å; S279-A282 VanDerWaalsContact O-CB 3.24Å; S279-A282 WeakPolarHBondContact O-CB 3.49Å; S279-A282 PolarHBondContact O-N 2.98Å
283	V	97.8	Very high	97	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.012	15%	0.151	C	C	.	.	S	Bend	trans	-130.3	143.2	-176.9	175.6	0	0	0	0	110.6	L256 Y285 P336 I338 P347	L256-V283 HydrophobicContact CD2-CG2 4.15Å; V283-Y285 HydrophobicContact CB-CE2 3.82Å; V283-Y285 HydrophobicContact CG1-CD1 4.35Å; V283-Y285 HydrophobicContact CG1-CD2 4.33Å; V283-Y285 HydrophobicContact CG1-CE1 3.97Å; V283-Y285 HydrophobicContact CG1-CE2 3.94Å; V283-P336 CarbonylContact C-O 3.45Å; V283-P336 WeakPolarHBondContact CA-O 3.38Å; V283-I338 HydrophobicContact CG1-CG1 4.33Å; V283-P347 HydrophobicContact CG2-CG 3.92Å
284	N	97.4	Very high	96.9	Very high	7 Å²	7	29.9 Å²	29.9	4%	0.037	15%	0.151	C	C	.	.			trans	-95.6	102.7	174.5	-179.7	8.9	0	0	0	110.6	Q286 P287 V332 A333 P336 V337	N284-Q286 VanDerWaalsContact C-N 3.29Å; N284-Q286 PolarHBondContact O-N 2.93Å; N284-Q286 PolarHBondContact OD1-N 3.11Å; N284-P287 WeakPolarHBondContact O-CD 3.13Å; N284-V332 HydrophobicContact CB-CG2 4.28Å; N284-A333 PolarHBondContact ND2-O 2.88Å; N284-P336 PolarHBondContact N-O 3.45Å; N284-V337 HydrophobicContact CB-CG1 4.14Å
285	Y	96.5	Very high	96.9	Very high	124 Å²	124	29.9 Å²	29.9	49%	0.486	15%	0.151	S	C	.	.	S	Bend	trans	-83.1	2.8	176.5	-59.2	-85.4	0	0	0	114	V283 I338 D346	V283-Y285 HydrophobicContact CB-CE2 3.82Å; V283-Y285 HydrophobicContact CG1-CD1 4.35Å; V283-Y285 HydrophobicContact CG1-CD2 4.33Å; V283-Y285 HydrophobicContact CG1-CE1 3.97Å; V283-Y285 HydrophobicContact CG1-CE2 3.94Å; Y285-I338 HydrophobicContact CD1-CD1 4.29Å; Y285-I338 HydrophobicContact CE1-CD1 3.77Å; Y285-D346 PolarHBondContact OH-OD2 2.69Å
286	Q	96.9	Very high	96.9	Very high	100 Å²	100	34 Å²	34	47%	0.467	17%	0.173	S	C	.	.			trans	-134.2	47	-179.5	-61	-170.8	-14.8	0	0	113.7	N284 V288 K289 Y290	N284-Q286 VanDerWaalsContact C-N 3.29Å; N284-Q286 PolarHBondContact O-N 2.93Å; N284-Q286 PolarHBondContact OD1-N 3.11Å; Q286-V288 PolarHBondContact O-N 3.27Å; Q286-K289 HydrophobicContact CB-CB 4.32Å; Q286-K289 HydrophobicContact CB-CD 4.07Å; Q286-K289 WeakPolarHBondContact O-CB 3.39Å; Q286-K289 PolarHBondContact O-N 3.28Å; Q286-Y290 HydrophobicContact CB-CD2 4.47Å; Q286-Y290 HydrophobicContact CB-CE2 3.99Å; Q286-Y290 WeakPolarHBondContact O-CD2 3.3Å
287	P	97.4	Very high	97	Very high	18 Å²	18	38.5 Å²	38.5	12%	0.117	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-44.4	-173.2	23.8	-32.7	0	0	0	113.2	S206 N284 K289 Y290 T291 V337	S206-P287 CarbonylContact O-C 3.04Å; N284-P287 WeakPolarHBondContact O-CD 3.13Å; P287-K289 VanDerWaalsContact C-N 3.26Å; P287-K289 PolarHBondContact O-N 3.5Å; P287-Y290 PolarHBondContact O-N 2.94Å; P287-Y290 VanDerWaalsContact O-N 3.12Å; P287-T291 WeakPolarHBondContact O-CB 3.45Å; P287-T291 PolarHBondContact O-N 3.13Å; P287-T291 PolarHBondContact O-OG1 3.3Å; P287-V337 HydrophobicContact CB-CG1 3.81Å; P287-V337 HydrophobicContact CG-CG1 3.92Å
288	V	97.4	Very high	97	Very high	75 Å²	75	39 Å²	39	46%	0.455	20%	0.195	S	C	.	.	H	α-helix	trans	-51.9	-45.3	-179.5	-163.7	0	0	0	0	111.6	T207 Q286 Y290 T291 S292	T207-V288 WeakPolarHBondContact O-CG2 3.25Å; Q286-V288 PolarHBondContact O-N 3.27Å; V288-Y290 PolarHBondContact O-N 3.1Å; V288-T291 PolarHBondContact O-N 3.28Å; V288-S292 WeakPolarHBondContact O-CB 3.43Å; V288-S292 PolarHBondContact O-N 3.37Å; V288-S292 PolarHBondContact O-OG 3.42Å; V288-S292 VanDerWaalsContact O-OG 3.12Å
289	K	97	Very high	97	Very high	105 Å²	105	40.1 Å²	40.1	46%	0.457	22%	0.217	S	C	.	.	H	α-helix	trans	-60.2	-46.6	-179.7	170.6	-161.6	175.5	-163.1	0	112.2	Q286 P287 L293	Q286-K289 HydrophobicContact CB-CB 4.32Å; Q286-K289 HydrophobicContact CB-CD 4.07Å; Q286-K289 WeakPolarHBondContact O-CB 3.39Å; Q286-K289 PolarHBondContact O-N 3.28Å; P287-K289 VanDerWaalsContact C-N 3.26Å; P287-K289 PolarHBondContact O-N 3.5Å; K289-L293 WeakPolarHBondContact O-CB 3.33Å; K289-L293 PolarHBondContact O-N 2.9Å; K289-L293 VanDerWaalsContact O-N 3.11Å
290	Y	97.3	Very high	97.1	Very high	6 Å²	6	39.9 Å²	39.9	2%	0.024	22%	0.215	C	C	.	.	H	α-helix	trans	-77.2	-34.8	-177.7	-59.4	-60.1	0	0	0	111.9	Q286 P287 V288 L293 L294 I325 P327 A328 A333	Q286-Y290 HydrophobicContact CB-CD2 4.47Å; Q286-Y290 HydrophobicContact CB-CE2 3.99Å; Q286-Y290 WeakPolarHBondContact O-CD2 3.3Å; P287-Y290 PolarHBondContact O-N 2.94Å; P287-Y290 VanDerWaalsContact O-N 3.12Å; V288-Y290 PolarHBondContact O-N 3.1Å; Y290-L293 PolarHBondContact O-N 2.86Å; Y290-L294 WeakPolarHBondContact O-CB 3.27Å; Y290-L294 PolarHBondContact O-N 3.39Å; Y290-I325 HydrophobicContact CD1-CG2 4.03Å; Y290-I325 HydrophobicContact CG-CG2 4.5Å; Y290-P327 HydrophobicContact CE1-CB 4.37Å; Y290-A328 PolarHBondContact OH-N 3.36Å; Y290-A333 WeakPolarHBondContact CB-O 3.28Å; Y290-A333 HydrophobicContact CD1-CB 4.05Å; Y290-A333 HydrophobicContact CD2-CB 4.28Å; Y290-A333 WeakPolarHBondContact CD2-O 3.39Å; Y290-A333 HydrophobicContact CE1-CB 4.44Å; Y290-A333 HydrophobicContact CG-CB 3.97Å
291	T	97.9	Very high	96.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-45.7	172.3	-63.6	0	0	0	0	111.9	L205 S206 T207 P287 V288 L294 A295 M308	L205-T291 HydrophobicContact CD1-CG2 4.11Å; L205-T291 HydrophobicContact CD2-CG2 4.04Å; L205-T291 HydrophobicContact CG-CG2 3.94Å; S206-T291 WeakPolarHBondContact O-CB 3.18Å; S206-T291 PolarHBondContact O-OG1 3.04Å; T207-T291 HydrophobicContact CG2-CG2 4.12Å; P287-T291 WeakPolarHBondContact O-CB 3.45Å; P287-T291 PolarHBondContact O-N 3.13Å; P287-T291 PolarHBondContact O-OG1 3.3Å; V288-T291 PolarHBondContact O-N 3.28Å; T291-L294 PolarHBondContact O-N 3.06Å; T291-A295 WeakPolarHBondContact O-CB 3.43Å; T291-A295 PolarHBondContact O-N 2.87Å; T291-M308 HydrophobicContact CG2-CE 3.96Å
292	S	96.8	Very high	96.7	Very high	42 Å²	42	45.8 Å²	45.8	29%	0.294	25%	0.248	S	C	.	.	H	α-helix	trans	-63.3	-42.5	174.2	-64.2	0	0	0	0	112.3	V288 L294 A295 D296	V288-S292 WeakPolarHBondContact O-CB 3.43Å; V288-S292 PolarHBondContact O-N 3.37Å; V288-S292 PolarHBondContact O-OG 3.42Å; V288-S292 VanDerWaalsContact O-OG 3.12Å; S292-L294 VanDerWaalsContact C-N 3.3Å; S292-L294 PolarHBondContact O-N 3.14Å; S292-A295 PolarHBondContact O-N 2.81Å; S292-A295 VanDerWaalsContact O-N 3.17Å; S292-D296 PolarHBondContact O-N 2.91Å
293	L	96.8	Very high	96.4	Very high	72 Å²	72	54.4 Å²	54.4	38%	0.377	29%	0.293	S	S	.	.	H	α-helix	trans	-63.9	-34.7	177.6	-178.1	60.7	0	0	0	112.7	K289 Y290 K297 I325	K289-L293 WeakPolarHBondContact O-CB 3.33Å; K289-L293 PolarHBondContact O-N 2.9Å; K289-L293 VanDerWaalsContact O-N 3.11Å; Y290-L293 PolarHBondContact O-N 2.86Å; L293-K297 PolarHBondContact O-N 3.47Å; L293-I325 HydrophobicContact CD2-CD1 4.36Å; L293-I325 HydrophobicContact CD2-CG2 4.39Å; L293-I325 HydrophobicContact CG-CD1 3.98Å
294	L	97.6	Very high	96.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-67.2	-47	170.9	177.3	70.6	0	0	0	111.3	V201 L205 Y290 T291 S292 D296 K297 V298 L320 Q323 I325 F334	V201-L294 HydrophobicContact CB-CD2 4.38Å; V201-L294 HydrophobicContact CG1-CD2 3.52Å; V201-L294 HydrophobicContact CG2-CD2 3.89Å; L205-L294 HydrophobicContact CD1-CD2 3.78Å; Y290-L294 WeakPolarHBondContact O-CB 3.27Å; Y290-L294 PolarHBondContact O-N 3.39Å; T291-L294 PolarHBondContact O-N 3.06Å; S292-L294 VanDerWaalsContact C-N 3.3Å; S292-L294 PolarHBondContact O-N 3.14Å; L294-D296 VanDerWaalsContact C-N 3.3Å; L294-D296 PolarHBondContact O-N 3.21Å; L294-K297 PolarHBondContact O-N 2.77Å; L294-K297 VanDerWaalsContact O-N 3.11Å; L294-V298 HydrophobicContact CD1-CG1 4.46Å; L294-V298 PolarHBondContact O-N 3.19Å; L294-L320 HydrophobicContact CD2-CD2 4.44Å; L294-Q323 HydrophobicContact CD1-CB 3.67Å; L294-Q323 HydrophobicContact CD1-CG 3.66Å; L294-I325 HydrophobicContact CB-CD1 4.18Å; L294-I325 HydrophobicContact CB-CG1 4.42Å; L294-I325 HydrophobicContact CD1-CD1 4.39Å; L294-I325 HydrophobicContact CD1-CG1 4.23Å; L294-F334 HydrophobicContact CB-CZ 4.11Å; L294-F334 HydrophobicContact CD2-CZ 4.03Å
295	A	97.9	Very high	96.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.9	-39.5	178.6	0	0	0	0	0	111.9	T291 S292 G299 C300 N301 M308	T291-A295 WeakPolarHBondContact O-CB 3.43Å; T291-A295 PolarHBondContact O-N 2.87Å; S292-A295 PolarHBondContact O-N 2.81Å; S292-A295 VanDerWaalsContact O-N 3.17Å; A295-G299 PolarHBondContact O-N 3.31Å; A295-C300 HydrophobicContact CB-CB 4.29Å; A295-C300 PolarHBondContact O-N 3.15Å; A295-N301 PolarHBondContact O-N 3.06Å; A295-M308 HydrophobicContact CB-CG 3.89Å; A295-M308 HydrophobicContact CB-SD 3.51Å; A295-M308 VanDerWaalsContact CB-SD 3.51Å
296	D	97.3	Very high	96.4	Very high	88 Å²	88	57.2 Å²	57.2	47%	0.471	32%	0.32	S	S	.	.	H	α-helix	trans	-56.2	-53.8	169.3	-89.5	-44.2	0	0	0	111.7	S292 L294 V298 G299 N301	S292-D296 PolarHBondContact O-N 2.91Å; L294-D296 VanDerWaalsContact C-N 3.3Å; L294-D296 PolarHBondContact O-N 3.21Å; D296-V298 VanDerWaalsContact C-N 3.3Å; D296-V298 PolarHBondContact O-N 2.77Å; D296-G299 PolarHBondContact O-N 3.01Å; D296-G299 VanDerWaalsContact O-N 3.13Å; D296-N301 WeakPolarHBondContact OD1-CB 3.5Å; D296-N301 PolarHBondContact OD1-ND2 3.2Å
297	K	97.3	Very high	96.5	Very high	94 Å²	94	57.4 Å²	57.4	41%	0.409	32%	0.324	S	S	.	.	H	α-helix	trans	-61.5	-33.8	-176.1	-77.4	-164	175.6	-168.5	0	113.9	L293 L294 Q323 D324 I325	L293-K297 PolarHBondContact O-N 3.47Å; L294-K297 PolarHBondContact O-N 2.77Å; L294-K297 VanDerWaalsContact O-N 3.11Å; K297-Q323 HydrophobicContact CB-CG 4.49Å; K297-Q323 HydrophobicContact CD-CB 4.48Å; K297-D324 PolarHBondContact NZ-O 3.36Å; K297-I325 HydrophobicContact CD-CD1 3.96Å
298	V	97.9	Very high	96.5	Very high	11 Å²	11	57 Å²	57	7%	0.067	32%	0.321	C	S	.	.	H	α-helix	trans	-95.9	2	177.9	-52	0	0	0	0	114	L294 D296 C300 L312 K315 E319 L320 Q323	L294-V298 HydrophobicContact CD1-CG1 4.46Å; L294-V298 PolarHBondContact O-N 3.19Å; D296-V298 VanDerWaalsContact C-N 3.3Å; D296-V298 PolarHBondContact O-N 2.77Å; V298-C300 HydrophobicContact CG2-CB 4.12Å; V298-L312 HydrophobicContact CG2-CD2 3.6Å; V298-K315 HydrophobicContact CG2-CG 4.25Å; V298-K315 WeakPolarHBondContact O-CE 3.34Å; V298-K315 PolarHBondContact O-NZ 3.47Å; V298-E319 HydrophobicContact CG1-CG 4.39Å; V298-L320 HydrophobicContact CG1-CD2 4.4Å; V298-L320 HydrophobicContact CG2-CD2 4.39Å; V298-Q323 HydrophobicContact CG1-CG 3.82Å
299	G	97.6	Very high	96.5	Very high	65 Å²	65	53.4 Å²	53.4	67%	0.67	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	29.7	178.6	0	0	0	0	0	114.8	A295 D296	A295-G299 PolarHBondContact O-N 3.31Å; D296-G299 PolarHBondContact O-N 3.01Å; D296-G299 VanDerWaalsContact O-N 3.13Å
300	C	97.7	Very high	96.6	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.007	29%	0.292	C	S	.	.			trans	-106.9	10.5	173.3	-71.6	0	0	0	0	113.7	A295 V298 V302 M308 C311 L312 K315	A295-C300 HydrophobicContact CB-CB 4.29Å; A295-C300 PolarHBondContact O-N 3.15Å; V298-C300 HydrophobicContact CG2-CB 4.12Å; C300-V302 PolarHBondContact O-N 2.97Å; C300-M308 WeakPolarHBondContact O-CG 3.27Å; C300-C311 WeakPolarHBondContact CA-SG 3.42Å; C300-C311 HydrophobicContact CB-CB 3.63Å; C300-C311 WeakPolarHBondContact CB-SG 3.5Å; C300-C311 WeakPolarHBondContact SG-CB 3.27Å; C300-C311 CovalentContact SG-SG 2.04Å; C300-C311 PolarHBondContact SG-SG 3.11Å; C300-L312 HydrophobicContact CB-CD2 4.09Å; C300-L312 HydrophobicContact CB-CG 4.11Å; C300-K315 WeakPolarHBondContact SG-CE 3Å
301	N	90.8	Very high	96.6	Very high	85 Å²	85	52.6 Å²	52.6	46%	0.455	30%	0.303	S	S	.	.			trans	-66.7	105.2	175.6	-177.6	1	0	0	0	110.9	A295 D296	A295-N301 PolarHBondContact O-N 3.06Å; D296-N301 WeakPolarHBondContact OD1-CB 3.5Å; D296-N301 PolarHBondContact OD1-ND2 3.2Å
302	V	91.6	Very high	96.6	Very high	66 Å²	66	52.6 Å²	52.6	40%	0.4	30%	0.303	S	S	.	.			trans	-134.8	156.5	172.4	-66.4	0	0	0	0	108.9	C300 D304 D307 M308	C300-V302 PolarHBondContact O-N 2.97Å; V302-D304 VanDerWaalsContact C-N 3.35Å; V302-D304 PolarHBondContact O-N 2.84Å; V302-D307 HydrophobicContact CG2-CB 3.77Å; V302-M308 HydrophobicContact CG2-CB 3.74Å; V302-M308 VanDerWaalsContact CG2-N 3.32Å
303	L	90.1	Very high	96.7	Very high	182 Å²	182	52.2 Å²	52.2	95%	0.953	30%	0.295	S	S	*	.	S	Bend	trans	-75.5	-20.7	-171.7	-65.4	176.3	0	0	0	114.4
304	D	96.7	Very high	96.7	Very high	79 Å²	79	56.7 Å²	56.7	42%	0.422	31%	0.314	S	S	.	.	S	Bend	trans	-93.7	130.1	175	-173.6	-77.9	0	0	0	109.9	V302 V306 D307 M308	V302-D304 VanDerWaalsContact C-N 3.35Å; V302-D304 PolarHBondContact O-N 2.84Å; D304-V306 VanDerWaalsContact C-N 3.34Å; D304-V306 PolarHBondContact O-N 3.35Å; D304-V306 WeakPolarHBondContact OD1-CA 3.28Å; D304-V306 VanDerWaalsContact OD1-CB 3.3Å; D304-V306 WeakPolarHBondContact OD1-CB 3.21Å; D304-V306 PolarHBondContact OD1-N 3.49Å; D304-D307 HydrophobicContact CB-CB 4.18Å; D304-D307 PolarHBondContact OD1-N 3.21Å; D304-D307 VanDerWaalsContact OD1-N 3.14Å; D304-M308 WeakPolarHBondContact O-CB 3.37Å; D304-M308 PolarHBondContact O-N 2.66Å
305	T	97.1	Very high	96.8	Very high	40 Å²	40	58.8 Å²	58.8	25%	0.245	32%	0.323	C	S	.	.	H	α-helix	trans	-74.2	-24.1	-174.6	46.6	0	0	0	0	113.1	T207 D209 A211 M308 V309	T207-T305 HydrophobicContact CG2-CG2 4.24Å; D209-T305 VanDerWaalsContact OD2-CB 3.3Å; D209-T305 WeakPolarHBondContact OD2-CB 3.38Å; D209-T305 WeakPolarHBondContact OD2-CG2 3.29Å; D209-T305 PolarHBondContact OD2-OG1 3Å; A211-T305 WeakPolarHBondContact CB-O 3.33Å; T305-M308 HydrophobicContact CG2-CE 4.2Å; T305-V309 VanDerWaalsContact O-CG2 3.22Å; T305-V309 WeakPolarHBondContact O-CG2 3.37Å; T305-V309 PolarHBondContact O-N 2.84Å; T305-V309 VanDerWaalsContact O-N 3.09Å
306	V	97.8	Very high	96.7	Very high	72 Å²	72	61.7 Å²	61.7	44%	0.436	34%	0.343	S	S	.	.	H	α-helix	trans	-74.3	-49.7	174.1	-172.5	0	0	0	0	109.7	A211 D304 M308 V309 D310	A211-V306 HydrophobicContact CB-CG2 3.95Å; D304-V306 VanDerWaalsContact C-N 3.34Å; D304-V306 PolarHBondContact O-N 3.35Å; D304-V306 WeakPolarHBondContact OD1-CA 3.28Å; D304-V306 VanDerWaalsContact OD1-CB 3.3Å; D304-V306 WeakPolarHBondContact OD1-CB 3.21Å; D304-V306 PolarHBondContact OD1-N 3.49Å; V306-M308 PolarHBondContact O-N 2.03Å; V306-V309 PolarHBondContact O-N 3.32Å; V306-V309 VanDerWaalsContact O-N 3.13Å; V306-D310 PolarHBondContact O-N 3.04Å
307	D	97.9	Very high	96.7	Very high	104 Å²	104	57.9 Å²	57.9	56%	0.556	32%	0.324	S	S	*	.	H	α-helix	trans	-56.9	-38.5	174.9	-76.9	-23.1	0	0	0	111.4	V302 D304 C311	V302-D307 HydrophobicContact CG2-CB 3.77Å; D304-D307 HydrophobicContact CB-CB 4.18Å; D304-D307 PolarHBondContact OD1-N 3.21Å; D304-D307 VanDerWaalsContact OD1-N 3.14Å; D307-C311 WeakPolarHBondContact O-CB 3.43Å; D307-C311 PolarHBondContact O-N 2.93Å
308	M	98.3	Very high	96.6	Very high	9 Å²	9	59.9 Å²	59.9	4%	0.044	33%	0.333	C	S	.	.	H	α-helix	trans	-64.1	-47.8	175.9	179.7	174.3	63.4	0	0	111.9	T207 T291 A295 C300 V302 D304 T305 V306 C311 L312	T207-M308 HydrophobicContact CG2-CE 3.61Å; T291-M308 HydrophobicContact CG2-CE 3.96Å; A295-M308 HydrophobicContact CB-CG 3.89Å; A295-M308 HydrophobicContact CB-SD 3.51Å; A295-M308 VanDerWaalsContact CB-SD 3.51Å; C300-M308 WeakPolarHBondContact O-CG 3.27Å; V302-M308 HydrophobicContact CG2-CB 3.74Å; V302-M308 VanDerWaalsContact CG2-N 3.32Å; D304-M308 WeakPolarHBondContact O-CB 3.37Å; D304-M308 PolarHBondContact O-N 2.66Å; T305-M308 HydrophobicContact CG2-CE 4.2Å; V306-M308 PolarHBondContact O-N 2.03Å; M308-C311 PolarHBondContact O-N 2.89Å; M308-L312 HydrophobicContact CG-CD1 4.02Å; M308-L312 VanDerWaalsContact O-CG 3.26Å; M308-L312 WeakPolarHBondContact O-CG 3.39Å; M308-L312 PolarHBondContact O-N 3.06Å
309	V	98.2	Very high	96.5	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.006	34%	0.344	C	S	.	.	H	α-helix	trans	-67.4	-36.7	179.9	174.4	0	0	0	0	111.1	F84 T207 A211 A212 T305 V306 L312 R313	F84-V309 HydrophobicContact CB-CG1 4.4Å; F84-V309 HydrophobicContact CD2-CG1 3.99Å; T207-V309 HydrophobicContact CG2-CG2 3.72Å; A211-V309 HydrophobicContact CB-CG2 4.16Å; A212-V309 HydrophobicContact CB-CG1 4.31Å; A212-V309 HydrophobicContact CB-CG2 3.73Å; T305-V309 VanDerWaalsContact O-CG2 3.22Å; T305-V309 WeakPolarHBondContact O-CG2 3.37Å; T305-V309 PolarHBondContact O-N 2.84Å; T305-V309 VanDerWaalsContact O-N 3.09Å; V306-V309 PolarHBondContact O-N 3.32Å; V306-V309 VanDerWaalsContact O-N 3.13Å; V309-L312 CarbonylContact O-C 3.55Å; V309-L312 WeakPolarHBondContact O-CB 3.25Å; V309-L312 PolarHBondContact O-N 2.91Å; V309-L312 VanDerWaalsContact O-N 3.15Å; V309-R313 WeakPolarHBondContact O-CG 3.44Å; V309-R313 PolarHBondContact O-N 3.14Å
310	D	97.9	Very high	96.4	Very high	57 Å²	57	59.4 Å²	59.4	31%	0.305	31%	0.313	S	S	.	.	H	α-helix	trans	-68.6	-34.6	175.3	-77.1	-11.7	0	0	0	112.6	V306 R313 Q314	V306-D310 PolarHBondContact O-N 3.04Å; D310-R313 PolarHBondContact O-N 3.18Å; D310-R313 IonicContact OD1-CZ 2.68Å; D310-R313 IonicContact OD1-NH1 2.95Å; D310-R313 PolarHBondContact OD1-NH1 2.92Å; D310-Q314 WeakPolarHBondContact O-CG 3.32Å; D310-Q314 PolarHBondContact O-N 2.99Å; D310-Q314 PolarHBondContact O-NE2 3.26Å
311	C	98.2	Very high	96.3	Very high	36 Å²	36	60.3 Å²	60.3	24%	0.243	32%	0.318	C	S	.	.	H	α-helix	trans	-62.7	-42.2	167.7	-177.1	0	0	0	0	111.5	C300 D307 M308 R313 Q314 K315	C300-C311 WeakPolarHBondContact CA-SG 3.42Å; C300-C311 HydrophobicContact CB-CB 3.63Å; C300-C311 WeakPolarHBondContact CB-SG 3.5Å; C300-C311 WeakPolarHBondContact SG-CB 3.27Å; C300-C311 CovalentContact SG-SG 2.04Å; C300-C311 PolarHBondContact SG-SG 3.11Å; D307-C311 WeakPolarHBondContact O-CB 3.43Å; D307-C311 PolarHBondContact O-N 2.93Å; M308-C311 PolarHBondContact O-N 2.89Å; C311-R313 PolarHBondContact O-N 2.95Å; C311-Q314 PolarHBondContact O-N 2.88Å; C311-K315 PolarHBondContact O-N 3.06Å
312	L	98.3	Very high	96.3	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-68.7	-29	177.3	-67.9	166	0	0	0	113	R83 F84 L205 V298 C300 M308 V309 Q314 K315 L320	R83-L312 PolarHBondContact NH1-O 3.22Å; F84-L312 HydrophobicContact CE2-CB 3.87Å; F84-L312 HydrophobicContact CZ-CB 4.4Å; L205-L312 HydrophobicContact CD1-CD1 3.96Å; V298-L312 HydrophobicContact CG2-CD2 3.6Å; C300-L312 HydrophobicContact CB-CD2 4.09Å; C300-L312 HydrophobicContact CB-CG 4.11Å; M308-L312 HydrophobicContact CG-CD1 4.02Å; M308-L312 VanDerWaalsContact O-CG 3.26Å; M308-L312 WeakPolarHBondContact O-CG 3.39Å; M308-L312 PolarHBondContact O-N 3.06Å; V309-L312 CarbonylContact O-C 3.55Å; V309-L312 WeakPolarHBondContact O-CB 3.25Å; V309-L312 PolarHBondContact O-N 2.91Å; V309-L312 VanDerWaalsContact O-N 3.15Å; L312-Q314 VanDerWaalsContact C-N 3.32Å; L312-K315 PolarHBondContact O-N 2.87Å; L312-L320 HydrophobicContact CD2-CD2 3.72Å
313	R	98.1	Very high	96.4	Very high	35 Å²	35	60.4 Å²	60.4	13%	0.132	31%	0.312	C	S	.	.	H	α-helix	trans	-64.8	-34.1	169.7	-74.5	178.2	178.1	117.2	7.7	112.3	R83 F84 V309 D310 C311 K315	R83-R313 HydrophobicContact CB-CG 4.49Å; R83-R313 PolarHBondContact NH1-O 3.3Å; R83-R313 PolarHBondContact O-NE 3.18Å; F84-R313 HydrophobicContact CD2-CG 4Å; F84-R313 HydrophobicContact CE2-CG 4.38Å; V309-R313 WeakPolarHBondContact O-CG 3.44Å; V309-R313 PolarHBondContact O-N 3.14Å; D310-R313 PolarHBondContact O-N 3.18Å; D310-R313 IonicContact OD1-CZ 2.68Å; D310-R313 IonicContact OD1-NH1 2.95Å; D310-R313 PolarHBondContact OD1-NH1 2.92Å; C311-R313 PolarHBondContact O-N 2.95Å; R313-K315 VanDerWaalsContact C-N 3.32Å; R313-K315 PolarHBondContact O-N 3.07Å
314	Q	97.4	Very high	96.5	Very high	165 Å²	165	55.3 Å²	55.3	77%	0.771	29%	0.285	S	S	*	.	H	α-helix	trans	-76.2	-15	179.4	-68.1	170	50.3	0	0	114.2	D310 C311 L312	D310-Q314 WeakPolarHBondContact O-CG 3.32Å; D310-Q314 PolarHBondContact O-N 2.99Å; D310-Q314 PolarHBondContact O-NE2 3.26Å; C311-Q314 PolarHBondContact O-N 2.88Å; L312-Q314 VanDerWaalsContact C-N 3.32Å
315	K	98.1	Very high	96.2	Very high	44 Å²	44	52.2 Å²	52.2	19%	0.191	27%	0.269	C	S	.	.	S	Bend	trans	-71	158.6	175.7	-60.6	-48.3	-159.9	146.1	0	112.5	R83 V298 C300 C311 L312 R313 E319 L320	R83-K315 PolarHBondContact NH1-O 2.93Å; R83-K315 PolarHBondContact NH2-O 2.83Å; V298-K315 HydrophobicContact CG2-CG 4.25Å; V298-K315 WeakPolarHBondContact O-CE 3.34Å; V298-K315 PolarHBondContact O-NZ 3.47Å; C300-K315 WeakPolarHBondContact SG-CE 3Å; C311-K315 PolarHBondContact O-N 3.06Å; L312-K315 PolarHBondContact O-N 2.87Å; R313-K315 VanDerWaalsContact C-N 3.32Å; R313-K315 PolarHBondContact O-N 3.07Å; K315-E319 WeakPolarHBondContact CD-OE1 3.42Å; K315-E319 WeakPolarHBondContact CE-OE1 3.05Å; K315-E319 IonicContact NZ-OE1 2.77Å; K315-E319 PolarHBondContact NZ-OE1 2.96Å; K315-L320 HydrophobicContact CB-CD1 4.25Å; K315-L320 HydrophobicContact CB-CD2 3.87Å; K315-L320 HydrophobicContact CB-CG 3.86Å; K315-L320 HydrophobicContact CG-CD2 4.09Å
316	S	97.6	Very high	95.8	Very high	61 Å²	61	55.1 Å²	55.1	43%	0.427	28%	0.279	S	S	.	.			trans	-75.9	144	167	70.9	0	0	0	0	110.5	K318 E319 L320	S316-K318 PolarHBondContact O-N 3Å; S316-E319 WeakPolarHBondContact O-CB 3.37Å; S316-E319 PolarHBondContact O-N 3.47Å; S316-E319 VanDerWaalsContact O-N 3.1Å; S316-E319 WeakPolarHBondContact OG-CB 3.09Å; S316-E319 PolarHBondContact OG-N 3.16Å; S316-E319 VanDerWaalsContact OG-N 3.13Å; S316-L320 PolarHBondContact O-N 3.04Å; S316-L320 VanDerWaalsContact O-N 3.15Å
317	A	96.3	Very high	95.4	Very high	9 Å²	9	53.7 Å²	53.7	7%	0.074	27%	0.271	C	S	.	.	H	α-helix	trans	-54.4	-36.4	173.8	0	0	0	0	0	112.7	P107 E139 L202 L320 V321	P107-A317 HydrophobicContact CB-CB 4.11Å; P107-A317 HydrophobicContact CG-CB 3.95Å; E139-A317 HydrophobicContact CG-CB 3.52Å; E139-A317 VanDerWaalsContact OE1-CB 3.28Å; E139-A317 WeakPolarHBondContact OE1-CB 3.4Å; L202-A317 HydrophobicContact CD1-CB 3.85Å; A317-L320 PolarHBondContact O-N 2.86Å; A317-V321 WeakPolarHBondContact O-CB 3.47Å; A317-V321 VanDerWaalsContact O-CG2 3.31Å; A317-V321 WeakPolarHBondContact O-CG2 3.25Å; A317-V321 PolarHBondContact O-N 3.14Å
318	K	94.6	Very high	95	Very high	135 Å²	135	50.6 Å²	50.6	59%	0.587	26%	0.26	S	S	*	.	H	α-helix	trans	-58.8	-51	175	-177.5	172.1	-179.5	172.8	0	111.9	S316 L320 V321 E322	S316-K318 PolarHBondContact O-N 3Å; K318-L320 PolarHBondContact O-N 2.62Å; K318-V321 PolarHBondContact O-N 3Å; K318-E322 WeakPolarHBondContact CE-OE1 3.2Å; K318-E322 WeakPolarHBondContact CE-OE2 3.5Å; K318-E322 HydrophobicContact CG-CG 4.17Å; K318-E322 WeakPolarHBondContact CG-OE2 3.47Å; K318-E322 IonicContact NZ-OE1 3.92Å; K318-E322 PolarHBondContact NZ-OE1 2.84Å; K318-E322 WeakPolarHBondContact O-CB 3.3Å; K318-E322 WeakPolarHBondContact O-CG 3.41Å; K318-E322 PolarHBondContact O-N 3.16Å
319	E	96.1	Very high	94.5	Very high	66 Å²	66	54.9 Å²	54.9	31%	0.308	28%	0.276	S	S	.	.	H	α-helix	trans	-61	-30.9	178.5	-179.9	-174.6	177.9	0	0	113.1	V298 K315 S316 Q323	V298-E319 HydrophobicContact CG1-CG 4.39Å; K315-E319 WeakPolarHBondContact CD-OE1 3.42Å; K315-E319 WeakPolarHBondContact CE-OE1 3.05Å; K315-E319 IonicContact NZ-OE1 2.77Å; K315-E319 PolarHBondContact NZ-OE1 2.96Å; S316-E319 WeakPolarHBondContact O-CB 3.37Å; S316-E319 PolarHBondContact O-N 3.47Å; S316-E319 VanDerWaalsContact O-N 3.1Å; S316-E319 WeakPolarHBondContact OG-CB 3.09Å; S316-E319 PolarHBondContact OG-N 3.16Å; S316-E319 VanDerWaalsContact OG-N 3.13Å; E319-Q323 VanDerWaalsContact O-CG 3.3Å; E319-Q323 WeakPolarHBondContact O-CG 3.35Å; E319-Q323 PolarHBondContact O-NE2 3.41Å
320	L	96.7	Very high	94.2	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-76.1	-42.3	174.8	-66.3	174.2	0	0	0	112.7	F84 V201 L202 L294 V298 L312 K315 S316 A317 K318	F84-L320 HydrophobicContact CZ-CD1 4.12Å; V201-L320 HydrophobicContact CG1-CB 4.25Å; L202-L320 HydrophobicContact CD2-CD1 4.14Å; L294-L320 HydrophobicContact CD2-CD2 4.44Å; V298-L320 HydrophobicContact CG1-CD2 4.4Å; V298-L320 HydrophobicContact CG2-CD2 4.39Å; L312-L320 HydrophobicContact CD2-CD2 3.72Å; K315-L320 HydrophobicContact CB-CD1 4.25Å; K315-L320 HydrophobicContact CB-CD2 3.87Å; K315-L320 HydrophobicContact CB-CG 3.86Å; K315-L320 HydrophobicContact CG-CD2 4.09Å; S316-L320 PolarHBondContact O-N 3.04Å; S316-L320 VanDerWaalsContact O-N 3.15Å; A317-L320 PolarHBondContact O-N 2.86Å; K318-L320 PolarHBondContact O-N 2.62Å
321	V	94	Very high	94	Very high	20 Å²	20	54.7 Å²	54.7	12%	0.121	27%	0.273	C	S	.	.	H	α-helix	trans	-84.4	-23.8	-172.1	169.6	0	0	0	0	113.1	P107 N109 L202 A317 K318 Q323	P107-V321 HydrophobicContact CB-CG2 4.26Å; N109-V321 HydrophobicContact CB-CG1 4.04Å; L202-V321 HydrophobicContact CD1-CG2 4.3Å; L202-V321 HydrophobicContact CG-CG2 4.5Å; A317-V321 WeakPolarHBondContact O-CB 3.47Å; A317-V321 VanDerWaalsContact O-CG2 3.31Å; A317-V321 WeakPolarHBondContact O-CG2 3.25Å; A317-V321 PolarHBondContact O-N 3.14Å; K318-V321 PolarHBondContact O-N 3Å; V321-Q323 PolarHBondContact O-N 3.26Å
322	E	92.6	Very high	93.7	Very high	98 Å²	98	53.2 Å²	53.2	46%	0.458	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	1.5	172.6	-71	-176.5	145.1	0	0	113.6	K318	K318-E322 WeakPolarHBondContact CE-OE1 3.2Å; K318-E322 WeakPolarHBondContact CE-OE2 3.5Å; K318-E322 HydrophobicContact CG-CG 4.17Å; K318-E322 WeakPolarHBondContact CG-OE2 3.47Å; K318-E322 IonicContact NZ-OE1 3.92Å; K318-E322 PolarHBondContact NZ-OE1 2.84Å; K318-E322 WeakPolarHBondContact O-CB 3.3Å; K318-E322 WeakPolarHBondContact O-CG 3.41Å; K318-E322 PolarHBondContact O-N 3.16Å
323	Q	93.8	Very high	93.5	Very high	56 Å²	56	53.5 Å²	53.5	26%	0.262	27%	0.265	S	S	.	.			trans	-80.6	120.3	178	-57.9	-53.5	-36.1	0	0	112.6	L294 K297 V298 E319 V321 I325	L294-Q323 HydrophobicContact CD1-CB 3.67Å; L294-Q323 HydrophobicContact CD1-CG 3.66Å; K297-Q323 HydrophobicContact CB-CG 4.49Å; K297-Q323 HydrophobicContact CD-CB 4.48Å; V298-Q323 HydrophobicContact CG1-CG 3.82Å; E319-Q323 VanDerWaalsContact O-CG 3.3Å; E319-Q323 WeakPolarHBondContact O-CG 3.35Å; E319-Q323 PolarHBondContact O-NE2 3.41Å; V321-Q323 PolarHBondContact O-N 3.26Å; Q323-I325 HydrophobicContact CB-CD1 4.36Å; Q323-I325 HydrophobicContact CB-CG1 4.15Å; Q323-I325 PolarHBondContact O-N 2.93Å
324	D	90.5	Very high	93.4	Very high	74 Å²	74	52 Å²	52	40%	0.396	26%	0.259	S	S	.	.			trans	-67.9	91.4	172.6	174.3	48.9	0	0	0	111.6	K297 Q326	K297-D324 PolarHBondContact NZ-O 3.36Å; D324-Q326 WeakPolarHBondContact OD1-CG 3.47Å; D324-Q326 PolarHBondContact OD1-NE2 2.65Å
325	I	91.3	Very high	93.4	Very high	15 Å²	15	44.1 Å²	44.1	8%	0.077	22%	0.223	C	C	.	.			trans	-109.7	87.5	178.5	-55.2	-64.1	0	0	0	109	Y290 L293 L294 K297 Q323 P327 A333 F334	Y290-I325 HydrophobicContact CD1-CG2 4.03Å; Y290-I325 HydrophobicContact CG-CG2 4.5Å; L293-I325 HydrophobicContact CD2-CD1 4.36Å; L293-I325 HydrophobicContact CD2-CG2 4.39Å; L293-I325 HydrophobicContact CG-CD1 3.98Å; L294-I325 HydrophobicContact CB-CD1 4.18Å; L294-I325 HydrophobicContact CB-CG1 4.42Å; L294-I325 HydrophobicContact CD1-CD1 4.39Å; L294-I325 HydrophobicContact CD1-CG1 4.23Å; K297-I325 HydrophobicContact CD-CD1 3.96Å; Q323-I325 HydrophobicContact CB-CD1 4.36Å; Q323-I325 HydrophobicContact CB-CG1 4.15Å; Q323-I325 PolarHBondContact O-N 2.93Å; I325-P327 WeakPolarHBondContact O-CD 3.49Å; I325-A333 HydrophobicContact CG2-CB 4.01Å; I325-F334 HydrophobicContact CB-CE2 3.95Å; I325-F334 HydrophobicContact CG1-CE2 4.07Å; I325-F334 HydrophobicContact CG2-CE2 3.82Å; I325-F334 HydrophobicContact CG2-CZ 4.23Å
326	Q	88.1	Confident	93.4	Very high	101 Å²	101	42 Å²	42	47%	0.472	21%	0.214	S	C	.	.			trans	-75.8	123.2	-178.3	-66.7	-61.1	-38	0	0	112	D324	D324-Q326 WeakPolarHBondContact OD1-CG 3.47Å; D324-Q326 PolarHBondContact OD1-NE2 2.65Å
327	P	89.7	Confident	93.5	Very high	41 Å²	41	39.2 Å²	39.2	27%	0.266	19%	0.194	S	C	.	.			trans	-76.5	176.3	172.1	32.1	-33.7	0	0	0	112.1	Y290 I325 H331 A333	Y290-P327 HydrophobicContact CE1-CB 4.37Å; I325-P327 WeakPolarHBondContact O-CD 3.49Å; P327-H331 WeakPolarHBondContact CB-O 3.45Å; P327-H331 WeakPolarHBondContact CG-O 3.42Å; P327-A333 HydrophobicContact CB-CB 4.03Å; P327-A333 HydrophobicContact CG-CB 4.38Å
328	A	89	Confident	93.6	Very high	39 Å²	39	42 Å²	42	32%	0.322	21%	0.207	S	C	.	.	S	Bend	trans	-59.8	143.8	157.5	0	0	0	0	0	109.7	Y290 Y330 H331	Y290-A328 PolarHBondContact OH-N 3.36Å; A328-Y330 PolarHBondContact O-N 2.97Å; A328-H331 HydrophobicContact CB-CB 4.41Å; A328-H331 WeakPolarHBondContact O-CB 3.25Å; A328-H331 PolarHBondContact O-N 3.49Å; A328-H331 VanDerWaalsContact O-N 3.08Å
329	R	88.7	Confident	93.7	Very high	99 Å²	99	37 Å²	37	37%	0.374	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	142.4	-178.6	-159.4	-178	-179.5	-171.1	-2.7	110	H331 N395 N399	R329-H331 PolarHBondContact O-N 3.23Å; R329-H331 PolarHBondContact O-ND1 3.23Å; R329-N395 PolarHBondContact NH1-ND2 2.82Å; R329-N395 PolarHBondContact NH1-OD1 2.8Å; R329-N395 VanDerWaalsContact NH1-OD1 3.1Å; R329-N399 HydrophobicContact CB-CB 3.94Å; R329-N399 WeakPolarHBondContact CB-OD1 3.32Å
330	Y	91.8	Very high	93.8	Very high	3 Å²	3	36.6 Å²	36.6	1%	0.012	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	10.4	-175.6	-35.8	-59	0	0	0	115.9	V117 S280 W281 A328 F373 F396 N399 L400 F438	V117-Y330 HydrophobicContact CG2-CD1 4.28Å; V117-Y330 HydrophobicContact CG2-CE1 4.42Å; S280-Y330 CarbonylContact C-O 3.35Å; S280-Y330 PolarHBondContact OG-O 3Å; W281-Y330 PolarHBondContact N-O 3.02Å; A328-Y330 PolarHBondContact O-N 2.97Å; Y330-F373 WeakPolarHBondContact OH-CE2 3.36Å; Y330-F396 HydrophobicContact CE2-CD2 4.21Å; Y330-N399 HydrophobicContact CD2-CB 3.78Å; Y330-N399 HydrophobicContact CE2-CB 3.75Å; Y330-L400 HydrophobicContact CD2-CD1 4.33Å; Y330-L400 HydrophobicContact CD2-CD2 4.31Å; Y330-L400 HydrophobicContact CD2-CG 3.98Å; Y330-F438 AromaticContact CD1-CE2 3.55Å; Y330-F438 HydrophobicContact CD1-CE2 3.55Å; Y330-F438 AromaticContact CD1-CZ 3.54Å; Y330-F438 HydrophobicContact CD1-CZ 3.54Å; Y330-F438 HydrophobicContact CE1-CD2 4.49Å; Y330-F438 AromaticContact CE1-CE2 3.35Å; Y330-F438 HydrophobicContact CE1-CE2 3.35Å; Y330-F438 AromaticContact CE1-CZ 3.56Å; Y330-F438 HydrophobicContact CE1-CZ 3.56Å; Y330-F438 HydrophobicContact CG-CE2 4.23Å; Y330-F438 HydrophobicContact CG-CZ 4.48Å; Y330-F438 AromaticContact CZ-CE2 3.87Å
331	H	92.7	Very high	93.8	Very high	51 Å²	51	38.9 Å²	38.9	24%	0.236	21%	0.212	C	C	.	.	S	Bend	trans	-121.8	167.2	172.7	-56.8	81.3	0	0	0	110	S280 P327 A328 R329 N399	S280-H331 PolarHBondContact O-CD2 3.29Å; P327-H331 WeakPolarHBondContact CB-O 3.45Å; P327-H331 WeakPolarHBondContact CG-O 3.42Å; A328-H331 HydrophobicContact CB-CB 4.41Å; A328-H331 WeakPolarHBondContact O-CB 3.25Å; A328-H331 PolarHBondContact O-N 3.49Å; A328-H331 VanDerWaalsContact O-N 3.08Å; R329-H331 PolarHBondContact O-N 3.23Å; R329-H331 PolarHBondContact O-ND1 3.23Å; H331-N399 PolarHBondContact CE1-O 2.83Å
332	V	92.8	Very high	94	Very high	6 Å²	6	38 Å²	38	4%	0.036	21%	0.207	C	C	.	.			trans	-109.9	146.2	-179.4	-68.3	0	0	0	0	112.1	M118 Y171 W281 N284	M118-V332 HydrophobicContact SD-CG1 4.28Å; Y171-V332 HydrophobicContact CD2-CG1 4.17Å; Y171-V332 HydrophobicContact CD2-CG2 4.38Å; W281-V332 HydrophobicContact CB-CG1 4.04Å; W281-V332 WeakPolarHBondContact O-CG1 3.38Å; W281-V332 WeakPolarHBondContact O-CG2 3.43Å; N284-V332 HydrophobicContact CB-CG2 4.28Å
333	A	93.7	Very high	94.2	Very high	6 Å²	6	33.4 Å²	33.4	5%	0.05	19%	0.186	C	C	.	.	S	Bend	trans	-87.5	-38.6	179.3	0	0	0	0	0	112.7	N284 Y290 I325 P327	N284-A333 PolarHBondContact ND2-O 2.88Å; Y290-A333 WeakPolarHBondContact CB-O 3.28Å; Y290-A333 HydrophobicContact CD1-CB 4.05Å; Y290-A333 HydrophobicContact CD2-CB 4.28Å; Y290-A333 WeakPolarHBondContact CD2-O 3.39Å; Y290-A333 HydrophobicContact CE1-CB 4.44Å; Y290-A333 HydrophobicContact CG-CB 3.97Å; I325-A333 HydrophobicContact CG2-CB 4.01Å; P327-A333 HydrophobicContact CB-CB 4.03Å; P327-A333 HydrophobicContact CG-CB 4.38Å
334	F	96.9	Very high	94.4	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.009	19%	0.191	C	C	.	.	S	Bend	trans	-133.4	108.1	174.2	-59.3	-74.1	0	0	0	108.1	M172 V201 F204 L294 I325	M172-F334 HydrophobicContact CE-CD2 4.28Å; M172-F334 HydrophobicContact SD-CB 3.99Å; M172-F334 HydrophobicContact SD-CD2 4.16Å; V201-F334 HydrophobicContact CG2-CD2 3.83Å; V201-F334 HydrophobicContact CG2-CE2 3.71Å; V201-F334 HydrophobicContact CG2-CG 4.29Å; V201-F334 HydrophobicContact CG2-CZ 4.08Å; F204-F334 HydrophobicContact CB-CB 4.12Å; L294-F334 HydrophobicContact CB-CZ 4.11Å; L294-F334 HydrophobicContact CD2-CZ 4.03Å; I325-F334 HydrophobicContact CB-CE2 3.95Å; I325-F334 HydrophobicContact CG1-CE2 4.07Å; I325-F334 HydrophobicContact CG2-CE2 3.82Å; I325-F334 HydrophobicContact CG2-CZ 4.23Å
335	G	97.1	Very high	94.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-162.5	-176.9	179.5	0	0	0	0	0	108.8	F204	F204-G335 VanDerWaalsContact CB-N 3.33Å; F204-G335 VanDerWaalsContact CD1-C 3.41Å
336	P	98.6	Very high	95.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.196	C	C	.	.			trans	-50.1	145.3	179.7	-31	38.5	0	0	0	113.6	Y171 F204 N215 L218 L256 V283 N284	Y171-P336 HydrophobicContact CD1-CG 4.35Å; Y171-P336 HydrophobicContact CE1-CG 3.59Å; Y171-P336 VanDerWaalsContact CE2-CD 3.42Å; Y171-P336 HydrophobicContact CE2-CG 4.29Å; Y171-P336 WeakPolarHBondContact OH-CG 3.33Å; F204-P336 HydrophobicContact CD1-CG 4.34Å; F204-P336 HydrophobicContact CE1-CG 3.92Å; N215-P336 VanDerWaalsContact OD1-CA 3.31Å; N215-P336 WeakPolarHBondContact OD1-CA 3.41Å; L218-P336 HydrophobicContact CD1-CB 4Å; L218-P336 HydrophobicContact CD1-CG 4.07Å; L218-P336 HydrophobicContact CD2-CG 4.37Å; L218-P336 HydrophobicContact CG-CG 4.28Å; L256-P336 HydrophobicContact CD1-CB 3.68Å; L256-P336 HydrophobicContact CD1-CG 3.61Å; V283-P336 CarbonylContact C-O 3.45Å; V283-P336 WeakPolarHBondContact CA-O 3.38Å; N284-P336 PolarHBondContact N-O 3.45Å
337	V	98.6	Very high	95.5	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.018	17%	0.174	C	C	.	.			trans	-128.6	152.2	-179.3	-66.3	0	0	0	0	109.9	K213 N215 N284 P287 D339	K213-V337 WeakPolarHBondContact O-CG2 3.2Å; N215-V337 PolarHBondContact ND2-O 2.88Å; N215-V337 PolarHBondContact OD1-N 2.73Å; N215-V337 PolarHBondContact OD1-O 2.81Å; N284-V337 HydrophobicContact CB-CG1 4.14Å; P287-V337 HydrophobicContact CB-CG1 3.81Å; P287-V337 HydrophobicContact CG-CG1 3.92Å; V337-D339 HydrophobicContact CG2-CB 4.32Å; V337-D339 PolarHBondContact O-N 3.13Å
338	I	98.6	Very high	95.8	Very high	67 Å²	67	32.7 Å²	32.7	34%	0.344	18%	0.184	S	C	.	.			trans	-75.8	105.2	166.4	-56.7	166.3	0	0	0	106.5	V283 Y285 I343 D346	V283-I338 HydrophobicContact CG1-CG1 4.33Å; Y285-I338 HydrophobicContact CD1-CD1 4.29Å; Y285-I338 HydrophobicContact CE1-CD1 3.77Å; I338-I343 HydrophobicContact CG1-CG2 4.19Å; I338-D346 HydrophobicContact CD1-CB 4.16Å
339	D	97.6	Very high	96.1	Very high	31 Å²	31	34.1 Å²	34.1	17%	0.166	19%	0.186	C	C	.	.			trans	-107.1	-4	-175.6	63.5	-3.6	0	0	0	113.4	N215 V337 D341 V342 I343	N215-D339 PolarHBondContact ND2-OD2 2.73Å; V337-D339 HydrophobicContact CG2-CB 4.32Å; V337-D339 PolarHBondContact O-N 3.13Å; D339-D341 VanDerWaalsContact C-N 3.25Å; D339-D341 PolarHBondContact O-N 3.07Å; D339-D341 PolarHBondContact OD1-N 3.46Å; D339-V342 PolarHBondContact OD1-N 2.91Å; D339-V342 WeakPolarHBondContact OD2-CB 3.39Å; D339-V342 WeakPolarHBondContact OD2-CG2 3.49Å; D339-V342 PolarHBondContact OD2-N 2.96Å; D339-I343 PolarHBondContact N-O 3.32Å; D339-I343 PolarHBondContact OD1-N 3.43Å
340	G	97.3	Very high	96.5	Very high	57 Å²	57	29.7 Å²	29.7	59%	0.588	17%	0.17	S	C	*	.	S	Bend	trans	72.7	16.4	-175.6	0	0	0	0	0	113.7	I343	G340-I343 PolarHBondContact N-O 3.19Å; G340-I343 VanDerWaalsContact N-O 3.16Å
341	D	96.7	Very high	96.7	Very high	47 Å²	47	29.6 Å²	29.6	25%	0.251	17%	0.169	S	C	.	.	S	Bend	trans	-143.4	-76	-171.7	-171.6	-12.7	0	0	0	110.8	K213 H261 H262 D339	K213-D341 IonicContact NZ-OD2 3.79Å; K213-D341 PolarHBondContact NZ-OD2 2.69Å; H261-D341 PolarHBondContact CE1-O 2.99Å; H261-D341 IonicContact CE1-OD1 2.73Å; H261-D341 PolarHBondContact ND1-O 2.93Å; H261-D341 VanDerWaalsContact ND1-O 3.17Å; H262-D341 IonicContact CD2-OD1 2.92Å; H262-D341 IonicContact CE1-OD1 3.28Å; H262-D341 IonicContact NE2-OD1 2.61Å; H262-D341 PolarHBondContact NE2-OD1 3.47Å; D339-D341 VanDerWaalsContact C-N 3.25Å; D339-D341 PolarHBondContact O-N 3.07Å; D339-D341 PolarHBondContact OD1-N 3.46Å
342	V	97.6	Very high	96.8	Very high	3 Å²	3	32 Å²	32	2%	0.018	18%	0.181	C	C	.	.	S	Bend	trans	-70.9	-41.2	175	-175	0	0	0	0	110.3	N215 L218 L219 I222 S260 D339	N215-V342 HydrophobicContact CB-CB 4.06Å; N215-V342 HydrophobicContact CB-CG1 4.22Å; N215-V342 HydrophobicContact CB-CG2 4.15Å; L218-V342 HydrophobicContact CB-CG1 4.25Å; L218-V342 HydrophobicContact CD1-CG1 4.32Å; L219-V342 HydrophobicContact CD1-CG2 4.07Å; L219-V342 HydrophobicContact CD2-CG2 3.7Å; L219-V342 HydrophobicContact CG-CG2 3.86Å; I222-V342 HydrophobicContact CD1-CG1 4.16Å; S260-V342 WeakPolarHBondContact CB-O 3.47Å; S260-V342 PolarHBondContact OG-O 3.32Å; D339-V342 PolarHBondContact OD1-N 2.91Å; D339-V342 WeakPolarHBondContact OD2-CB 3.39Å; D339-V342 WeakPolarHBondContact OD2-CG2 3.49Å; D339-V342 PolarHBondContact OD2-N 2.96Å
343	I	98.3	Very high	96.8	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.204	C	C	.	.	S	Bend	trans	-122.5	97.6	172.9	-56	-61.4	0	0	0	106.7	L218 L256 I338 D339 G340 D345 L350	L218-I343 HydrophobicContact CD1-CD1 4.14Å; L218-I343 HydrophobicContact CD1-CG1 4.19Å; L256-I343 HydrophobicContact CB-CD1 4.02Å; L256-I343 HydrophobicContact CD2-CD1 3.88Å; I338-I343 HydrophobicContact CG1-CG2 4.19Å; D339-I343 PolarHBondContact N-O 3.32Å; D339-I343 PolarHBondContact OD1-N 3.43Å; G340-I343 PolarHBondContact N-O 3.19Å; G340-I343 VanDerWaalsContact N-O 3.16Å; I343-D345 WeakPolarHBondContact CG2-O 3.4Å; I343-D345 PolarHBondContact O-N 2.88Å; I343-L350 HydrophobicContact CG2-CD1 4.4Å
344	P	97.3	Very high	96.6	Very high	56 Å²	56	37.3 Å²	37.3	36%	0.364	21%	0.207	S	C	.	.			trans	-67.3	-33.7	-168.6	-26	35.8	0	0	0	115.6	L350	P344-L350 HydrophobicContact CB-CD2 4.38Å
345	D	98.1	Very high	96.2	Very high	69 Å²	69	42 Å²	42	37%	0.369	23%	0.229	S	C	.	.	S	Bend	trans	-151.6	-174.8	-177.3	-153.5	-17.8	0	0	0	109.1	I343 I349 L350	I343-D345 WeakPolarHBondContact CG2-O 3.4Å; I343-D345 PolarHBondContact O-N 2.88Å; D345-I349 HydrophobicContact CB-CG2 4.49Å; D345-L350 HydrophobicContact CB-CD2 3.98Å; D345-L350 HydrophobicContact CB-CG 4.24Å; D345-L350 WeakPolarHBondContact O-CD1 3.46Å
346	D	97.8	Very high	95.7	Very high	41 Å²	41	42 Å²	42	22%	0.219	23%	0.229	C	C	.	.			trans	-57.6	134.6	175.8	-167	-71	0	0	0	112.2	Y285 I338 E348 I349 L350	Y285-D346 PolarHBondContact OH-OD2 2.69Å; I338-D346 HydrophobicContact CD1-CB 4.16Å; D346-E348 PolarHBondContact O-N 3.35Å; D346-E348 VanDerWaalsContact O-N 3.16Å; D346-E348 PolarHBondContact OD1-N 2.92Å; D346-I349 HydrophobicContact CB-CB 4.28Å; D346-I349 HydrophobicContact CB-CD1 3.91Å; D346-I349 HydrophobicContact CB-CG1 4.05Å; D346-I349 WeakPolarHBondContact O-CA 3.49Å; D346-I349 WeakPolarHBondContact O-CB 3.31Å; D346-I349 PolarHBondContact O-N 2.96Å; D346-L350 WeakPolarHBondContact O-CG 3.42Å; D346-L350 PolarHBondContact O-N 3.33Å
347	P	97.6	Very high	94.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-56.1	-29.8	179.3	-27	35.5	0	0	0	115.5	L256 L259 A277 L278 V283 M351	L256-P347 HydrophobicContact CD2-CG 3.88Å; L259-P347 HydrophobicContact CD1-CB 3.89Å; A277-P347 HydrophobicContact CB-CB 3.69Å; A277-P347 HydrophobicContact CB-CG 4.2Å; L278-P347 HydrophobicContact CD2-CB 4.12Å; V283-P347 HydrophobicContact CG2-CG 3.92Å; P347-M351 WeakPolarHBondContact O-CB 3.42Å; P347-M351 VanDerWaalsContact O-CG 3.31Å; P347-M351 WeakPolarHBondContact O-CG 3.46Å; P347-M351 PolarHBondContact O-N 2.82Å
348	E	94.9	Very high	94.2	Very high	105 Å²	105	49.7 Å²	49.7	49%	0.491	27%	0.27	S	S	.	.	H	α-helix	trans	-66.8	-45.1	173.9	-169.9	169.7	-156.4	0	0	110.5	L278 D346 L350 M351 E352	L278-E348 HydrophobicContact CD2-CB 3.85Å; D346-E348 PolarHBondContact O-N 3.35Å; D346-E348 VanDerWaalsContact O-N 3.16Å; D346-E348 PolarHBondContact OD1-N 2.92Å; E348-L350 PolarHBondContact O-N 3.01Å; E348-M351 PolarHBondContact O-N 3.26Å; E348-E352 WeakPolarHBondContact O-CG 3.29Å; E348-E352 PolarHBondContact O-N 2.88Å
349	I	96.6	Very high	94.1	Very high	70 Å²	70	47 Å²	47	36%	0.359	26%	0.255	S	S	.	.	H	α-helix	trans	-61.8	-43.7	177.8	-64.4	176.6	0	0	0	110.8	D345 D346 E352 Q353	D345-I349 HydrophobicContact CB-CG2 4.49Å; D346-I349 HydrophobicContact CB-CB 4.28Å; D346-I349 HydrophobicContact CB-CD1 3.91Å; D346-I349 HydrophobicContact CB-CG1 4.05Å; D346-I349 WeakPolarHBondContact O-CA 3.49Å; D346-I349 WeakPolarHBondContact O-CB 3.31Å; D346-I349 PolarHBondContact O-N 2.96Å; I349-E352 PolarHBondContact O-N 3.25Å; I349-Q353 WeakPolarHBondContact O-CB 3.43Å; I349-Q353 VanDerWaalsContact O-CG 3.28Å; I349-Q353 WeakPolarHBondContact O-CG 3.36Å; I349-Q353 PolarHBondContact O-N 3.37Å
350	L	96.1	Very high	94.2	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-66	-36.3	177.7	-62.6	174.9	0	0	0	112.5	L259 I343 P344 D345 D346 E348 G354 E355	L259-L350 HydrophobicContact CB-CB 4.39Å; L259-L350 HydrophobicContact CB-CD1 4.13Å; L259-L350 HydrophobicContact CD2-CB 3.8Å; L259-L350 HydrophobicContact CG-CB 4.46Å; I343-L350 HydrophobicContact CG2-CD1 4.4Å; P344-L350 HydrophobicContact CB-CD2 4.38Å; D345-L350 HydrophobicContact CB-CD2 3.98Å; D345-L350 HydrophobicContact CB-CG 4.24Å; D345-L350 WeakPolarHBondContact O-CD1 3.46Å; D346-L350 WeakPolarHBondContact O-CG 3.42Å; D346-L350 PolarHBondContact O-N 3.33Å; E348-L350 PolarHBondContact O-N 3.01Å; L350-G354 PolarHBondContact O-N 3.18Å; L350-E355 HydrophobicContact CD2-CG 4.29Å; L350-E355 PolarHBondContact O-N 2.87Å
351	M	95.6	Very high	94.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-71.5	-34.9	173.3	-72.3	-170.5	-161.4	0	0	112.8	L259 A277 L278 P347 E348 F356 T450 L453	L259-M351 HydrophobicContact CD1-CE 3.93Å; L259-M351 HydrophobicContact CD1-CG 4.13Å; L259-M351 HydrophobicContact CD2-CG 3.72Å; A277-M351 HydrophobicContact CB-CE 4.04Å; L278-M351 HydrophobicContact CD1-CE 4.35Å; L278-M351 HydrophobicContact CD1-SD 3.97Å; L278-M351 HydrophobicContact CD2-CE 4.2Å; L278-M351 HydrophobicContact CD2-SD 4.28Å; L278-M351 HydrophobicContact CG-CE 4.02Å; L278-M351 HydrophobicContact CG-SD 4.21Å; P347-M351 WeakPolarHBondContact O-CB 3.42Å; P347-M351 VanDerWaalsContact O-CG 3.31Å; P347-M351 WeakPolarHBondContact O-CG 3.46Å; P347-M351 PolarHBondContact O-N 2.82Å; E348-M351 PolarHBondContact O-N 3.26Å; M351-F356 HydrophobicContact CB-CE1 3.91Å; M351-F356 HydrophobicContact CB-CE2 4.36Å; M351-F356 HydrophobicContact CB-CZ 3.76Å; M351-F356 HydrophobicContact CE-CE2 4.44Å; M351-F356 HydrophobicContact CG-CD1 4.46Å; M351-F356 HydrophobicContact CG-CD2 4.15Å; M351-F356 HydrophobicContact CG-CE1 4.03Å; M351-F356 HydrophobicContact CG-CE2 3.68Å; M351-F356 HydrophobicContact CG-CZ 3.6Å; M351-F356 WeakPolarHBondContact O-CE1 3.23Å; M351-F356 HydrophobicContact SD-CE2 3.82Å; M351-F356 HydrophobicContact SD-CZ 4Å; M351-T450 HydrophobicContact CE-CG2 3.92Å; M351-T450 HydrophobicContact SD-CG2 4.03Å; M351-L453 HydrophobicContact CB-CB 4.25Å; M351-L453 HydrophobicContact CB-CD1 3.55Å; M351-L453 HydrophobicContact CB-CG 4.48Å; M351-L453 HydrophobicContact SD-CD1 4.27Å
352	E	94.4	Very high	94.3	Very high	102 Å²	102	42 Å²	42	48%	0.477	22%	0.215	S	C	.	.	H	α-helix	trans	-66.3	-40.6	173.2	-73.1	-131.5	113.1	0	0	111.8	E348 I349 L453 R456 Y457	E348-E352 WeakPolarHBondContact O-CG 3.29Å; E348-E352 PolarHBondContact O-N 2.88Å; I349-E352 PolarHBondContact O-N 3.25Å; E352-L453 HydrophobicContact CG-CD2 4.19Å; E352-R456 IonicContact OE1-NH1 2.66Å; E352-Y457 PolarHBondContact O-OH 3.12Å
353	Q	93.1	Very high	94.4	Very high	113 Å²	113	41.9 Å²	41.9	53%	0.528	22%	0.215	S	C	.	.	H	α-helix	trans	-68.2	-34.1	177.3	-71.7	175.6	22.8	0	0	112.8	I349	I349-Q353 WeakPolarHBondContact O-CB 3.43Å; I349-Q353 VanDerWaalsContact O-CG 3.28Å; I349-Q353 WeakPolarHBondContact O-CG 3.36Å; I349-Q353 PolarHBondContact O-N 3.37Å
354	G	90.9	Very high	94.4	Very high	11 Å²	11	41.9 Å²	41.9	11%	0.113	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.7	25.8	173.5	0	0	0	0	0	115.3	L350 F356 L357	L350-G354 PolarHBondContact O-N 3.18Å; G354-F356 VanDerWaalsContact C-N 3.26Å; G354-F356 PolarHBondContact O-N 3.08Å; G354-L357 WeakPolarHBondContact O-CB 3.43Å; G354-L357 VanDerWaalsContact O-CD1 3.32Å; G354-L357 WeakPolarHBondContact O-CD1 3.34Å; G354-L357 WeakPolarHBondContact O-CG 3.4Å; G354-L357 PolarHBondContact O-N 3.19Å
355	E	87	Confident	94.5	Very high	99 Å²	99	39.2 Å²	39.2	46%	0.463	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-61.4	-35.2	-179.7	-59	-53.9	120	0	0	112.4	L350 L357	L350-E355 HydrophobicContact CD2-CG 4.29Å; L350-E355 PolarHBondContact O-N 2.87Å; E355-L357 VanDerWaalsContact C-N 3.31Å; E355-L357 PolarHBondContact O-N 3.35Å
356	F	86.8	Confident	94.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-78.9	10.2	-179.8	72.6	-28.3	0	0	0	117.1	T258 L259 M351 G354 N358 Y359 I361 T450 L453 H454	T258-F356 VanDerWaalsContact O-CA 3.28Å; T258-F356 WeakPolarHBondContact O-CA 3.39Å; T258-F356 WeakPolarHBondContact O-CB 3.48Å; L259-F356 HydrophobicContact CD2-CB 3.73Å; L259-F356 HydrophobicContact CD2-CD1 4.32Å; L259-F356 HydrophobicContact CD2-CD2 4.3Å; L259-F356 HydrophobicContact CD2-CG 3.89Å; L259-F356 HydrophobicContact CG-CB 4.4Å; M351-F356 HydrophobicContact CB-CE1 3.91Å; M351-F356 HydrophobicContact CB-CE2 4.36Å; M351-F356 HydrophobicContact CB-CZ 3.76Å; M351-F356 HydrophobicContact CE-CE2 4.44Å; M351-F356 HydrophobicContact CG-CD1 4.46Å; M351-F356 HydrophobicContact CG-CD2 4.15Å; M351-F356 HydrophobicContact CG-CE1 4.03Å; M351-F356 HydrophobicContact CG-CE2 3.68Å; M351-F356 HydrophobicContact CG-CZ 3.6Å; M351-F356 WeakPolarHBondContact O-CE1 3.23Å; M351-F356 HydrophobicContact SD-CE2 3.82Å; M351-F356 HydrophobicContact SD-CZ 4Å; G354-F356 VanDerWaalsContact C-N 3.26Å; G354-F356 PolarHBondContact O-N 3.08Å; F356-N358 VanDerWaalsContact C-N 3.3Å; F356-N358 PolarHBondContact O-N 3.05Å; F356-Y359 WeakPolarHBondContact O-CD2 3.48Å; F356-I361 HydrophobicContact CD2-CD1 4.22Å; F356-T450 HydrophobicContact CE2-CG2 4.24Å; F356-L453 HydrophobicContact CE1-CB 4.48Å; F356-L453 HydrophobicContact CZ-CB 3.9Å; F356-H454 HydrophobicContact CE1-CB 4.43Å; F356-H454 HydrophobicContact CE2-CB 3.77Å; F356-H454 HydrophobicContact CZ-CB 3.71Å
357	L	81.6	Confident	94.5	Very high	39 Å²	39	35.5 Å²	35.5	20%	0.204	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-78.5	-7.5	-169.2	-66.6	175.2	0	0	0	115.9	G354 E355 Y359 Y457 S459	G354-L357 WeakPolarHBondContact O-CB 3.43Å; G354-L357 VanDerWaalsContact O-CD1 3.32Å; G354-L357 WeakPolarHBondContact O-CD1 3.34Å; G354-L357 WeakPolarHBondContact O-CG 3.4Å; G354-L357 PolarHBondContact O-N 3.19Å; E355-L357 VanDerWaalsContact C-N 3.31Å; E355-L357 PolarHBondContact O-N 3.35Å; L357-Y359 VanDerWaalsContact C-N 3.27Å; L357-Y359 PolarHBondContact O-N 2.89Å; L357-Y457 VanDerWaalsContact CD1-CB 3.48Å; L357-Y457 HydrophobicContact CD1-CD1 3.95Å; L357-Y457 HydrophobicContact CD1-CD2 3.63Å; L357-Y457 HydrophobicContact CD1-CE2 4.27Å; L357-Y457 HydrophobicContact CD1-CG 3.41Å; L357-Y457 VanDerWaalsContact CD1-CG 3.41Å; L357-Y457 HydrophobicContact CD2-CD2 3.75Å; L357-Y457 HydrophobicContact CD2-CG 4Å; L357-Y457 HydrophobicContact CG-CD2 4.23Å; L357-Y457 HydrophobicContact CG-CG 4.33Å; L357-S459 PolarHBondContact O-OG 3.03Å
358	N	85.3	Confident	94.4	Very high	126 Å²	126	35.8 Å²	35.8	67%	0.674	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-78.9	0.5	-176	-70.5	-49.6	0	0	0	114.9	F356	F356-N358 VanDerWaalsContact C-N 3.3Å; F356-N358 PolarHBondContact O-N 3.05Å
359	Y	96.3	Very high	94.5	Very high	10 Å²	10	30.9 Å²	30.9	4%	0.039	16%	0.156	C	C	.	.	S	Bend	trans	-114.4	150.7	-170.7	-51.4	-72.4	0	0	0	112.7	T258 F267 Q268 F356 L357 H454	T258-Y359 HydrophobicContact CG2-CD2 3.77Å; T258-Y359 HydrophobicContact CG2-CE2 4.05Å; T258-Y359 HydrophobicContact CG2-CG 4.26Å; T258-Y359 WeakPolarHBondContact O-CE2 3.31Å; F267-Y359 AromaticContact CD2-CD1 3.77Å; F267-Y359 HydrophobicContact CD2-CD1 3.77Å; F267-Y359 AromaticContact CD2-CE1 3.74Å; F267-Y359 HydrophobicContact CD2-CE1 3.74Å; F267-Y359 AromaticContact CE2-CD1 3.58Å; F267-Y359 HydrophobicContact CE2-CD1 3.58Å; F267-Y359 AromaticContact CE2-CE1 3.49Å; F267-Y359 HydrophobicContact CE2-CE1 3.49Å; F267-Y359 VanDerWaalsContact CE2-CE1 3.49Å; F267-Y359 HydrophobicContact CE2-CG 4.18Å; F267-Y359 HydrophobicContact CG-CE1 4.37Å; F267-Y359 HydrophobicContact CZ-CD1 4.44Å; F267-Y359 AromaticContact CZ-CE1 3.95Å; F267-Y359 HydrophobicContact CZ-CE1 3.95Å; Q268-Y359 WeakPolarHBondContact O-CA 3.3Å; F356-Y359 WeakPolarHBondContact O-CD2 3.48Å; L357-Y359 VanDerWaalsContact C-N 3.27Å; L357-Y359 PolarHBondContact O-N 2.89Å; Y359-H454 PolarHBondContact O-CE1 3.39Å; Y359-H454 VanDerWaalsContact O-CE1 3.26Å; Y359-H454 PolarHBondContact O-NE2 3.32Å
360	D	98.2	Very high	94.4	Very high	29 Å²	29	27.6 Å²	27.6	16%	0.155	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	132.1	156	-58	-56.3	0	0	0	107.7	Q268 R269 A270 P460 F524 G528	Q268-D360 PolarHBondContact O-N 3.43Å; R269-D360 CarbonylContact C-O 3.51Å; R269-D360 VanDerWaalsContact CA-O 3.25Å; R269-D360 WeakPolarHBondContact CA-O 3.16Å; R269-D360 HydrophobicContact CB-CB 4.37Å; R269-D360 HydrophobicContact CG-CB 3.93Å; R269-D360 IonicContact CZ-OD2 3.47Å; R269-D360 VanDerWaalsContact CZ-OD2 3.28Å; R269-D360 IonicContact NE-OD2 2.74Å; R269-D360 PolarHBondContact NE-OD2 3.48Å; R269-D360 IonicContact NH2-OD2 3.38Å; R269-D360 PolarHBondContact NH2-OD2 2.89Å; A270-D360 PolarHBondContact N-O 2.83Å; D360-P460 HydrophobicContact CB-CB 4.46Å; D360-P460 WeakPolarHBondContact OD1-CB 3.47Å; D360-P460 WeakPolarHBondContact OD1-CG 3.42Å; D360-F524 HydrophobicContact CB-CE2 3.82Å; D360-F524 HydrophobicContact CB-CZ 3.68Å; D360-F524 WeakPolarHBondContact O-CZ 3.41Å; D360-G528 VanDerWaalsContact OD2-CA 3.29Å; D360-G528 WeakPolarHBondContact OD2-CA 2.96Å
361	I	98.6	Very high	94.4	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	128.3	178.1	-56.5	-170.6	0	0	0	112.2	A270 I272 F356 L363 H454 P460 T461 Y462	A270-I361 HydrophobicContact CB-CG1 4.22Å; A270-I361 WeakPolarHBondContact O-CA 3.26Å; I272-I361 HydrophobicContact CD1-CG2 4.05Å; F356-I361 HydrophobicContact CD2-CD1 4.22Å; I361-L363 HydrophobicContact CG2-CB 4.4Å; I361-L363 HydrophobicContact CG2-CD2 4.29Å; I361-H454 VanDerWaalsContact CG1-CE1 3.48Å; I361-H454 WeakPolarHBondContact CG1-CE1 3.33Å; I361-P460 PolarHBondContact N-O 2.88Å; I361-T461 CarbonylContact O-C 3.53Å; I361-T461 VanDerWaalsContact O-CA 3.29Å; I361-T461 WeakPolarHBondContact O-CA 3.07Å; I361-Y462 PolarHBondContact O-N 3.41Å
362	M	98.9	Very high	94.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135.5	161.5	177.6	-171.2	-68.2	0	0	108.2	A270 I271 I272 Y462 W521 F524 P530 W553	A270-M362 PolarHBondContact O-N 3.15Å; I271-M362 CarbonylContact C-O 3.45Å; I271-M362 VanDerWaalsContact CA-O 3.27Å; I271-M362 WeakPolarHBondContact CA-O 3.33Å; I271-M362 HydrophobicContact CB-CB 4.48Å; I271-M362 HydrophobicContact CD1-SD 4.37Å; I271-M362 HydrophobicContact CG1-CB 4.25Å; I271-M362 HydrophobicContact CG1-SD 4.49Å; I271-M362 HydrophobicContact CG2-CB 4.08Å; I271-M362 HydrophobicContact CG2-CG 4.01Å; I271-M362 HydrophobicContact CG2-SD 3.79Å; I272-M362 PolarHBondContact N-O 3.27Å; M362-Y462 WeakPolarHBondContact CA-O 3.5Å; M362-W521 HydrophobicContact SD-CD2 4.03Å; M362-W521 HydrophobicContact SD-CE3 3.96Å; M362-W521 HydrophobicContact SD-CH2 4.27Å; M362-W521 HydrophobicContact SD-CZ2 4.33Å; M362-W521 HydrophobicContact SD-CZ3 4.08Å; M362-F524 HydrophobicContact CB-CD1 4.13Å; M362-F524 HydrophobicContact CB-CD2 4.49Å; M362-F524 HydrophobicContact CB-CE1 3.85Å; M362-F524 HydrophobicContact CB-CE2 4.23Å; M362-F524 HydrophobicContact CB-CG 4.43Å; M362-F524 HydrophobicContact CB-CZ 3.89Å; M362-F524 HydrophobicContact CE-CB 3.6Å; M362-F524 HydrophobicContact CE-CD1 4.2Å; M362-F524 HydrophobicContact CE-CD2 4.14Å; M362-F524 HydrophobicContact CE-CG 3.72Å; M362-P530 HydrophobicContact CE-CB 3.74Å; M362-P530 HydrophobicContact CE-CG 4.26Å; M362-W553 HydrophobicContact CE-CE3 4.41Å; M362-W553 HydrophobicContact CE-CH2 3.64Å; M362-W553 HydrophobicContact CE-CZ2 4.45Å; M362-W553 HydrophobicContact CE-CZ3 3.62Å; M362-W553 HydrophobicContact CG-CH2 3.72Å; M362-W553 HydrophobicContact CG-CZ2 4.07Å; M362-W553 HydrophobicContact SD-CH2 3.51Å; M362-W553 VanDerWaalsContact SD-CH2 3.51Å; M362-W553 HydrophobicContact SD-CZ2 4.42Å; M362-W553 HydrophobicContact SD-CZ3 3.97Å
363	L	98.8	Very high	94.2	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	162.9	176.8	75.3	178	0	0	0	112.2	I272 I361 S447 T450 A451 T461 Y462 F463 Y464	I272-L363 HydrophobicContact CB-CB 3.9Å; I272-L363 HydrophobicContact CG2-CB 4.46Å; I272-L363 VanDerWaalsContact O-CA 3.27Å; I272-L363 WeakPolarHBondContact O-CA 3.33Å; I272-L363 WeakPolarHBondContact O-CB 3.41Å; I361-L363 HydrophobicContact CG2-CB 4.4Å; I361-L363 HydrophobicContact CG2-CD2 4.29Å; L363-S447 WeakPolarHBondContact CD1-O 3.4Å; L363-T450 HydrophobicContact CD1-CG2 3.83Å; L363-A451 HydrophobicContact CD1-CB 4.1Å; L363-A451 HydrophobicContact CD2-CB 3.96Å; L363-A451 HydrophobicContact CG-CB 4.39Å; L363-T461 HydrophobicContact CD2-CG2 3.82Å; L363-Y462 PolarHBondContact N-O 3.26Å; L363-F463 HydrophobicContact CD2-CD2 3.87Å; L363-F463 HydrophobicContact CG-CD2 3.86Å; L363-F463 HydrophobicContact CG-CE2 4.06Å; L363-F463 CarbonylContact O-C 3.57Å; L363-F463 VanDerWaalsContact O-CA 3.24Å; L363-F463 WeakPolarHBondContact O-CA 3.4Å; L363-Y464 VanDerWaalsContact O-CD1 3.32Å; L363-Y464 WeakPolarHBondContact O-CD1 3.06Å; L363-Y464 PolarHBondContact O-N 2.74Å
364	G	98.6	Very high	94.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.6	178.7	179.8	0	0	0	0	0	113.4	I272 S274 Y464	I272-G364 PolarHBondContact O-N 2.83Å; S274-G364 PolarHBondContact N-O 3.29Å; G364-Y464 WeakPolarHBondContact CA-O 3.27Å
365	V	98.8	Very high	93.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	160.8	-170.1	-64.9	0	0	0	0	111.5	E369 W443 V444 S447 F463 Y464 A465 F466 Y576	V365-E369 WeakPolarHBondContact CA-OE1 3.24Å; V365-W443 HydrophobicContact CG1-CB 4.03Å; V365-V444 HydrophobicContact CG2-CG2 4.17Å; V365-S447 WeakPolarHBondContact CG1-OG 3.31Å; V365-F463 HydrophobicContact CG2-CZ 4.48Å; V365-Y464 PolarHBondContact N-O 2.73Å; V365-A465 CarbonylContact O-C 3.39Å; V365-A465 VanDerWaalsContact O-CA 3.27Å; V365-A465 WeakPolarHBondContact O-CA 3.32Å; V365-F466 PolarHBondContact O-N 3.15Å; V365-Y576 HydrophobicContact CG2-CD1 4.37Å; V365-Y576 HydrophobicContact CG2-CE1 3.52Å
366	N	98.6	Very high	93.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	156.9	176.6	-57.9	-16.1	0	0	0	110.4	G368 E369 F466 A481 A482 E486	N366-G368 VanDerWaalsContact C-N 3.29Å; N366-G368 PolarHBondContact O-N 3.12Å; N366-E369 HydrophobicContact CB-CG 4.36Å; N366-E369 PolarHBondContact N-OE1 2.8Å; N366-F466 HydrophobicContact CB-CB 4.46Å; N366-F466 WeakPolarHBondContact OD1-CB 3.5Å; N366-A481 HydrophobicContact CB-CB 4.27Å; N366-A482 PolarHBondContact ND2-O 3.38Å; N366-E486 PolarHBondContact ND2-OE2 3.25Å
367	Q	97.4	Very high	94.2	Very high	33 Å²	33	24.8 Å²	24.8	15%	0.154	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.7	-172.2	-176.2	-170.8	-19.9	0	0	114.6	F466 Y467 D480 A481	Q367-F466 WeakPolarHBondContact CB-O 3.49Å; Q367-F466 PolarHBondContact N-O 3.07Å; Q367-Y467 HydrophobicContact CB-CD1 4.1Å; Q367-Y467 HydrophobicContact CB-CE1 4.42Å; Q367-Y467 HydrophobicContact CB-CG 4.27Å; Q367-Y467 HydrophobicContact CG-CD1 3.66Å; Q367-Y467 HydrophobicContact CG-CE1 3.72Å; Q367-Y467 HydrophobicContact CG-CG 4.33Å; Q367-D480 HydrophobicContact CB-CB 4.26Å; Q367-D480 HydrophobicContact CG-CB 4.05Å; Q367-D480 PolarHBondContact NE2-OD1 3.11Å; Q367-D480 PolarHBondContact NE2-OD2 2.85Å; Q367-A481 HydrophobicContact CB-CB 4.34Å; Q367-A481 PolarHBondContact N-O 2.92Å
368	G	96.3	Very high	94.7	Very high	5 Å²	5	24.6 Å²	24.6	5%	0.052	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-147.6	48.2	-171.7	0	0	0	0	0	112.5	N366 G370 L371 A481	N366-G368 VanDerWaalsContact C-N 3.29Å; N366-G368 PolarHBondContact O-N 3.12Å; G368-G370 PolarHBondContact O-N 2.85Å; G368-G370 VanDerWaalsContact O-N 3.12Å; G368-L371 PolarHBondContact O-N 3.12Å; G368-A481 CarbonylContact C-O 3.56Å; G368-A481 WeakPolarHBondContact CA-O 3.33Å; G368-A481 PolarHBondContact N-O 2.88Å
369	E	97.3	Very high	95	Very high	3 Å²	3	21.2 Å²	21.2	1%	0.014	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-38.9	-49.2	176.4	-56.7	-81	-169.2	0	0	112.3	S274 V365 N366 L371 T439 W443 H483	S274-E369 WeakPolarHBondContact CB-OE1 3.17Å; S274-E369 PolarHBondContact OG-OE1 3.32Å; V365-E369 WeakPolarHBondContact CA-OE1 3.24Å; N366-E369 HydrophobicContact CB-CG 4.36Å; N366-E369 PolarHBondContact N-OE1 2.8Å; E369-L371 PolarHBondContact O-N 2.87Å; E369-T439 HydrophobicContact CB-CG2 3.95Å; E369-T439 HydrophobicContact CG-CG2 3.83Å; E369-T439 PolarHBondContact N-OG1 2.95Å; E369-W443 HydrophobicContact CB-CD2 3.44Å; E369-W443 VanDerWaalsContact CB-CD2 3.44Å; E369-W443 HydrophobicContact CB-CE3 3.31Å; E369-W443 HydrophobicContact CB-CG 4.06Å; E369-W443 HydrophobicContact CB-CH2 3.85Å; E369-W443 HydrophobicContact CB-CZ2 3.99Å; E369-W443 HydrophobicContact CB-CZ3 3.53Å; E369-W443 HydrophobicContact CG-CB 3.98Å; E369-W443 HydrophobicContact CG-CD2 3.72Å; E369-W443 HydrophobicContact CG-CE3 3.99Å; E369-W443 HydrophobicContact CG-CG 3.76Å; E369-H483 VanDerWaalsContact OE2-CA 3.27Å; E369-H483 WeakPolarHBondContact OE2-CA 3.37Å; E369-H483 IonicContact OE2-CE1 2.76Å; E369-H483 IonicContact OE2-CG 3.97Å; E369-H483 IonicContact OE2-ND1 3.78Å; E369-H483 PolarHBondContact OE2-ND1 2.83Å
370	G	95	Very high	94.8	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.01	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	26.8	-175.4	0	0	0	0	0	116.6	G368 K372 F373 T439	G368-G370 PolarHBondContact O-N 2.85Å; G368-G370 VanDerWaalsContact O-N 3.12Å; G370-K372 VanDerWaalsContact C-N 3.27Å; G370-K372 PolarHBondContact O-N 2.57Å; G370-F373 WeakPolarHBondContact O-CB 3.47Å; G370-F373 PolarHBondContact O-N 2.99Å; G370-F373 VanDerWaalsContact O-N 3.08Å; G370-T439 PolarHBondContact N-OG1 3.36Å
371	L	94.6	Very high	94.4	Very high	10 Å²	10	34.5 Å²	34.5	5%	0.052	20%	0.203	C	C	.	.	H	α-helix	trans	-51.8	-45.9	176.4	177.6	60.5	0	0	0	112.1	V121 G368 E369 F373 V374 W478 A482	V121-L371 HydrophobicContact CG2-CD2 4.32Å; G368-L371 PolarHBondContact O-N 3.12Å; E369-L371 PolarHBondContact O-N 2.87Å; L371-F373 PolarHBondContact O-N 2.94Å; L371-V374 WeakPolarHBondContact O-CG2 3.48Å; L371-V374 PolarHBondContact O-N 3.21Å; L371-W478 HydrophobicContact CD1-CH2 3.47Å; L371-W478 VanDerWaalsContact CD1-CH2 3.47Å; L371-W478 HydrophobicContact CD1-CZ2 4.45Å; L371-W478 HydrophobicContact CD1-CZ3 3.55Å; L371-A482 HydrophobicContact CB-CB 3.78Å; L371-A482 HydrophobicContact CD2-CB 3.72Å; L371-A482 HydrophobicContact CG-CB 4.4Å
372	K	92.7	Very high	94.1	Very high	37 Å²	37	37.8 Å²	37.8	16%	0.161	22%	0.221	C	C	.	.	H	α-helix	trans	-68.7	-13.3	-179.6	-77.2	-69.5	-174.4	175.2	0	114.5	E116 V117 G370 E375	E116-K372 HydrophobicContact CB-CD 4.24Å; E116-K372 VanDerWaalsContact OE2-CE 3.3Å; E116-K372 WeakPolarHBondContact OE2-CE 3.46Å; E116-K372 IonicContact OE2-NZ 3.72Å; E116-K372 PolarHBondContact OE2-NZ 3.38Å; V117-K372 HydrophobicContact CG1-CB 4.27Å; G370-K372 VanDerWaalsContact C-N 3.27Å; G370-K372 PolarHBondContact O-N 2.57Å; K372-E375 WeakPolarHBondContact CD-OE2 3.43Å; K372-E375 WeakPolarHBondContact CE-OE2 3.32Å; K372-E375 IonicContact NZ-OE1 3.01Å; K372-E375 IonicContact NZ-OE2 3.29Å; K372-E375 PolarHBondContact NZ-OE2 3.11Å
373	F	93.2	Very high	93.9	Very high	15 Å²	15	37.9 Å²	37.9	7%	0.066	22%	0.222	C	C	.	.	H	α-helix	trans	-72.7	-32.4	176.3	172.3	-109	0	0	0	112.7	Y330 G370 L371 F396 L434 F438	Y330-F373 WeakPolarHBondContact OH-CE2 3.36Å; G370-F373 WeakPolarHBondContact O-CB 3.47Å; G370-F373 PolarHBondContact O-N 2.99Å; G370-F373 VanDerWaalsContact O-N 3.08Å; L371-F373 PolarHBondContact O-N 2.94Å; F373-F396 HydrophobicContact CE2-CB 4.25Å; F373-F396 HydrophobicContact CE2-CD2 4.29Å; F373-F396 HydrophobicContact CZ-CB 4.09Å; F373-F396 HydrophobicContact CZ-CD2 4.44Å; F373-L434 HydrophobicContact CE1-CB 4.21Å; F373-L434 HydrophobicContact CE1-CD2 4.26Å; F373-F438 HydrophobicContact CB-CB 3.85Å; F373-F438 HydrophobicContact CB-CD1 3.55Å; F373-F438 HydrophobicContact CB-CD2 4.2Å; F373-F438 HydrophobicContact CB-CE1 4.12Å; F373-F438 HydrophobicContact CB-CG 3.59Å; F373-F438 HydrophobicContact CD1-CB 3.59Å; F373-F438 HydrophobicContact CD1-CD2 4.35Å; F373-F438 HydrophobicContact CD1-CG 4.04Å; F373-F438 HydrophobicContact CD2-CB 4.28Å; F373-F438 HydrophobicContact CD2-CD1 4.4Å; F373-F438 AromaticContact CD2-CD2 3.52Å; F373-F438 HydrophobicContact CD2-CD2 3.52Å; F373-F438 AromaticContact CD2-CE2 3.9Å; F373-F438 HydrophobicContact CD2-CE2 3.9Å; F373-F438 AromaticContact CD2-CG 3.82Å; F373-F438 HydrophobicContact CD2-CG 3.82Å; F373-F438 HydrophobicContact CD2-CZ 4.46Å; F373-F438 HydrophobicContact CE1-CB 4.17Å; F373-F438 AromaticContact CE2-CD2 3.91Å; F373-F438 HydrophobicContact CE2-CD2 3.91Å; F373-F438 HydrophobicContact CE2-CE2 4.37Å; F373-F438 HydrophobicContact CG-CB 3.65Å; F373-F438 HydrophobicContact CG-CD1 4.05Å; F373-F438 AromaticContact CG-CD2 3.78Å; F373-F438 HydrophobicContact CG-CD2 3.78Å; F373-F438 HydrophobicContact CG-CE2 4.46Å; F373-F438 AromaticContact CG-CG 3.56Å; F373-F438 HydrophobicContact CG-CG 3.56Å; F373-F438 HydrophobicContact CZ-CD2 4.47Å
374	V	91.9	Very high	93.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-97	-17.7	-176.5	-58.3	0	0	0	0	114.4	L371 G376 V377 V378 R431 L434 V435 W478	L371-V374 WeakPolarHBondContact O-CG2 3.48Å; L371-V374 PolarHBondContact O-N 3.21Å; V374-G376 VanDerWaalsContact C-N 3.26Å; V374-G376 PolarHBondContact O-N 2.79Å; V374-G376 VanDerWaalsContact O-N 3.07Å; V374-V377 HydrophobicContact CB-CG2 4.37Å; V374-V377 CarbonylContact O-C 3.54Å; V374-V377 WeakPolarHBondContact O-CG2 3.31Å; V374-V377 PolarHBondContact O-N 3.17Å; V374-V378 HydrophobicContact CB-CG2 4.1Å; V374-V378 HydrophobicContact CG2-CG2 3.86Å; V374-V378 WeakPolarHBondContact O-CG2 3.36Å; V374-V378 PolarHBondContact O-N 3.18Å; V374-R431 HydrophobicContact CG2-CG 4.3Å; V374-L434 HydrophobicContact CG1-CB 3.51Å; V374-L434 HydrophobicContact CG1-CD1 4.43Å; V374-V435 HydrophobicContact CB-CG2 4.27Å; V374-V435 HydrophobicContact CG1-CG2 3.72Å; V374-V435 HydrophobicContact CG2-CG2 3.5Å; V374-W478 HydrophobicContact CG2-CH2 3.96Å
375	E	85.6	Confident	93.7	Very high	93 Å²	93	39.4 Å²	39.4	44%	0.435	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-52.5	-38.8	-167.7	-170.4	173.6	-134.3	0	0	114	K372 V377	K372-E375 WeakPolarHBondContact CD-OE2 3.43Å; K372-E375 WeakPolarHBondContact CE-OE2 3.32Å; K372-E375 IonicContact NZ-OE1 3.01Å; K372-E375 IonicContact NZ-OE2 3.29Å; K372-E375 PolarHBondContact NZ-OE2 3.11Å; E375-V377 VanDerWaalsContact C-N 3.27Å; E375-V377 PolarHBondContact O-N 3.27Å
376	G	87.4	Confident	93.6	Very high	82 Å²	82	41 Å²	41	85%	0.845	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-76.5	0.2	176.8	0	0	0	0	0	116.3	V374	V374-G376 VanDerWaalsContact C-N 3.26Å; V374-G376 PolarHBondContact O-N 2.79Å; V374-G376 VanDerWaalsContact O-N 3.07Å
377	V	92.5	Very high	93.4	Very high	35 Å²	35	46 Å²	46	21%	0.212	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-130.7	6.4	178.9	-61.7	0	0	0	0	113.9	V374 E375 V384 D388	V374-V377 HydrophobicContact CB-CG2 4.37Å; V374-V377 CarbonylContact O-C 3.54Å; V374-V377 WeakPolarHBondContact O-CG2 3.31Å; V374-V377 PolarHBondContact O-N 3.17Å; E375-V377 VanDerWaalsContact C-N 3.27Å; E375-V377 PolarHBondContact O-N 3.27Å; V377-V384 HydrophobicContact CG2-CG1 4.29Å; V377-V384 HydrophobicContact CG2-CG2 4.45Å; V377-D388 HydrophobicContact CB-CB 4.13Å; V377-D388 HydrophobicContact CG1-CB 4.37Å
378	V	93.2	Very high	93.4	Very high	35 Å²	35	47.4 Å²	47.4	21%	0.212	29%	0.288	C	S	.	.			trans	-80.5	131.5	172	-177.2	0	0	0	0	109.9	V374 G383 V384 R431 W478	V374-V378 HydrophobicContact CB-CG2 4.1Å; V374-V378 HydrophobicContact CG2-CG2 3.86Å; V374-V378 WeakPolarHBondContact O-CG2 3.36Å; V374-V378 PolarHBondContact O-N 3.18Å; V378-G383 CarbonylContact C-O 3.59Å; V378-G383 VanDerWaalsContact CA-O 3.28Å; V378-G383 WeakPolarHBondContact CA-O 3.48Å; V378-G383 WeakPolarHBondContact CG1-O 3.34Å; V378-V384 HydrophobicContact CG2-CG2 4.15Å; V378-R431 HydrophobicContact CG2-CG 3.96Å; V378-W478 HydrophobicContact CG1-CZ2 4.18Å; V378-W478 HydrophobicContact CG2-CH2 4.28Å; V378-W478 HydrophobicContact CG2-CZ2 3.99Å
379	D	91.8	Very high	93.4	Very high	54 Å²	54	47.6 Å²	47.6	29%	0.289	29%	0.287	S	S	.	.			trans	-84.5	165.7	177.1	67.6	52.9	0	0	0	112.6	E381 D382 G383	D379-E381 PolarHBondContact O-N 2.99Å; D379-E381 VanDerWaalsContact O-N 3.08Å; D379-E381 WeakPolarHBondContact OD1-CA 3.26Å; D379-E381 PolarHBondContact OD1-N 3.46Å; D379-D382 WeakPolarHBondContact O-CA 3.3Å; D379-D382 PolarHBondContact O-N 3.45Å; D379-D382 PolarHBondContact OD1-N 2.96Å; D379-G383 PolarHBondContact N-O 2.75Å; D379-G383 WeakPolarHBondContact OD1-CA 3.22Å; D379-G383 PolarHBondContact OD1-N 2.78Å; D379-G383 WeakPolarHBondContact OD2-CA 3.23Å
380	P	90.9	Very high	93.3	Very high	139 Å²	139	50.8 Å²	50.8	90%	0.903	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-5.2	-178.7	-23.1	35.5	0	0	0	116	D382	P380-D382 VanDerWaalsContact C-N 3.33Å
381	E	91.5	Very high	93.4	Very high	179 Å²	179	57.5 Å²	57.5	84%	0.836	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	18.8	170.7	-58.6	-169.3	167.4	0	0	111.2	D379 G383	D379-E381 PolarHBondContact O-N 2.99Å; D379-E381 VanDerWaalsContact O-N 3.08Å; D379-E381 WeakPolarHBondContact OD1-CA 3.26Å; D379-E381 PolarHBondContact OD1-N 3.46Å; E381-G383 PolarHBondContact O-N 2.87Å
382	D	92.1	Very high	93.4	Very high	71 Å²	71	57.6 Å²	57.6	38%	0.38	33%	0.332	S	S	.	.	S	Bend	trans	59.7	18.9	-174	-66.2	-43.7	0	0	0	113.9	D379 P380 R431 W478	D379-D382 WeakPolarHBondContact O-CA 3.3Å; D379-D382 PolarHBondContact O-N 3.45Å; D379-D382 PolarHBondContact OD1-N 2.96Å; P380-D382 VanDerWaalsContact C-N 3.33Å; D382-R431 WeakPolarHBondContact O-CD 3.45Å; D382-R431 PolarHBondContact O-NH1 3.46Å; D382-W478 HydrophobicContact CB-CG 4.46Å; D382-W478 VanDerWaalsContact CG-NE1 3.34Å; D382-W478 PolarHBondContact OD1-NE1 2.96Å; D382-W478 VanDerWaalsContact OD2-CD1 3.3Å
383	G	94	Very high	93.5	Very high	2 Å²	2	55.8 Å²	55.8	2%	0.021	32%	0.324	C	S	.	.			trans	-87.2	174.3	177.9	0	0	0	0	0	114.3	V378 D379 E381 P427	V378-G383 CarbonylContact C-O 3.59Å; V378-G383 VanDerWaalsContact CA-O 3.28Å; V378-G383 WeakPolarHBondContact CA-O 3.48Å; V378-G383 WeakPolarHBondContact CG1-O 3.34Å; D379-G383 PolarHBondContact N-O 2.75Å; D379-G383 WeakPolarHBondContact OD1-CA 3.22Å; D379-G383 PolarHBondContact OD1-N 2.78Å; D379-G383 WeakPolarHBondContact OD2-CA 3.23Å; E381-G383 PolarHBondContact O-N 2.87Å; G383-P427 VanDerWaalsContact CA-CB 3.45Å
384	V	96.9	Very high	93.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	33%	0.33	C	S	.	.			trans	-131.4	137.5	157.5	178	0	0	0	0	108.2	V377 V378 D388 P427 R430 R431 L434	V377-V384 HydrophobicContact CG2-CG1 4.29Å; V377-V384 HydrophobicContact CG2-CG2 4.45Å; V378-V384 HydrophobicContact CG2-CG2 4.15Å; V384-D388 HydrophobicContact CG1-CB 3.87Å; V384-P427 PolarHBondContact N-O 2.98Å; V384-R430 VanDerWaalsContact O-CZ 3.28Å; V384-R430 PolarHBondContact O-NE 2.77Å; V384-R430 PolarHBondContact O-NH2 3.3Å; V384-R431 HydrophobicContact CB-CB 4.37Å; V384-R431 HydrophobicContact CG2-CB 3.68Å; V384-R431 HydrophobicContact CG2-CG 3.77Å; V384-L434 HydrophobicContact CB-CD1 4.31Å; V384-L434 HydrophobicContact CG1-CD1 3.7Å; V384-L434 HydrophobicContact CG2-CD1 4.36Å
385	S	96.9	Very high	93.5	Very high	34 Å²	34	57.9 Å²	57.9	24%	0.238	34%	0.338	C	S	.	.			trans	-71.5	165.2	-179.3	89.8	0	0	0	0	112.7	T387 D388 F389 R430	S385-T387 VanDerWaalsContact C-N 3.35Å; S385-T387 PolarHBondContact OG-N 3.36Å; S385-T387 PolarHBondContact OG-OG1 3.3Å; S385-D388 VanDerWaalsContact CB-OD2 3.26Å; S385-D388 WeakPolarHBondContact CB-OD2 3.27Å; S385-D388 PolarHBondContact OG-N 3.48Å; S385-D388 PolarHBondContact OG-OD2 3.06Å; S385-F389 WeakPolarHBondContact O-CB 3.47Å; S385-F389 PolarHBondContact O-N 2.79Å; S385-R430 PolarHBondContact O-NE 2.77Å
386	G	95.4	Very high	93.9	Very high	33 Å²	33	53.4 Å²	53.4	34%	0.34	32%	0.317	S	S	.	.	H	α-helix	trans	-66.1	-37.8	174.3	0	0	0	0	0	112.5	F389 D390	G386-F389 PolarHBondContact O-N 3.15Å; G386-D390 PolarHBondContact O-N 3.39Å
387	T	95.8	Very high	94.1	Very high	106 Å²	106	49.5 Å²	49.5	65%	0.65	28%	0.277	S	S	*	.	H	α-helix	trans	-68.5	-37.8	177.2	34.6	0	0	0	0	112.6	S385 D390 Y391	S385-T387 VanDerWaalsContact C-N 3.35Å; S385-T387 PolarHBondContact OG-N 3.36Å; S385-T387 PolarHBondContact OG-OG1 3.3Å; T387-D390 PolarHBondContact O-N 2.92Å; T387-Y391 VanDerWaalsContact O-CB 3.29Å; T387-Y391 WeakPolarHBondContact O-CB 3.11Å; T387-Y391 PolarHBondContact O-N 3.32Å
388	D	96.7	Very high	93.9	Very high	62 Å²	62	50.3 Å²	50.3	33%	0.332	28%	0.28	S	S	.	.	H	α-helix	trans	-76.1	-29.6	178.4	-58.1	-50.3	0	0	0	111.8	V377 V384 S385 S392	V377-D388 HydrophobicContact CB-CB 4.13Å; V377-D388 HydrophobicContact CG1-CB 4.37Å; V384-D388 HydrophobicContact CG1-CB 3.87Å; S385-D388 VanDerWaalsContact CB-OD2 3.26Å; S385-D388 WeakPolarHBondContact CB-OD2 3.27Å; S385-D388 PolarHBondContact OG-N 3.48Å; S385-D388 PolarHBondContact OG-OD2 3.06Å; D388-S392 WeakPolarHBondContact O-CB 3.27Å; D388-S392 PolarHBondContact O-N 2.62Å; D388-S392 PolarHBondContact O-OG 3.28Å
389	F	96.9	Very high	93.8	Very high	9 Å²	9	51 Å²	51	4%	0.039	28%	0.283	C	S	.	.	H	α-helix	trans	-61.8	-55.1	166.9	-179.5	-84.2	0	0	0	111	S385 G386 Y391 S392 V393 K415 Y418 R430 L434	S385-F389 WeakPolarHBondContact O-CB 3.47Å; S385-F389 PolarHBondContact O-N 2.79Å; G386-F389 PolarHBondContact O-N 3.15Å; F389-Y391 VanDerWaalsContact C-N 3.32Å; F389-Y391 PolarHBondContact O-N 2.76Å; F389-S392 PolarHBondContact O-N 3.08Å; F389-V393 HydrophobicContact CD1-CG2 4.23Å; F389-V393 HydrophobicContact CE1-CG2 3.89Å; F389-V393 HydrophobicContact CZ-CG2 4.05Å; F389-V393 WeakPolarHBondContact O-CG2 3.13Å; F389-V393 PolarHBondContact O-N 3.28Å; F389-K415 HydrophobicContact CE1-CB 4.39Å; F389-K415 HydrophobicContact CE1-CG 4.4Å; F389-Y418 WeakPolarHBondContact CZ-O 3.06Å; F389-R430 HydrophobicContact CD2-CB 4.01Å; F389-R430 HydrophobicContact CD2-CG 4.23Å; F389-L434 HydrophobicContact CB-CD1 4.34Å; F389-L434 HydrophobicContact CD2-CD1 3.86Å; F389-L434 HydrophobicContact CD2-CD2 3.61Å; F389-L434 HydrophobicContact CD2-CG 3.51Å; F389-L434 HydrophobicContact CE2-CD2 3.83Å; F389-L434 HydrophobicContact CE2-CG 3.88Å; F389-L434 HydrophobicContact CG-CD1 4.5Å; F389-L434 HydrophobicContact CG-CD2 4.24Å; F389-L434 HydrophobicContact CG-CG 4.44Å
390	D	95.1	Very high	93.6	Very high	69 Å²	69	50 Å²	50	37%	0.369	28%	0.277	S	S	.	.	H	α-helix	trans	-58	-44.2	178.8	-87.6	-30	0	0	0	111.9	G386 T387 S394 K415	G386-D390 PolarHBondContact O-N 3.39Å; T387-D390 PolarHBondContact O-N 2.92Å; D390-S394 WeakPolarHBondContact O-CB 3.42Å; D390-S394 PolarHBondContact O-N 2.56Å; D390-S394 PolarHBondContact O-OG 2.91Å; D390-K415 WeakPolarHBondContact OD1-CD 3.23Å; D390-K415 WeakPolarHBondContact OD1-CE 3.25Å; D390-K415 IonicContact OD1-NZ 2.77Å; D390-K415 PolarHBondContact OD1-NZ 2.84Å
391	Y	95.3	Very high	93.3	Very high	143 Å²	143	45.1 Å²	45.1	56%	0.561	24%	0.241	S	C	*	.	H	α-helix	trans	-63.5	-46.7	176.3	178	-101.8	0	0	0	112.1	T387 F389 V393 S394 N395	T387-Y391 VanDerWaalsContact O-CB 3.29Å; T387-Y391 WeakPolarHBondContact O-CB 3.11Å; T387-Y391 PolarHBondContact O-N 3.32Å; F389-Y391 VanDerWaalsContact C-N 3.32Å; F389-Y391 PolarHBondContact O-N 2.76Å; Y391-V393 PolarHBondContact O-N 2.96Å; Y391-S394 PolarHBondContact O-N 2.81Å; Y391-N395 HydrophobicContact CE1-CB 4.41Å; Y391-N395 WeakPolarHBondContact CE1-ND2 3.11Å; Y391-N395 WeakPolarHBondContact O-CB 3.4Å; Y391-N395 PolarHBondContact O-N 3.39Å; Y391-N395 PolarHBondContact OH-ND2 2.02Å; Y391-N395 VanDerWaalsContact OH-ND2 3.12Å
392	S	95.9	Very high	92.6	Very high	11 Å²	11	38.6 Å²	38.6	8%	0.077	22%	0.221	C	C	.	.	H	α-helix	trans	-62.1	-43.8	-179.8	-64.2	0	0	0	0	112.1	D388 F389 F396	D388-S392 WeakPolarHBondContact O-CB 3.27Å; D388-S392 PolarHBondContact O-N 2.62Å; D388-S392 PolarHBondContact O-OG 3.28Å; F389-S392 PolarHBondContact O-N 3.08Å; S392-F396 WeakPolarHBondContact O-CB 3.45Å; S392-F396 PolarHBondContact O-N 3.1Å
393	V	95.2	Very high	91.4	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.7	-44.6	174.8	177.9	0	0	0	0	110.9	F389 Y391 F396 V397 I414 K415 L434 L437	F389-V393 HydrophobicContact CD1-CG2 4.23Å; F389-V393 HydrophobicContact CE1-CG2 3.89Å; F389-V393 HydrophobicContact CZ-CG2 4.05Å; F389-V393 WeakPolarHBondContact O-CG2 3.13Å; F389-V393 PolarHBondContact O-N 3.28Å; Y391-V393 PolarHBondContact O-N 2.96Å; V393-F396 PolarHBondContact O-N 3.14Å; V393-V397 HydrophobicContact CG1-CG2 4.43Å; V393-V397 WeakPolarHBondContact O-CB 3.45Å; V393-V397 VanDerWaalsContact O-CG2 3.27Å; V393-V397 WeakPolarHBondContact O-CG2 3.33Å; V393-V397 PolarHBondContact O-N 2.9Å; V393-I414 HydrophobicContact CG1-CB 4.16Å; V393-I414 HydrophobicContact CG1-CG2 3.67Å; V393-K415 HydrophobicContact CB-CG 4.1Å; V393-K415 HydrophobicContact CG1-CG 3.73Å; V393-K415 HydrophobicContact CG2-CG 4.36Å; V393-L434 HydrophobicContact CG2-CD2 3.98Å; V393-L437 HydrophobicContact CG1-CD1 4.46Å; V393-L437 HydrophobicContact CG2-CD1 3.77Å
394	S	92.4	Very high	89.5	Confident	28 Å²	28	46.5 Å²	46.5	20%	0.196	25%	0.253	C	S	.	.	H	α-helix	trans	-60	-50.9	178.7	-54.9	0	0	0	0	111.5	D390 Y391 V397 D398 R411	D390-S394 WeakPolarHBondContact O-CB 3.42Å; D390-S394 PolarHBondContact O-N 2.56Å; D390-S394 PolarHBondContact O-OG 2.91Å; Y391-S394 PolarHBondContact O-N 2.81Å; S394-V397 PolarHBondContact O-N 3.46Å; S394-D398 WeakPolarHBondContact O-CB 3.47Å; S394-D398 PolarHBondContact O-N 3.37Å; S394-R411 WeakPolarHBondContact OG-CD 3.11Å
395	N	92.3	Very high	87.5	Confident	30 Å²	30	54.6 Å²	54.6	16%	0.16	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-40.6	-179.1	-171.1	-16.9	0	0	0	111.6	R329 Y391 D398 N399	R329-N395 PolarHBondContact NH1-ND2 2.82Å; R329-N395 PolarHBondContact NH1-OD1 2.8Å; R329-N395 VanDerWaalsContact NH1-OD1 3.1Å; Y391-N395 HydrophobicContact CE1-CB 4.41Å; Y391-N395 WeakPolarHBondContact CE1-ND2 3.11Å; Y391-N395 WeakPolarHBondContact O-CB 3.4Å; Y391-N395 PolarHBondContact O-N 3.39Å; Y391-N395 PolarHBondContact OH-ND2 2.02Å; Y391-N395 VanDerWaalsContact OH-ND2 3.12Å; N395-D398 PolarHBondContact O-N 3.08Å; N395-N399 PolarHBondContact O-N 2.9Å; N395-N399 PolarHBondContact O-ND2 2.92Å; N395-N399 PolarHBondContact OD1-ND2 3.4Å
396	F	93.6	Very high	85.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-56.8	-54.3	171.3	172.2	-94.4	0	0	0	111.6	Y330 F373 S392 V393 D398 N399 L400 L437 F438 H441 W584	Y330-F396 HydrophobicContact CE2-CD2 4.21Å; F373-F396 HydrophobicContact CE2-CB 4.25Å; F373-F396 HydrophobicContact CE2-CD2 4.29Å; F373-F396 HydrophobicContact CZ-CB 4.09Å; F373-F396 HydrophobicContact CZ-CD2 4.44Å; S392-F396 WeakPolarHBondContact O-CB 3.45Å; S392-F396 PolarHBondContact O-N 3.1Å; V393-F396 PolarHBondContact O-N 3.14Å; F396-D398 VanDerWaalsContact C-N 3.26Å; F396-D398 PolarHBondContact O-N 3.21Å; F396-N399 PolarHBondContact O-N 3.49Å; F396-L400 HydrophobicContact CD1-CD1 4.31Å; F396-L400 HydrophobicContact CD2-CD1 3.89Å; F396-L400 HydrophobicContact CE1-CD1 3.79Å; F396-L400 HydrophobicContact CE2-CD1 3.31Å; F396-L400 HydrophobicContact CG-CD1 4.36Å; F396-L400 HydrophobicContact CZ-CD1 3.25Å; F396-L400 PolarHBondContact O-N 3.28Å; F396-L437 HydrophobicContact CD1-CD2 3.64Å; F396-L437 HydrophobicContact CD2-CD2 4Å; F396-L437 HydrophobicContact CE1-CD2 3.68Å; F396-L437 HydrophobicContact CE2-CD2 4.02Å; F396-L437 HydrophobicContact CG-CD2 3.8Å; F396-L437 HydrophobicContact CZ-CD2 3.86Å; F396-F438 AromaticContact CD2-CD2 3.65Å; F396-F438 HydrophobicContact CD2-CD2 3.65Å; F396-F438 AromaticContact CD2-CE2 3.98Å; F396-F438 HydrophobicContact CD2-CE2 3.98Å; F396-F438 AromaticContact CE2-CD2 3.54Å; F396-F438 HydrophobicContact CE2-CD2 3.54Å; F396-F438 AromaticContact CE2-CE2 3.9Å; F396-F438 HydrophobicContact CE2-CE2 3.9Å; F396-H441 HydrophobicContact CE2-CB 4.5Å; F396-H441 HydrophobicContact CZ-CB 3.74Å; F396-H441 AromaticContact CZ-CG 3.61Å; F396-H441 AromaticContact CZ-ND1 3.84Å; F396-W584 AromaticContact CE1-CH2 3.85Å; F396-W584 HydrophobicContact CE1-CH2 3.85Å; F396-W584 HydrophobicContact CE1-CZ2 4.43Å; F396-W584 HydrophobicContact CZ-CH2 4.5Å
397	V	91.4	Very high	84.3	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.6	-38.8	179.4	167.3	0	0	0	0	111.5	V393 S394 Y401 K407 R411 I414	V393-V397 HydrophobicContact CG1-CG2 4.43Å; V393-V397 WeakPolarHBondContact O-CB 3.45Å; V393-V397 VanDerWaalsContact O-CG2 3.27Å; V393-V397 WeakPolarHBondContact O-CG2 3.33Å; V393-V397 PolarHBondContact O-N 2.9Å; S394-V397 PolarHBondContact O-N 3.46Å; V397-Y401 WeakPolarHBondContact O-CB 3.12Å; V397-Y401 PolarHBondContact O-N 3.34Å; V397-K407 VanDerWaalsContact C-NZ 3.28Å; V397-K407 HydrophobicContact CG1-CD 4.11Å; V397-K407 HydrophobicContact CG1-CG 4.42Å; V397-K407 PolarHBondContact O-NZ 2.89Å; V397-R411 HydrophobicContact CG1-CB 4.42Å; V397-I414 HydrophobicContact CG2-CD1 3.38Å
398	D	89	Confident	83.4	Confident	51 Å²	51	53.2 Å²	53.2	27%	0.273	28%	0.277	S	S	.	.	H	α-helix	trans	-77.2	-21.8	-175.3	-65.7	-17.4	0	0	0	115	S394 N395 F396 K407 R411	S394-D398 WeakPolarHBondContact O-CB 3.47Å; S394-D398 PolarHBondContact O-N 3.37Å; N395-D398 PolarHBondContact O-N 3.08Å; F396-D398 VanDerWaalsContact C-N 3.26Å; F396-D398 PolarHBondContact O-N 3.21Å; D398-K407 VanDerWaalsContact CA-NZ 3.3Å; D398-K407 IonicContact OD1-NZ 3.97Å; D398-K407 PolarHBondContact OD1-NZ 3.37Å; D398-R411 IonicContact OD1-CZ 3.75Å; D398-R411 IonicContact OD1-NE 3.7Å; D398-R411 IonicContact OD1-NH2 2.76Å; D398-R411 PolarHBondContact OD1-NH2 3.43Å; D398-R411 IonicContact OD2-CZ 2.78Å; D398-R411 IonicContact OD2-NE 2.68Å; D398-R411 IonicContact OD2-NH2 3.74Å; D398-R411 PolarHBondContact OD2-NH2 3.13Å
399	N	89.8	Confident	82.9	Confident	51 Å²	51	53.4 Å²	53.4	27%	0.273	28%	0.28	S	S	.	.	H	α-helix	trans	-85.6	-28	172	-73.4	-85	0	0	0	113.9	R329 Y330 H331 N395 F396	R329-N399 HydrophobicContact CB-CB 3.94Å; R329-N399 WeakPolarHBondContact CB-OD1 3.32Å; Y330-N399 HydrophobicContact CD2-CB 3.78Å; Y330-N399 HydrophobicContact CE2-CB 3.75Å; H331-N399 PolarHBondContact CE1-O 2.83Å; N395-N399 PolarHBondContact O-N 2.9Å; N395-N399 PolarHBondContact O-ND2 2.92Å; N395-N399 PolarHBondContact OD1-ND2 3.4Å; F396-N399 PolarHBondContact O-N 3.49Å
400	L	87.9	Confident	82.6	Confident	31 Å²	31	53.1 Å²	53.1	16%	0.162	28%	0.279	C	S	.	.	H	α-helix	trans	-92.4	-41.8	-178.3	-71.7	164.1	0	0	0	113	Y330 F396	Y330-L400 HydrophobicContact CD2-CD1 4.33Å; Y330-L400 HydrophobicContact CD2-CD2 4.31Å; Y330-L400 HydrophobicContact CD2-CG 3.98Å; F396-L400 HydrophobicContact CD1-CD1 4.31Å; F396-L400 HydrophobicContact CD2-CD1 3.89Å; F396-L400 HydrophobicContact CE1-CD1 3.79Å; F396-L400 HydrophobicContact CE2-CD1 3.31Å; F396-L400 HydrophobicContact CG-CD1 4.36Å; F396-L400 HydrophobicContact CZ-CD1 3.25Å; F396-L400 PolarHBondContact O-N 3.28Å
401	Y	84.7	Confident	82.3	Confident	38 Å²	38	50.8 Å²	50.8	15%	0.149	27%	0.265	C	S	.	.	S	Bend	trans	-110.1	24.7	-171.9	-57.5	-83.6	0	0	0	113.5	V397 P404 K407 L410 H441 V588 Y592	V397-Y401 WeakPolarHBondContact O-CB 3.12Å; V397-Y401 PolarHBondContact O-N 3.34Å; Y401-P404 WeakPolarHBondContact O-CD 3.5Å; Y401-K407 WeakPolarHBondContact O-CE 3.43Å; Y401-K407 PolarHBondContact O-NZ 3.31Å; Y401-L410 HydrophobicContact CD1-CD2 4.3Å; Y401-L410 HydrophobicContact CD2-CD2 4.19Å; Y401-L410 HydrophobicContact CG-CD2 4.03Å; Y401-H441 AromaticContact CZ-NE2 3.8Å; Y401-H441 PolarHBondContact OH-NE2 2.83Å; Y401-V588 HydrophobicContact CE1-CG1 3.94Å; Y401-V588 WeakPolarHBondContact OH-CG1 3.46Å; Y401-Y592 AromaticContact CD1-CD2 3.89Å; Y401-Y592 HydrophobicContact CD1-CD2 3.89Å; Y401-Y592 HydrophobicContact CD1-CE2 4.11Å; Y401-Y592 HydrophobicContact CG-CD2 4.49Å
402	G	77.3	Confident	82.2	Confident	41 Å²	41	48.8 Å²	48.8	42%	0.423	26%	0.261	S	S	.	.			trans	59.5	-139.6	174.1	0	0	0	0	0	114.9	K407	G402-K407 PolarHBondContact O-NZ 3.34Å
403	Y	67.3	Low	82.1	Confident	185 Å²	185	49.9 Å²	49.9	73%	0.725	27%	0.267	S	S	*	.			trans	-143.8	59.7	171.6	-153.8	-91.2	0	0	0	112.7
404	P	53.8	Low	82.1	Confident	54 Å²	54	49.9 Å²	49.9	35%	0.351	27%	0.267	S	S	.	.			trans	-67.8	158.9	170.3	30.6	-36.2	0	0	0	111.9	Y401 K407 Y592	Y401-P404 WeakPolarHBondContact O-CD 3.5Å; P404-K407 HydrophobicContact CG-CB 4.5Å; P404-K407 HydrophobicContact CG-CD 4.47Å; P404-K407 HydrophobicContact CG-CG 4.38Å; P404-K407 WeakPolarHBondContact O-CB 3.49Å; P404-Y592 HydrophobicContact CG-CE2 4.25Å
405	E	54.5	Low	82.3	Confident	171 Å²	171	49.7 Å²	49.7	80%	0.799	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	150.2	172	-62.9	-169.9	158.3	0	0	111.1	K407 H595	E405-K407 VanDerWaalsContact C-N 3.27Å; E405-K407 PolarHBondContact O-N 3.48Å; E405-H595 PolarHBondContact O-CD2 3.04Å
406	G	58.2	Low	82.5	Confident	34 Å²	34	53.5 Å²	53.5	35%	0.351	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	9.2	177.7	0	0	0	0	0	116	D408 T409 H595	G406-D408 PolarHBondContact O-N 2.65Å; G406-T409 PolarHBondContact O-N 2.68Å; G406-H595 VanDerWaalsContact CA-NE2 3.28Å; G406-H595 WeakPolarHBondContact CA-NE2 3.35Å; G406-H595 PolarHBondContact O-NE2 3.19Å
407	K	66.8	Low	82.6	Confident	9 Å²	9	54.8 Å²	54.8	4%	0.039	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.3	180	-154.1	-171.2	-169.7	-165.8	0	115.2	V397 D398 Y401 G402 P404 E405 T409 L410 R411	V397-K407 VanDerWaalsContact C-NZ 3.28Å; V397-K407 HydrophobicContact CG1-CD 4.11Å; V397-K407 HydrophobicContact CG1-CG 4.42Å; V397-K407 PolarHBondContact O-NZ 2.89Å; D398-K407 VanDerWaalsContact CA-NZ 3.3Å; D398-K407 IonicContact OD1-NZ 3.97Å; D398-K407 PolarHBondContact OD1-NZ 3.37Å; Y401-K407 WeakPolarHBondContact O-CE 3.43Å; Y401-K407 PolarHBondContact O-NZ 3.31Å; G402-K407 PolarHBondContact O-NZ 3.34Å; P404-K407 HydrophobicContact CG-CB 4.5Å; P404-K407 HydrophobicContact CG-CD 4.47Å; P404-K407 HydrophobicContact CG-CG 4.38Å; P404-K407 WeakPolarHBondContact O-CB 3.49Å; E405-K407 VanDerWaalsContact C-N 3.27Å; E405-K407 PolarHBondContact O-N 3.48Å; K407-T409 PolarHBondContact O-N 3.08Å; K407-L410 WeakPolarHBondContact O-CB 3.47Å; K407-L410 PolarHBondContact O-N 3.23Å; K407-R411 PolarHBondContact O-N 2.61Å
408	D	77.5	Confident	82.9	Confident	101 Å²	101	54.9 Å²	54.9	54%	0.54	29%	0.285	S	S	.	.	H	α-helix	trans	-58	-34.3	178.8	-60.4	-23	0	0	0	111.6	G406 L410 R411 E412	G406-D408 PolarHBondContact O-N 2.65Å; D408-L410 PolarHBondContact O-N 3.18Å; D408-R411 PolarHBondContact O-N 2.56Å; D408-R411 IonicContact OD1-CZ 2.73Å; D408-R411 IonicContact OD1-NH1 3.53Å; D408-R411 PolarHBondContact OD1-NH1 2.81Å; D408-E412 WeakPolarHBondContact O-CB 3.42Å; D408-E412 WeakPolarHBondContact O-CG 3.47Å; D408-E412 PolarHBondContact O-N 3.01Å
409	T	87	Confident	83.3	Confident	65 Å²	65	53.7 Å²	53.7	40%	0.399	28%	0.279	S	S	.	.	H	α-helix	trans	-58.7	-44.7	173.5	-52.9	0	0	0	0	112.2	G406 K407 T413 L591	G406-T409 PolarHBondContact O-N 2.68Å; K407-T409 PolarHBondContact O-N 3.08Å; T409-T413 VanDerWaalsContact O-CB 3.29Å; T409-T413 WeakPolarHBondContact O-CB 3.38Å; T409-T413 PolarHBondContact O-N 2.82Å; T409-T413 PolarHBondContact O-OG1 3.32Å; T409-L591 HydrophobicContact CG2-CD2 4.17Å
410	L	88.9	Confident	83.5	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-66.6	-46.9	177.1	174.5	59.2	0	0	0	110.9	Y401 K407 D408 T413 I414 V588 L591	Y401-L410 HydrophobicContact CD1-CD2 4.3Å; Y401-L410 HydrophobicContact CD2-CD2 4.19Å; Y401-L410 HydrophobicContact CG-CD2 4.03Å; K407-L410 WeakPolarHBondContact O-CB 3.47Å; K407-L410 PolarHBondContact O-N 3.23Å; D408-L410 PolarHBondContact O-N 3.18Å; L410-T413 PolarHBondContact O-N 3.14Å; L410-I414 HydrophobicContact CD1-CD1 3.69Å; L410-I414 HydrophobicContact CD1-CG1 4.12Å; L410-I414 HydrophobicContact CG-CD1 3.88Å; L410-I414 WeakPolarHBondContact O-CG1 3.21Å; L410-I414 PolarHBondContact O-N 3.02Å; L410-V588 HydrophobicContact CD1-CB 4.2Å; L410-V588 HydrophobicContact CD1-CG1 3.72Å; L410-V588 HydrophobicContact CD1-CG2 3.79Å; L410-L591 HydrophobicContact CD1-CB 4.4Å; L410-L591 HydrophobicContact CD1-CD1 4.38Å
411	R	90.6	Very high	83.8	Confident	19 Å²	19	54.8 Å²	54.8	7%	0.072	28%	0.278	C	S	.	.	H	α-helix	trans	-61.3	-49.1	-178.2	-167.8	-176.5	-66.2	108	-4.9	112.2	S394 V397 D398 K407 D408 T413 I414 K415	S394-R411 WeakPolarHBondContact OG-CD 3.11Å; V397-R411 HydrophobicContact CG1-CB 4.42Å; D398-R411 IonicContact OD1-CZ 3.75Å; D398-R411 IonicContact OD1-NE 3.7Å; D398-R411 IonicContact OD1-NH2 2.76Å; D398-R411 PolarHBondContact OD1-NH2 3.43Å; D398-R411 IonicContact OD2-CZ 2.78Å; D398-R411 IonicContact OD2-NE 2.68Å; D398-R411 IonicContact OD2-NH2 3.74Å; D398-R411 PolarHBondContact OD2-NH2 3.13Å; K407-R411 PolarHBondContact O-N 2.61Å; D408-R411 PolarHBondContact O-N 2.56Å; D408-R411 IonicContact OD1-CZ 2.73Å; D408-R411 IonicContact OD1-NH1 3.53Å; D408-R411 PolarHBondContact OD1-NH1 2.81Å; R411-T413 VanDerWaalsContact C-N 3.35Å; R411-I414 PolarHBondContact O-N 2.92Å; R411-K415 WeakPolarHBondContact O-CG 3.31Å; R411-K415 PolarHBondContact O-N 3.03Å
412	E	92.8	Very high	84.3	Confident	101 Å²	101	56 Å²	56	47%	0.472	30%	0.296	S	S	.	.	H	α-helix	trans	-70.1	-30.8	178.7	-62.4	-53.5	122.4	0	0	112.1	D408 K415 F416	D408-E412 WeakPolarHBondContact O-CB 3.42Å; D408-E412 WeakPolarHBondContact O-CG 3.47Å; D408-E412 PolarHBondContact O-N 3.01Å; E412-K415 WeakPolarHBondContact OE1-CD 3.38Å; E412-K415 WeakPolarHBondContact OE1-CE 3.44Å; E412-K415 IonicContact OE1-NZ 3.87Å; E412-K415 PolarHBondContact OE1-NZ 2.93Å; E412-K415 WeakPolarHBondContact OE2-CD 3.33Å; E412-K415 IonicContact OE2-NZ 2.89Å; E412-F416 VanDerWaalsContact O-CB 3.3Å; E412-F416 WeakPolarHBondContact O-CB 3.32Å; E412-F416 PolarHBondContact O-N 3.5Å
413	T	94.1	Very high	85	Confident	34 Å²	34	57.1 Å²	57.1	21%	0.209	29%	0.292	C	S	.	.	H	α-helix	trans	-66.7	-41	171.9	-54.7	0	0	0	0	111.5	T409 L410 R411 F416 M417 F583 L587 L591	T409-T413 VanDerWaalsContact O-CB 3.29Å; T409-T413 WeakPolarHBondContact O-CB 3.38Å; T409-T413 PolarHBondContact O-N 2.82Å; T409-T413 PolarHBondContact O-OG1 3.32Å; L410-T413 PolarHBondContact O-N 3.14Å; R411-T413 VanDerWaalsContact C-N 3.35Å; T413-F416 PolarHBondContact O-N 3.05Å; T413-M417 HydrophobicContact CG2-CG 4.31Å; T413-M417 WeakPolarHBondContact O-CB 3.5Å; T413-M417 VanDerWaalsContact O-CG 3.3Å; T413-M417 WeakPolarHBondContact O-CG 3.47Å; T413-M417 PolarHBondContact O-N 2.96Å; T413-F583 HydrophobicContact CG2-CE2 3.82Å; T413-F583 HydrophobicContact CG2-CZ 4.38Å; T413-L587 HydrophobicContact CG2-CD2 4.31Å; T413-L591 HydrophobicContact CG2-CD1 3.93Å
414	I	94.9	Very high	86.2	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-47.3	175.6	-67.8	163.8	0	0	0	110.2	V393 V397 L410 R411 F416 M417 Y418 L437 F583 W584	V393-I414 HydrophobicContact CG1-CB 4.16Å; V393-I414 HydrophobicContact CG1-CG2 3.67Å; V397-I414 HydrophobicContact CG2-CD1 3.38Å; L410-I414 HydrophobicContact CD1-CD1 3.69Å; L410-I414 HydrophobicContact CD1-CG1 4.12Å; L410-I414 HydrophobicContact CG-CD1 3.88Å; L410-I414 WeakPolarHBondContact O-CG1 3.21Å; L410-I414 PolarHBondContact O-N 3.02Å; R411-I414 PolarHBondContact O-N 2.92Å; I414-F416 VanDerWaalsContact C-N 3.32Å; I414-F416 PolarHBondContact O-N 3.37Å; I414-M417 PolarHBondContact O-N 2.78Å; I414-M417 VanDerWaalsContact O-N 3.17Å; I414-Y418 HydrophobicContact CG2-CD2 4.02Å; I414-Y418 HydrophobicContact CG2-CE2 4.48Å; I414-Y418 WeakPolarHBondContact O-CD2 3.2Å; I414-Y418 PolarHBondContact O-N 2.88Å; I414-L437 HydrophobicContact CG2-CD1 3.68Å; I414-L437 HydrophobicContact CG2-CG 4.39Å; I414-F583 HydrophobicContact CB-CZ 4.48Å; I414-F583 HydrophobicContact CG1-CE1 3.99Å; I414-F583 HydrophobicContact CG1-CZ 3.67Å; I414-W584 HydrophobicContact CD1-CH2 3.77Å; I414-W584 HydrophobicContact CD1-CZ3 3.75Å; I414-W584 HydrophobicContact CG1-CH2 3.85Å; I414-W584 HydrophobicContact CG1-CZ3 4Å; I414-W584 HydrophobicContact CG2-CH2 4Å
415	K	95.6	Very high	88	Confident	25 Å²	25	57.1 Å²	57.1	11%	0.109	29%	0.292	C	S	.	.	H	α-helix	trans	-55	-46.9	173.5	-69.3	175.5	-179.8	-173.5	0	112	F389 D390 V393 R411 E412 M417 Y418 T419	F389-K415 HydrophobicContact CE1-CB 4.39Å; F389-K415 HydrophobicContact CE1-CG 4.4Å; D390-K415 WeakPolarHBondContact OD1-CD 3.23Å; D390-K415 WeakPolarHBondContact OD1-CE 3.25Å; D390-K415 IonicContact OD1-NZ 2.77Å; D390-K415 PolarHBondContact OD1-NZ 2.84Å; V393-K415 HydrophobicContact CB-CG 4.1Å; V393-K415 HydrophobicContact CG1-CG 3.73Å; V393-K415 HydrophobicContact CG2-CG 4.36Å; R411-K415 WeakPolarHBondContact O-CG 3.31Å; R411-K415 PolarHBondContact O-N 3.03Å; E412-K415 WeakPolarHBondContact OE1-CD 3.38Å; E412-K415 WeakPolarHBondContact OE1-CE 3.44Å; E412-K415 IonicContact OE1-NZ 3.87Å; E412-K415 PolarHBondContact OE1-NZ 2.93Å; E412-K415 WeakPolarHBondContact OE2-CD 3.33Å; E412-K415 IonicContact OE2-NZ 2.89Å; K415-M417 VanDerWaalsContact C-N 3.34Å; K415-M417 PolarHBondContact O-N 2.75Å; K415-Y418 CarbonylContact O-C 3.58Å; K415-Y418 PolarHBondContact O-N 3.45Å; K415-T419 WeakPolarHBondContact O-CB 3.48Å; K415-T419 PolarHBondContact O-N 2.91Å; K415-T419 PolarHBondContact O-OG1 2.77Å
416	F	96.4	Very high	90	Very high	110 Å²	110	51.2 Å²	51.2	48%	0.482	27%	0.265	S	S	.	.	H	α-helix	trans	-59.6	-43.5	177.5	174.7	-88.8	0	0	0	112.1	E412 T413 I414 Y418 W421	E412-F416 VanDerWaalsContact O-CB 3.3Å; E412-F416 WeakPolarHBondContact O-CB 3.32Å; E412-F416 PolarHBondContact O-N 3.5Å; T413-F416 PolarHBondContact O-N 3.05Å; I414-F416 VanDerWaalsContact C-N 3.32Å; I414-F416 PolarHBondContact O-N 3.37Å; F416-Y418 VanDerWaalsContact C-N 3.35Å; F416-Y418 PolarHBondContact O-N 2.65Å; F416-W421 HydrophobicContact CB-CZ2 4.42Å; F416-W421 AromaticContact CD2-CE2 3.67Å; F416-W421 HydrophobicContact CD2-CH2 4.46Å; F416-W421 AromaticContact CD2-CZ2 3.45Å; F416-W421 HydrophobicContact CD2-CZ2 3.45Å; F416-W421 VanDerWaalsContact CD2-CZ2 3.45Å; F416-W421 AromaticContact CD2-NE1 3.63Å; F416-W421 AromaticContact CE2-CE2 3.85Å; F416-W421 HydrophobicContact CE2-CZ2 4.01Å; F416-W421 AromaticContact CE2-NE1 3.68Å; F416-W421 HydrophobicContact CG-CZ2 4.22Å; F416-W421 PolarHBondContact O-NE1 3.27Å
417	M	96.9	Very high	91.8	Very high	26 Å²	26	52.1 Å²	52.1	13%	0.128	27%	0.266	C	S	.	.	H	α-helix	trans	-73.3	-22.6	-179.2	-71.7	-64	-77.7	0	0	113.8	T413 I414 K415 K580 F583 L765	T413-M417 HydrophobicContact CG2-CG 4.31Å; T413-M417 WeakPolarHBondContact O-CB 3.5Å; T413-M417 VanDerWaalsContact O-CG 3.3Å; T413-M417 WeakPolarHBondContact O-CG 3.47Å; T413-M417 PolarHBondContact O-N 2.96Å; I414-M417 PolarHBondContact O-N 2.78Å; I414-M417 VanDerWaalsContact O-N 3.17Å; K415-M417 VanDerWaalsContact C-N 3.34Å; K415-M417 PolarHBondContact O-N 2.75Å; M417-K580 PolarHBondContact O-NZ 3.37Å; M417-F583 HydrophobicContact CB-CE1 4.36Å; M417-F583 HydrophobicContact CB-CE2 4.39Å; M417-F583 HydrophobicContact CB-CZ 4.27Å; M417-F583 HydrophobicContact CE-CB 3.93Å; M417-F583 HydrophobicContact CE-CD2 3.91Å; M417-F583 HydrophobicContact CE-CG 3.95Å; M417-F583 HydrophobicContact CG-CD2 3.86Å; M417-F583 HydrophobicContact CG-CE2 3.74Å; M417-F583 HydrophobicContact CG-CG 4.33Å; M417-F583 HydrophobicContact CG-CZ 4.1Å; M417-L765 HydrophobicContact CE-CD1 4.09Å; M417-L765 HydrophobicContact SD-CD1 4.35Å
418	Y	97.1	Very high	93.2	Very high	3 Å²	3	55.9 Å²	55.9	1%	0.012	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	13.8	176.6	-71.2	-82.4	0	0	0	114	F389 I414 K415 F416 T433 A436 L437 D440 K580 F583 W584	F389-Y418 WeakPolarHBondContact CZ-O 3.06Å; I414-Y418 HydrophobicContact CG2-CD2 4.02Å; I414-Y418 HydrophobicContact CG2-CE2 4.48Å; I414-Y418 WeakPolarHBondContact O-CD2 3.2Å; I414-Y418 PolarHBondContact O-N 2.88Å; K415-Y418 CarbonylContact O-C 3.58Å; K415-Y418 PolarHBondContact O-N 3.45Å; F416-Y418 VanDerWaalsContact C-N 3.35Å; F416-Y418 PolarHBondContact O-N 2.65Å; Y418-T433 WeakPolarHBondContact CD1-O 2.97Å; Y418-T433 WeakPolarHBondContact O-CB 2.99Å; Y418-T433 WeakPolarHBondContact O-CG2 3.42Å; Y418-T433 PolarHBondContact O-OG1 3.19Å; Y418-A436 HydrophobicContact CE1-CB 4.48Å; Y418-L437 HydrophobicContact CD1-CB 3.74Å; Y418-L437 HydrophobicContact CD1-CG 4.46Å; Y418-L437 HydrophobicContact CD2-CB 4.18Å; Y418-L437 HydrophobicContact CD2-CD1 3.91Å; Y418-L437 HydrophobicContact CD2-CG 4.01Å; Y418-L437 HydrophobicContact CE1-CB 3.93Å; Y418-L437 HydrophobicContact CE2-CB 4.35Å; Y418-L437 HydrophobicContact CE2-CG 4.16Å; Y418-L437 HydrophobicContact CG-CB 3.89Å; Y418-L437 HydrophobicContact CG-CD1 4.01Å; Y418-L437 HydrophobicContact CG-CG 4.18Å; Y418-D440 WeakPolarHBondContact CE1-OD2 3.3Å; Y418-D440 WeakPolarHBondContact OH-CB 3.49Å; Y418-D440 PolarHBondContact OH-OD2 3.16Å; Y418-K580 HydrophobicContact CE1-CD 4.07Å; Y418-F583 HydrophobicContact CE2-CD1 4.3Å; Y418-F583 HydrophobicContact CE2-CE1 4.11Å; Y418-W584 AromaticContact CE2-CZ2 3.67Å; Y418-W584 HydrophobicContact CE2-CZ2 3.67Å; Y418-W584 AromaticContact CZ-NE1 3.93Å; Y418-W584 PolarHBondContact OH-NE1 3.29Å
419	T	96.6	Very high	94	Very high	25 Å²	25	51.8 Å²	51.8	15%	0.153	26%	0.262	C	S	.	.	S	Bend	trans	-92.8	127.1	166.7	-64	0	0	0	0	109.8	K415 W421 R424	K415-T419 WeakPolarHBondContact O-CB 3.48Å; K415-T419 PolarHBondContact O-N 2.91Å; K415-T419 PolarHBondContact O-OG1 2.77Å; T419-W421 HydrophobicContact CG2-CD2 3.77Å; T419-W421 HydrophobicContact CG2-CE3 4.06Å; T419-W421 HydrophobicContact CG2-CG 4.27Å; T419-W421 HydrophobicContact CG2-CH2 4.12Å; T419-W421 HydrophobicContact CG2-CZ2 3.82Å; T419-W421 HydrophobicContact CG2-CZ3 4.23Å; T419-W421 VanDerWaalsContact O-CD1 3.25Å; T419-W421 PolarHBondContact O-N 3.35Å; T419-W421 VanDerWaalsContact O-N 3.15Å; T419-R424 HydrophobicContact CG2-CB 4.39Å; T419-R424 HydrophobicContact CG2-CG 3.79Å
420	D	94.5	Very high	94.5	Very high	8 Å²	8	50.8 Å²	50.8	4%	0.043	25%	0.251	C	S	.	.			trans	-76.1	98	165.3	-174	-17	0	0	0	108.8	A422 D423 R424 T429 R758 I763	D420-A422 PolarHBondContact O-N 3.04Å; D420-A422 VanDerWaalsContact O-N 3.14Å; D420-A422 WeakPolarHBondContact OD1-CA 3.33Å; D420-A422 WeakPolarHBondContact OD1-CB 3.41Å; D420-A422 PolarHBondContact OD1-N 3.09Å; D420-D423 CarbonylContact O-C 3.52Å; D420-D423 PolarHBondContact O-N 2.62Å; D420-D423 PolarHBondContact OD1-N 2.89Å; D420-R424 WeakPolarHBondContact O-CA 3.37Å; D420-R424 PolarHBondContact O-N 3.13Å; D420-T429 HydrophobicContact CB-CG2 3.48Å; D420-T429 VanDerWaalsContact CB-CG2 3.48Å; D420-R758 IonicContact OD2-NH1 3.77Å; D420-I763 HydrophobicContact CB-CG2 3.89Å
421	W	94.4	Very high	94.9	Very high	98 Å²	98	50.8 Å²	50.8	37%	0.371	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-8.3	-179.7	-65.4	100.4	0	0	0	114.4	F416 T419 M766	F416-W421 HydrophobicContact CB-CZ2 4.42Å; F416-W421 AromaticContact CD2-CE2 3.67Å; F416-W421 HydrophobicContact CD2-CH2 4.46Å; F416-W421 AromaticContact CD2-CZ2 3.45Å; F416-W421 HydrophobicContact CD2-CZ2 3.45Å; F416-W421 VanDerWaalsContact CD2-CZ2 3.45Å; F416-W421 AromaticContact CD2-NE1 3.63Å; F416-W421 AromaticContact CE2-CE2 3.85Å; F416-W421 HydrophobicContact CE2-CZ2 4.01Å; F416-W421 AromaticContact CE2-NE1 3.68Å; F416-W421 HydrophobicContact CG-CZ2 4.22Å; F416-W421 PolarHBondContact O-NE1 3.27Å; T419-W421 HydrophobicContact CG2-CD2 3.77Å; T419-W421 HydrophobicContact CG2-CE3 4.06Å; T419-W421 HydrophobicContact CG2-CG 4.27Å; T419-W421 HydrophobicContact CG2-CH2 4.12Å; T419-W421 HydrophobicContact CG2-CZ2 3.82Å; T419-W421 HydrophobicContact CG2-CZ3 4.23Å; T419-W421 VanDerWaalsContact O-CD1 3.25Å; T419-W421 PolarHBondContact O-N 3.35Å; T419-W421 VanDerWaalsContact O-N 3.15Å; W421-M766 HydrophobicContact CB-CE 4.26Å
422	A	94.4	Very high	95.1	Very high	62 Å²	62	52.2 Å²	52.2	51%	0.512	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-13.4	171.6	0	0	0	0	0	113.4	D420	D420-A422 PolarHBondContact O-N 3.04Å; D420-A422 VanDerWaalsContact O-N 3.14Å; D420-A422 WeakPolarHBondContact OD1-CA 3.33Å; D420-A422 WeakPolarHBondContact OD1-CB 3.41Å; D420-A422 PolarHBondContact OD1-N 3.09Å
423	D	93.4	Very high	95.3	Very high	65 Å²	65	47.6 Å²	47.6	35%	0.348	24%	0.236	S	C	.	.	S	Bend	trans	-148.4	36.6	-176.2	-165.2	31.8	0	0	0	112.5	D420 D425 N426 T429	D420-D423 CarbonylContact O-C 3.52Å; D420-D423 PolarHBondContact O-N 2.62Å; D420-D423 PolarHBondContact OD1-N 2.89Å; D423-D425 VanDerWaalsContact C-N 3.25Å; D423-D425 PolarHBondContact O-N 3.15Å; D423-N426 WeakPolarHBondContact O-CB 3.23Å; D423-N426 PolarHBondContact O-N 3.43Å; D423-N426 VanDerWaalsContact O-N 3.12Å; D423-N426 VanDerWaalsContact OD2-CB 3.23Å; D423-N426 WeakPolarHBondContact OD2-CB 3.42Å; D423-N426 PolarHBondContact OD2-ND2 3.06Å; D423-T429 PolarHBondContact OD2-OG1 3.13Å; D423-T429 VanDerWaalsContact OD2-OG1 3.04Å
424	R	91.6	Very high	95.5	Very high	136 Å²	136	46 Å²	46	51%	0.513	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-39.4	-165.8	-175.3	-163.3	68.3	-157.8	-9.2	114.9	T419 D420	T419-R424 HydrophobicContact CG2-CB 4.39Å; T419-R424 HydrophobicContact CG2-CG 3.79Å; D420-R424 WeakPolarHBondContact O-CA 3.37Å; D420-R424 PolarHBondContact O-N 3.13Å
425	D	92.4	Very high	95.6	Very high	103 Å²	103	46.7 Å²	46.7	55%	0.551	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-9.7	-169.3	-62.3	-30	0	0	0	112.9	D423 P427 R430	D423-D425 VanDerWaalsContact C-N 3.25Å; D423-D425 PolarHBondContact O-N 3.15Å; D425-P427 WeakPolarHBondContact O-CD 3.5Å; D425-R430 VanDerWaalsContact C-NH1 3.33Å; D425-R430 PolarHBondContact O-NH1 3.13Å
426	N	95.9	Very high	95.7	Very high	47 Å²	47	45.9 Å²	45.9	25%	0.251	23%	0.228	S	C	.	.			trans	-70.7	118.4	-177.9	-175.8	-16.8	0	0	0	112.9	D423 E428 T429 R430	D423-N426 WeakPolarHBondContact O-CB 3.23Å; D423-N426 PolarHBondContact O-N 3.43Å; D423-N426 VanDerWaalsContact O-N 3.12Å; D423-N426 VanDerWaalsContact OD2-CB 3.23Å; D423-N426 WeakPolarHBondContact OD2-CB 3.42Å; D423-N426 PolarHBondContact OD2-ND2 3.06Å; N426-E428 PolarHBondContact O-N 3.48Å; N426-E428 WeakPolarHBondContact OD1-CB 3.28Å; N426-E428 PolarHBondContact OD1-N 3.35Å; N426-T429 PolarHBondContact ND2-OG1 2.95Å; N426-T429 PolarHBondContact O-N 3.32Å; N426-R430 PolarHBondContact O-N 3.4Å; N426-R430 VanDerWaalsContact O-N 3.14Å
427	P	96.4	Very high	95.8	Very high	54 Å²	54	40.7 Å²	40.7	35%	0.351	21%	0.206	S	C	.	.	H	α-helix	trans	-62.3	-38.6	178.7	-22	33.7	0	0	0	114.6	G383 V384 D425 T429 R430 R431	G383-P427 VanDerWaalsContact CA-CB 3.45Å; V384-P427 PolarHBondContact N-O 2.98Å; D425-P427 WeakPolarHBondContact O-CD 3.5Å; P427-T429 VanDerWaalsContact C-N 3.28Å; P427-T429 PolarHBondContact O-N 2.04Å; P427-R430 PolarHBondContact O-N 3.26Å; P427-R431 PolarHBondContact O-N 2.63Å
428	E	95.7	Very high	95.8	Very high	87 Å²	87	39.4 Å²	39.4	41%	0.407	20%	0.199	S	C	.	.	H	α-helix	trans	-62.5	-39.1	176.1	-81.9	-164.2	-120.8	0	0	111.3	N426 R431 K432	N426-E428 PolarHBondContact O-N 3.48Å; N426-E428 WeakPolarHBondContact OD1-CB 3.28Å; N426-E428 PolarHBondContact OD1-N 3.35Å; E428-R431 WeakPolarHBondContact O-CB 3.48Å; E428-R431 PolarHBondContact O-N 2.69Å; E428-K432 WeakPolarHBondContact O-CD 3.49Å; E428-K432 VanDerWaalsContact O-CG 3.31Å; E428-K432 WeakPolarHBondContact O-CG 3.42Å; E428-K432 PolarHBondContact O-N 2.79Å; E428-K432 WeakPolarHBondContact OE2-CE 3.2Å; E428-K432 IonicContact OE2-NZ 2.69Å; E428-K432 PolarHBondContact OE2-NZ 3.18Å
429	T	95.2	Very high	95.9	Very high	15 Å²	15	39.3 Å²	39.3	9%	0.092	20%	0.199	C	C	.	.	H	α-helix	trans	-70.4	-40.2	-177.3	-57.7	0	0	0	0	110.1	D420 D423 N426 P427 R431 K432 T433	D420-T429 HydrophobicContact CB-CG2 3.48Å; D420-T429 VanDerWaalsContact CB-CG2 3.48Å; D423-T429 PolarHBondContact OD2-OG1 3.13Å; D423-T429 VanDerWaalsContact OD2-OG1 3.04Å; N426-T429 PolarHBondContact ND2-OG1 2.95Å; N426-T429 PolarHBondContact O-N 3.32Å; P427-T429 VanDerWaalsContact C-N 3.28Å; P427-T429 PolarHBondContact O-N 2.04Å; T429-R431 PolarHBondContact O-N 2.98Å; T429-K432 PolarHBondContact O-N 2.67Å; T429-T433 PolarHBondContact O-N 3.22Å; T429-T433 PolarHBondContact O-OG1 3.22Å
430	R	96.4	Very high	96	Very high	44 Å²	44	38.2 Å²	38.2	17%	0.166	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-41.3	169.6	-70.4	-167.2	-60.6	-95.2	-3.8	112.9	V384 S385 F389 D425 N426 P427 T433 L434	V384-R430 VanDerWaalsContact O-CZ 3.28Å; V384-R430 PolarHBondContact O-NE 2.77Å; V384-R430 PolarHBondContact O-NH2 3.3Å; S385-R430 PolarHBondContact O-NE 2.77Å; F389-R430 HydrophobicContact CD2-CB 4.01Å; F389-R430 HydrophobicContact CD2-CG 4.23Å; D425-R430 VanDerWaalsContact C-NH1 3.33Å; D425-R430 PolarHBondContact O-NH1 3.13Å; N426-R430 PolarHBondContact O-N 3.4Å; N426-R430 VanDerWaalsContact O-N 3.14Å; P427-R430 PolarHBondContact O-N 3.26Å; R430-T433 PolarHBondContact O-N 2.94Å; R430-T433 PolarHBondContact O-OG1 2.94Å; R430-L434 WeakPolarHBondContact O-CG 3.5Å; R430-L434 PolarHBondContact O-N 3.29Å
431	R	96.8	Very high	96.1	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.015	20%	0.196	C	C	.	.	H	α-helix	trans	-58.1	-49.7	173.9	-169.5	-165.8	75.2	-127.1	-0.5	111.3	V374 V378 D382 V384 P427 E428 T429 T433 L434 V435 W478	V374-R431 HydrophobicContact CG2-CG 4.3Å; V378-R431 HydrophobicContact CG2-CG 3.96Å; D382-R431 WeakPolarHBondContact O-CD 3.45Å; D382-R431 PolarHBondContact O-NH1 3.46Å; V384-R431 HydrophobicContact CB-CB 4.37Å; V384-R431 HydrophobicContact CG2-CB 3.68Å; V384-R431 HydrophobicContact CG2-CG 3.77Å; P427-R431 PolarHBondContact O-N 2.63Å; E428-R431 WeakPolarHBondContact O-CB 3.48Å; E428-R431 PolarHBondContact O-N 2.69Å; T429-R431 PolarHBondContact O-N 2.98Å; R431-T433 VanDerWaalsContact C-N 3.34Å; R431-T433 PolarHBondContact O-N 3.48Å; R431-L434 PolarHBondContact O-N 3.31Å; R431-V435 PolarHBondContact O-N 3.15Å; R431-V435 VanDerWaalsContact O-N 3.09Å; R431-W478 HydrophobicContact CG-CH2 4.4Å; R431-W478 VanDerWaalsContact CZ-CE3 3.42Å; R431-W478 VanDerWaalsContact NE-CD2 3.3Å; R431-W478 VanDerWaalsContact NE-CZ3 3.34Å
432	K	96.3	Very high	96.3	Very high	49 Å²	49	34.5 Å²	34.5	21%	0.213	18%	0.179	C	C	.	.	H	α-helix	trans	-60.9	-40.6	179.4	-70.8	161.5	-165.9	155.5	0	111.8	E428 T429 A436 P760	E428-K432 WeakPolarHBondContact O-CD 3.49Å; E428-K432 VanDerWaalsContact O-CG 3.31Å; E428-K432 WeakPolarHBondContact O-CG 3.42Å; E428-K432 PolarHBondContact O-N 2.79Å; E428-K432 WeakPolarHBondContact OE2-CE 3.2Å; E428-K432 IonicContact OE2-NZ 2.69Å; E428-K432 PolarHBondContact OE2-NZ 3.18Å; T429-K432 PolarHBondContact O-N 2.67Å; K432-A436 VanDerWaalsContact O-CB 3.29Å; K432-A436 WeakPolarHBondContact O-CB 3.21Å; K432-A436 PolarHBondContact O-N 3.1Å; K432-P760 HydrophobicContact CB-CG 4.47Å
433	T	97.1	Very high	96.4	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-75.7	-24.1	179.6	58.8	0	0	0	0	114	Y418 T429 R430 R431 L437 I763	Y418-T433 WeakPolarHBondContact CD1-O 2.97Å; Y418-T433 WeakPolarHBondContact O-CB 2.99Å; Y418-T433 WeakPolarHBondContact O-CG2 3.42Å; Y418-T433 PolarHBondContact O-OG1 3.19Å; T429-T433 PolarHBondContact O-N 3.22Å; T429-T433 PolarHBondContact O-OG1 3.22Å; R430-T433 PolarHBondContact O-N 2.94Å; R430-T433 PolarHBondContact O-OG1 2.94Å; R431-T433 VanDerWaalsContact C-N 3.34Å; R431-T433 PolarHBondContact O-N 3.48Å; T433-L437 VanDerWaalsContact O-CB 3.31Å; T433-L437 WeakPolarHBondContact O-CB 3.37Å; T433-L437 PolarHBondContact O-N 3.2Å; T433-I763 HydrophobicContact CG2-CD1 3.61Å
434	L	97.1	Very high	96.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-72.5	-43.4	169.1	-71.2	168.4	0	0	0	112.7	F373 V374 V384 F389 V393 R430 R431 A436 L437 F438	F373-L434 HydrophobicContact CE1-CB 4.21Å; F373-L434 HydrophobicContact CE1-CD2 4.26Å; V374-L434 HydrophobicContact CG1-CB 3.51Å; V374-L434 HydrophobicContact CG1-CD1 4.43Å; V384-L434 HydrophobicContact CB-CD1 4.31Å; V384-L434 HydrophobicContact CG1-CD1 3.7Å; V384-L434 HydrophobicContact CG2-CD1 4.36Å; F389-L434 HydrophobicContact CB-CD1 4.34Å; F389-L434 HydrophobicContact CD2-CD1 3.86Å; F389-L434 HydrophobicContact CD2-CD2 3.61Å; F389-L434 HydrophobicContact CD2-CG 3.51Å; F389-L434 HydrophobicContact CE2-CD2 3.83Å; F389-L434 HydrophobicContact CE2-CG 3.88Å; F389-L434 HydrophobicContact CG-CD1 4.5Å; F389-L434 HydrophobicContact CG-CD2 4.24Å; F389-L434 HydrophobicContact CG-CG 4.44Å; V393-L434 HydrophobicContact CG2-CD2 3.98Å; R430-L434 WeakPolarHBondContact O-CG 3.5Å; R430-L434 PolarHBondContact O-N 3.29Å; R431-L434 PolarHBondContact O-N 3.31Å; L434-A436 VanDerWaalsContact C-N 3.27Å; L434-A436 PolarHBondContact O-N 3.13Å; L434-L437 PolarHBondContact O-N 3.13Å; L434-F438 PolarHBondContact O-N 2.93Å
435	V	97.6	Very high	97	Very high	14 Å²	14	23.8 Å²	23.8	9%	0.085	12%	0.122	C	C	.	.	H	α-helix	trans	-58.2	-45.4	171.4	173.9	0	0	0	0	109.5	V374 R431 F438 T439	V374-V435 HydrophobicContact CB-CG2 4.27Å; V374-V435 HydrophobicContact CG1-CG2 3.72Å; V374-V435 HydrophobicContact CG2-CG2 3.5Å; R431-V435 PolarHBondContact O-N 3.15Å; R431-V435 VanDerWaalsContact O-N 3.09Å; V435-F438 PolarHBondContact O-N 3.41Å; V435-T439 WeakPolarHBondContact O-CB 3.37Å; V435-T439 PolarHBondContact O-N 3.36Å; V435-T439 PolarHBondContact O-OG1 3.26Å
436	A	98	Very high	97.3	Very high	9 Å²	9	19.1 Å²	19.1	7%	0.074	10%	0.097	C	C	.	.	H	α-helix	trans	-60.1	-46.5	175.9	0	0	0	0	0	112.6	Y418 K432 L434 F438 T439 D440 P760	Y418-A436 HydrophobicContact CE1-CB 4.48Å; K432-A436 VanDerWaalsContact O-CB 3.29Å; K432-A436 WeakPolarHBondContact O-CB 3.21Å; K432-A436 PolarHBondContact O-N 3.1Å; L434-A436 VanDerWaalsContact C-N 3.27Å; L434-A436 PolarHBondContact O-N 3.13Å; A436-F438 VanDerWaalsContact C-N 3.35Å; A436-F438 PolarHBondContact O-N 2.92Å; A436-T439 PolarHBondContact O-N 2.96Å; A436-D440 WeakPolarHBondContact O-CB 3.35Å; A436-D440 PolarHBondContact O-N 3.14Å; A436-P760 HydrophobicContact CB-CB 4.43Å
437	L	98.1	Very high	97.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-54.5	-49.1	179	-179.8	163.2	0	0	0	112	V393 F396 I414 Y418 T433 L434 H441 W584	V393-L437 HydrophobicContact CG1-CD1 4.46Å; V393-L437 HydrophobicContact CG2-CD1 3.77Å; F396-L437 HydrophobicContact CD1-CD2 3.64Å; F396-L437 HydrophobicContact CD2-CD2 4Å; F396-L437 HydrophobicContact CE1-CD2 3.68Å; F396-L437 HydrophobicContact CE2-CD2 4.02Å; F396-L437 HydrophobicContact CG-CD2 3.8Å; F396-L437 HydrophobicContact CZ-CD2 3.86Å; I414-L437 HydrophobicContact CG2-CD1 3.68Å; I414-L437 HydrophobicContact CG2-CG 4.39Å; Y418-L437 HydrophobicContact CD1-CB 3.74Å; Y418-L437 HydrophobicContact CD1-CG 4.46Å; Y418-L437 HydrophobicContact CD2-CB 4.18Å; Y418-L437 HydrophobicContact CD2-CD1 3.91Å; Y418-L437 HydrophobicContact CD2-CG 4.01Å; Y418-L437 HydrophobicContact CE1-CB 3.93Å; Y418-L437 HydrophobicContact CE2-CB 4.35Å; Y418-L437 HydrophobicContact CE2-CG 4.16Å; Y418-L437 HydrophobicContact CG-CB 3.89Å; Y418-L437 HydrophobicContact CG-CD1 4.01Å; Y418-L437 HydrophobicContact CG-CG 4.18Å; T433-L437 VanDerWaalsContact O-CB 3.31Å; T433-L437 WeakPolarHBondContact O-CB 3.37Å; T433-L437 PolarHBondContact O-N 3.2Å; L434-L437 PolarHBondContact O-N 3.13Å; L437-H441 PolarHBondContact O-N 3.48Å; L437-W584 HydrophobicContact CG-CZ2 4.25Å
438	F	97.7	Very high	97.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-72.2	-38.6	-179.4	-161.5	-108.2	0	0	0	112	V117 W281 Y330 F373 F396 L434 V435 A436 Q442 W443	V117-F438 HydrophobicContact CB-CE1 4.17Å; V117-F438 HydrophobicContact CB-CZ 4.27Å; V117-F438 HydrophobicContact CG2-CZ 4.45Å; W281-F438 HydrophobicContact CH2-CE1 4.1Å; W281-F438 HydrophobicContact CH2-CZ 4.24Å; W281-F438 HydrophobicContact CZ3-CE1 4.18Å; W281-F438 AromaticContact CZ3-CZ 3.89Å; W281-F438 HydrophobicContact CZ3-CZ 3.89Å; Y330-F438 AromaticContact CD1-CE2 3.55Å; Y330-F438 HydrophobicContact CD1-CE2 3.55Å; Y330-F438 AromaticContact CD1-CZ 3.54Å; Y330-F438 HydrophobicContact CD1-CZ 3.54Å; Y330-F438 HydrophobicContact CE1-CD2 4.49Å; Y330-F438 AromaticContact CE1-CE2 3.35Å; Y330-F438 HydrophobicContact CE1-CE2 3.35Å; Y330-F438 AromaticContact CE1-CZ 3.56Å; Y330-F438 HydrophobicContact CE1-CZ 3.56Å; Y330-F438 HydrophobicContact CG-CE2 4.23Å; Y330-F438 HydrophobicContact CG-CZ 4.48Å; Y330-F438 AromaticContact CZ-CE2 3.87Å; F373-F438 HydrophobicContact CB-CB 3.85Å; F373-F438 HydrophobicContact CB-CD1 3.55Å; F373-F438 HydrophobicContact CB-CD2 4.2Å; F373-F438 HydrophobicContact CB-CE1 4.12Å; F373-F438 HydrophobicContact CB-CG 3.59Å; F373-F438 HydrophobicContact CD1-CB 3.59Å; F373-F438 HydrophobicContact CD1-CD2 4.35Å; F373-F438 HydrophobicContact CD1-CG 4.04Å; F373-F438 HydrophobicContact CD2-CB 4.28Å; F373-F438 HydrophobicContact CD2-CD1 4.4Å; F373-F438 AromaticContact CD2-CD2 3.52Å; F373-F438 HydrophobicContact CD2-CD2 3.52Å; F373-F438 AromaticContact CD2-CE2 3.9Å; F373-F438 HydrophobicContact CD2-CE2 3.9Å; F373-F438 AromaticContact CD2-CG 3.82Å; F373-F438 HydrophobicContact CD2-CG 3.82Å; F373-F438 HydrophobicContact CD2-CZ 4.46Å; F373-F438 HydrophobicContact CE1-CB 4.17Å; F373-F438 AromaticContact CE2-CD2 3.91Å; F373-F438 HydrophobicContact CE2-CD2 3.91Å; F373-F438 HydrophobicContact CE2-CE2 4.37Å; F373-F438 HydrophobicContact CG-CB 3.65Å; F373-F438 HydrophobicContact CG-CD1 4.05Å; F373-F438 AromaticContact CG-CD2 3.78Å; F373-F438 HydrophobicContact CG-CD2 3.78Å; F373-F438 HydrophobicContact CG-CE2 4.46Å; F373-F438 AromaticContact CG-CG 3.56Å; F373-F438 HydrophobicContact CG-CG 3.56Å; F373-F438 HydrophobicContact CZ-CD2 4.47Å; F396-F438 AromaticContact CD2-CD2 3.65Å; F396-F438 HydrophobicContact CD2-CD2 3.65Å; F396-F438 AromaticContact CD2-CE2 3.98Å; F396-F438 HydrophobicContact CD2-CE2 3.98Å; F396-F438 AromaticContact CE2-CD2 3.54Å; F396-F438 HydrophobicContact CE2-CD2 3.54Å; F396-F438 AromaticContact CE2-CE2 3.9Å; F396-F438 HydrophobicContact CE2-CE2 3.9Å; L434-F438 PolarHBondContact O-N 2.93Å; V435-F438 PolarHBondContact O-N 3.41Å; A436-F438 VanDerWaalsContact C-N 3.35Å; A436-F438 PolarHBondContact O-N 2.92Å; F438-Q442 HydrophobicContact CD1-CG 4.25Å; F438-Q442 HydrophobicContact CD2-CG 4.04Å; F438-Q442 HydrophobicContact CE1-CG 3.98Å; F438-Q442 HydrophobicContact CE2-CG 3.74Å; F438-Q442 HydrophobicContact CG-CG 4.28Å; F438-Q442 HydrophobicContact CZ-CG 3.72Å; F438-Q442 WeakPolarHBondContact O-CB 3.42Å; F438-Q442 WeakPolarHBondContact O-CG 3.41Å; F438-Q442 PolarHBondContact O-N 3.45Å; F438-W443 HydrophobicContact CD1-CH2 4.21Å; F438-W443 AromaticContact CD1-CZ3 3.66Å; F438-W443 HydrophobicContact CD1-CZ3 3.66Å; F438-W443 HydrophobicContact CE1-CH2 4.01Å; F438-W443 AromaticContact CE1-CZ3 3.85Å; F438-W443 HydrophobicContact CE1-CZ3 3.85Å
439	T	98.4	Very high	97.6	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.006	5%	0.052	C	C	.	.	H	α-helix	trans	-59.6	-47	173.5	-58.7	0	0	0	0	111.2	E369 G370 V435 A436 W443 V444	E369-T439 HydrophobicContact CB-CG2 3.95Å; E369-T439 HydrophobicContact CG-CG2 3.83Å; E369-T439 PolarHBondContact N-OG1 2.95Å; G370-T439 PolarHBondContact N-OG1 3.36Å; V435-T439 WeakPolarHBondContact O-CB 3.37Å; V435-T439 PolarHBondContact O-N 3.36Å; V435-T439 PolarHBondContact O-OG1 3.26Å; A436-T439 PolarHBondContact O-N 2.96Å; T439-W443 PolarHBondContact O-N 3.17Å; T439-W443 VanDerWaalsContact O-N 3.15Å; T439-V444 HydrophobicContact CG2-CG2 3.87Å; T439-V444 PolarHBondContact O-N 3.35Å
440	D	98.4	Very high	97.7	Very high	1 Å²	1	10 Å²	10	1%	0.005	5%	0.048	C	C	.	.	I	π-helix	trans	-65.2	-43.8	-174.8	-74.3	-28	0	0	0	112.1	Y418 A436 E445 R577 K580	Y418-D440 WeakPolarHBondContact CE1-OD2 3.3Å; Y418-D440 WeakPolarHBondContact OH-CB 3.49Å; Y418-D440 PolarHBondContact OH-OD2 3.16Å; A436-D440 WeakPolarHBondContact O-CB 3.35Å; A436-D440 PolarHBondContact O-N 3.14Å; D440-E445 WeakPolarHBondContact O-CB 3.34Å; D440-E445 PolarHBondContact O-N 3.45Å; D440-R577 VanDerWaalsContact CG-NH2 3.35Å; D440-R577 IonicContact OD1-CZ 3.25Å; D440-R577 IonicContact OD1-NE 2.81Å; D440-R577 PolarHBondContact OD1-NE 3.32Å; D440-R577 IonicContact OD1-NH2 3.68Å; D440-R577 PolarHBondContact OD1-NH2 3.33Å; D440-R577 VanDerWaalsContact OD1-NH2 3.15Å; D440-R577 IonicContact OD2-CZ 2.7Å; D440-R577 IonicContact OD2-NE 3.73Å; D440-R577 IonicContact OD2-NH2 2.65Å; D440-R577 PolarHBondContact OD2-NH2 3.36Å; D440-K580 HydrophobicContact CB-CB 4.43Å; D440-K580 WeakPolarHBondContact OD2-CG 3.2Å
441	H	97.8	Very high	97.8	Very high	29 Å²	29	7.9 Å²	7.9	13%	0.134	4%	0.04	C	C	.	.	I	π-helix	trans	-79	-45	-178.8	-175.3	-82.4	0	0	0	113.3	F396 Y401 L437 P446 W584	F396-H441 HydrophobicContact CE2-CB 4.5Å; F396-H441 HydrophobicContact CZ-CB 3.74Å; F396-H441 AromaticContact CZ-CG 3.61Å; F396-H441 AromaticContact CZ-ND1 3.84Å; Y401-H441 AromaticContact CZ-NE2 3.8Å; Y401-H441 PolarHBondContact OH-NE2 2.83Å; L437-H441 PolarHBondContact O-N 3.48Å; H441-P446 WeakPolarHBondContact O-CD 3.3Å; H441-P446 WeakPolarHBondContact O-CG 3.3Å; H441-W584 HydrophobicContact CB-CD2 4.35Å; H441-W584 HydrophobicContact CB-CZ2 4.09Å; H441-W584 AromaticContact CD2-CD2 3.84Å; H441-W584 AromaticContact CD2-CE3 3.62Å; H441-W584 AromaticContact CD2-CZ3 3.82Å
442	Q	97	Very high	97.8	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.043	C	C	.	.	I	π-helix	trans	-81.6	-25.5	-171.9	-63.1	-57.9	112.8	0	0	113.6	S279 S280 W281 F438	S279-Q442 PolarHBondContact OG-O 2.93Å; S280-Q442 PolarHBondContact OG-NE2 3.24Å; W281-Q442 HydrophobicContact CH2-CB 3.53Å; W281-Q442 HydrophobicContact CH2-CG 3.67Å; W281-Q442 HydrophobicContact CZ2-CB 3.68Å; W281-Q442 HydrophobicContact CZ2-CG 4.26Å; W281-Q442 HydrophobicContact CZ3-CB 4.24Å; W281-Q442 HydrophobicContact CZ3-CG 3.9Å; F438-Q442 HydrophobicContact CD1-CG 4.25Å; F438-Q442 HydrophobicContact CD2-CG 4.04Å; F438-Q442 HydrophobicContact CE1-CG 3.98Å; F438-Q442 HydrophobicContact CE2-CG 3.74Å; F438-Q442 HydrophobicContact CG-CG 4.28Å; F438-Q442 HydrophobicContact CZ-CG 3.72Å; F438-Q442 WeakPolarHBondContact O-CB 3.42Å; F438-Q442 WeakPolarHBondContact O-CG 3.41Å; F438-Q442 PolarHBondContact O-N 3.45Å
443	W	98.3	Very high	97.8	Very high	3 Å²	3	6.3 Å²	6.3	1%	0.011	3%	0.034	C	C	.	.	I	π-helix	trans	-128.4	-53.5	-174.1	-68.1	-86.1	0	0	0	114.3	S274 W281 V365 E369 F438 T439 S447 H483	S274-W443 VanDerWaalsContact C-CD1 3.48Å; S274-W443 PolarHBondContact O-NE1 3.38Å; S274-W443 VanDerWaalsContact O-NE1 3.15Å; W281-W443 HydrophobicContact CH2-CE3 4.45Å; W281-W443 AromaticContact CH2-CH2 3.6Å; W281-W443 HydrophobicContact CH2-CH2 3.6Å; W281-W443 AromaticContact CH2-CZ2 3.65Å; W281-W443 HydrophobicContact CH2-CZ2 3.65Å; W281-W443 HydrophobicContact CH2-CZ3 4Å; W281-W443 HydrophobicContact CZ2-CD2 4.18Å; W281-W443 AromaticContact CZ2-CE2 3.68Å; W281-W443 HydrophobicContact CZ2-CH2 4.04Å; W281-W443 AromaticContact CZ2-CZ2 3.62Å; W281-W443 HydrophobicContact CZ2-CZ2 3.62Å; W281-W443 HydrophobicContact CZ2-CZ3 4.44Å; V365-W443 HydrophobicContact CG1-CB 4.03Å; E369-W443 HydrophobicContact CB-CD2 3.44Å; E369-W443 VanDerWaalsContact CB-CD2 3.44Å; E369-W443 HydrophobicContact CB-CE3 3.31Å; E369-W443 HydrophobicContact CB-CG 4.06Å; E369-W443 HydrophobicContact CB-CH2 3.85Å; E369-W443 HydrophobicContact CB-CZ2 3.99Å; E369-W443 HydrophobicContact CB-CZ3 3.53Å; E369-W443 HydrophobicContact CG-CB 3.98Å; E369-W443 HydrophobicContact CG-CD2 3.72Å; E369-W443 HydrophobicContact CG-CE3 3.99Å; E369-W443 HydrophobicContact CG-CG 3.76Å; F438-W443 HydrophobicContact CD1-CH2 4.21Å; F438-W443 AromaticContact CD1-CZ3 3.66Å; F438-W443 HydrophobicContact CD1-CZ3 3.66Å; F438-W443 HydrophobicContact CE1-CH2 4.01Å; F438-W443 AromaticContact CE1-CZ3 3.85Å; F438-W443 HydrophobicContact CE1-CZ3 3.85Å; T439-W443 PolarHBondContact O-N 3.17Å; T439-W443 VanDerWaalsContact O-N 3.15Å; W443-S447 VanDerWaalsContact O-CB 3.24Å; W443-S447 WeakPolarHBondContact O-CB 3.48Å; W443-S447 PolarHBondContact O-N 3Å; W443-S447 PolarHBondContact O-OG 3.43Å; W443-H483 AromaticContact CE2-ND1 3.81Å; W443-H483 HydrophobicContact CZ2-CB 4.27Å; W443-H483 AromaticContact CZ2-CG 3.83Å; W443-H483 AromaticContact CZ2-ND1 3.86Å; W443-H483 AromaticContact NE1-CE1 3.43Å; W443-H483 PolarHBondContact NE1-CE1 3.08Å; W443-H483 AromaticContact NE1-ND1 3.48Å; W443-H483 PolarHBondContact NE1-ND1 3.06Å
444	V	98.6	Very high	97.8	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.033	C	C	.	.	I	π-helix	trans	-66.2	-53.1	-169.2	-175.1	0	0	0	0	111.4	V365 T439 S447 V448 Y576 V581	V365-V444 HydrophobicContact CG2-CG2 4.17Å; T439-V444 HydrophobicContact CG2-CG2 3.87Å; T439-V444 PolarHBondContact O-N 3.35Å; V444-S447 PolarHBondContact O-N 3.14Å; V444-V448 HydrophobicContact CG1-CG2 4.31Å; V444-V448 WeakPolarHBondContact O-CB 3.21Å; V444-V448 VanDerWaalsContact O-CG2 3.31Å; V444-V448 WeakPolarHBondContact O-CG2 3.37Å; V444-V448 PolarHBondContact O-N 2.92Å; V444-Y576 HydrophobicContact CB-CE1 4.49Å; V444-Y576 HydrophobicContact CG1-CD1 3.73Å; V444-Y576 HydrophobicContact CG1-CE1 3.59Å; V444-Y576 HydrophobicContact CG2-CE1 4.09Å; V444-V581 HydrophobicContact CG1-CG2 3.96Å
445	E	98.1	Very high	97.7	Very high	35 Å²	35	6.6 Å²	6.6	16%	0.164	4%	0.037	C	C	.	.	H	α-helix	trans	-65.3	-47.7	-178.3	-170.8	-88.7	-176	0	0	112.2	D440 S447 V448 V449 V581 W584 K585	D440-E445 WeakPolarHBondContact O-CB 3.34Å; D440-E445 PolarHBondContact O-N 3.45Å; E445-S447 VanDerWaalsContact C-N 3.28Å; E445-S447 PolarHBondContact O-N 3.1Å; E445-V448 PolarHBondContact O-N 3.37Å; E445-V448 VanDerWaalsContact O-N 3.08Å; E445-V449 HydrophobicContact CG-CG2 4.27Å; E445-V449 WeakPolarHBondContact O-CG2 3.24Å; E445-V449 PolarHBondContact O-N 3.44Å; E445-V449 VanDerWaalsContact OE1-CG2 3.3Å; E445-V449 WeakPolarHBondContact OE1-CG2 3.34Å; E445-V581 HydrophobicContact CG-CG1 4.02Å; E445-W584 HydrophobicContact CB-CB 4.24Å; E445-W584 HydrophobicContact CG-CB 3.9Å; E445-K585 HydrophobicContact CG-CB 4.15Å; E445-K585 VanDerWaalsContact OE1-CA 3.25Å; E445-K585 WeakPolarHBondContact OE1-CA 3.36Å; E445-K585 VanDerWaalsContact OE1-CB 3.24Å; E445-K585 WeakPolarHBondContact OE1-CB 3.41Å
446	P	98.2	Very high	97.5	Very high	4 Å²	4	12.2 Å²	12.2	3%	0.026	6%	0.056	C	C	.	.	H	α-helix	trans	-53.7	-42.4	173	-32.9	38.8	0	0	0	113.4	L278 H441 T450	L278-P446 HydrophobicContact CB-CB 4.15Å; H441-P446 WeakPolarHBondContact O-CD 3.3Å; H441-P446 WeakPolarHBondContact O-CG 3.3Å; P446-T450 WeakPolarHBondContact O-CB 3.43Å; P446-T450 PolarHBondContact O-N 3.21Å; P446-T450 PolarHBondContact O-OG1 3.17Å
447	S	98.3	Very high	96.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-69.6	-38.5	178.4	-57.1	0	0	0	0	112.4	L363 V365 W443 V444 E445 T450 A451	L363-S447 WeakPolarHBondContact CD1-O 3.4Å; V365-S447 WeakPolarHBondContact CG1-OG 3.31Å; W443-S447 VanDerWaalsContact O-CB 3.24Å; W443-S447 WeakPolarHBondContact O-CB 3.48Å; W443-S447 PolarHBondContact O-N 3Å; W443-S447 PolarHBondContact O-OG 3.43Å; V444-S447 PolarHBondContact O-N 3.14Å; E445-S447 VanDerWaalsContact C-N 3.28Å; E445-S447 PolarHBondContact O-N 3.1Å; S447-T450 PolarHBondContact O-N 3.26Å; S447-A451 WeakPolarHBondContact O-CB 3.48Å; S447-A451 PolarHBondContact O-N 3.08Å
448	V	98.3	Very high	96.4	Very high	5 Å²	5	20.3 Å²	20.3	3%	0.03	11%	0.106	C	C	.	.	H	α-helix	trans	-74.3	-33.5	177.9	174.9	0	0	0	0	111.6	V444 E445 A451 D452 F463 V581	V444-V448 HydrophobicContact CG1-CG2 4.31Å; V444-V448 WeakPolarHBondContact O-CB 3.21Å; V444-V448 VanDerWaalsContact O-CG2 3.31Å; V444-V448 WeakPolarHBondContact O-CG2 3.37Å; V444-V448 PolarHBondContact O-N 2.92Å; E445-V448 PolarHBondContact O-N 3.37Å; E445-V448 VanDerWaalsContact O-N 3.08Å; V448-A451 PolarHBondContact O-N 2.8Å; V448-D452 WeakPolarHBondContact O-CB 3.35Å; V448-D452 PolarHBondContact O-N 3.47Å; V448-F463 HydrophobicContact CG2-CE1 4.41Å; V448-F463 HydrophobicContact CG2-CE2 3.96Å; V448-F463 HydrophobicContact CG2-CZ 3.69Å; V448-V581 HydrophobicContact CB-CG1 4.06Å; V448-V581 HydrophobicContact CB-CG2 4.39Å; V448-V581 HydrophobicContact CG1-CG1 3.77Å; V448-V581 HydrophobicContact CG2-CG2 4.29Å
449	V	97.4	Very high	96.3	Very high	7 Å²	7	21.2 Å²	21.2	4%	0.042	11%	0.112	C	C	.	.	H	α-helix	trans	-63.5	-47.4	169.6	175.6	0	0	0	0	110.5	L278 E445 A451 D452 L453 K585	L278-V449 HydrophobicContact CD1-CB 3.93Å; L278-V449 HydrophobicContact CD1-CG1 3.55Å; E445-V449 HydrophobicContact CG-CG2 4.27Å; E445-V449 WeakPolarHBondContact O-CG2 3.24Å; E445-V449 PolarHBondContact O-N 3.44Å; E445-V449 VanDerWaalsContact OE1-CG2 3.3Å; E445-V449 WeakPolarHBondContact OE1-CG2 3.34Å; V449-A451 VanDerWaalsContact C-N 3.3Å; V449-A451 PolarHBondContact O-N 3.31Å; V449-D452 PolarHBondContact O-N 2.82Å; V449-L453 HydrophobicContact CG1-CD1 3.76Å; V449-L453 HydrophobicContact CG1-CG 4.32Å; V449-L453 WeakPolarHBondContact O-CB 3.22Å; V449-L453 WeakPolarHBondContact O-CG 3.41Å; V449-L453 PolarHBondContact O-N 2.69Å; V449-K585 HydrophobicContact CG2-CD 3.81Å; V449-K585 HydrophobicContact CG2-CG 4.06Å
450	T	97.7	Very high	96.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-55.5	-45.6	174.5	-52.5	0	0	0	0	111	S276 M351 F356 L363 P446 S447 H454	S276-T450 PolarHBondContact OG-OG1 2.79Å; M351-T450 HydrophobicContact CE-CG2 3.92Å; M351-T450 HydrophobicContact SD-CG2 4.03Å; F356-T450 HydrophobicContact CE2-CG2 4.24Å; L363-T450 HydrophobicContact CD1-CG2 3.83Å; P446-T450 WeakPolarHBondContact O-CB 3.43Å; P446-T450 PolarHBondContact O-N 3.21Å; P446-T450 PolarHBondContact O-OG1 3.17Å; S447-T450 PolarHBondContact O-N 3.26Å; T450-H454 WeakPolarHBondContact O-CB 3.43Å; T450-H454 PolarHBondContact O-N 2.91Å
451	A	97.9	Very high	96.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-66.6	-43	178.6	0	0	0	0	0	113.1	L363 S447 V448 V449 A455 T461 F463 Y556	L363-A451 HydrophobicContact CD1-CB 4.1Å; L363-A451 HydrophobicContact CD2-CB 3.96Å; L363-A451 HydrophobicContact CG-CB 4.39Å; S447-A451 WeakPolarHBondContact O-CB 3.48Å; S447-A451 PolarHBondContact O-N 3.08Å; V448-A451 PolarHBondContact O-N 2.8Å; V449-A451 VanDerWaalsContact C-N 3.3Å; V449-A451 PolarHBondContact O-N 3.31Å; A451-A455 WeakPolarHBondContact O-CB 3.32Å; A451-A455 PolarHBondContact O-N 3.37Å; A451-T461 HydrophobicContact CB-CG2 4.3Å; A451-F463 HydrophobicContact CB-CD2 3.77Å; A451-F463 HydrophobicContact CB-CE2 4.15Å; A451-Y556 HydrophobicContact CB-CD1 3.9Å; A451-Y556 HydrophobicContact CB-CE1 3.6Å; A451-Y556 HydrophobicContact CB-CE2 4.45Å; A451-Y556 HydrophobicContact CB-CG 4.48Å
452	D	96.8	Very high	96.3	Very high	16 Å²	16	21.6 Å²	21.6	9%	0.086	12%	0.117	C	C	.	.	H	α-helix	trans	-63.1	-44.8	177.3	-85.2	-11.7	0	0	0	111.4	V448 V449 R456 Y556 P558 Q561 K585	V448-D452 WeakPolarHBondContact O-CB 3.35Å; V448-D452 PolarHBondContact O-N 3.47Å; V449-D452 PolarHBondContact O-N 2.82Å; D452-R456 VanDerWaalsContact O-CB 3.22Å; D452-R456 WeakPolarHBondContact O-CB 3.38Å; D452-R456 PolarHBondContact O-N 3.49Å; D452-Y556 PolarHBondContact OD1-OH 3.38Å; D452-P558 WeakPolarHBondContact O-CG 3.31Å; D452-Q561 PolarHBondContact OD1-NE2 3.23Å; D452-Q561 PolarHBondContact OD2-NE2 3.45Å; D452-K585 IonicContact OD2-NZ 3.83Å; D452-K585 PolarHBondContact OD2-NZ 3Å
453	L	96.2	Very high	96.4	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-67.1	-48.2	-179.3	-70.6	172.6	0	0	0	111.1	M351 E352 F356 V449 A455 R456 Y457	M351-L453 HydrophobicContact CB-CB 4.25Å; M351-L453 HydrophobicContact CB-CD1 3.55Å; M351-L453 HydrophobicContact CB-CG 4.48Å; M351-L453 HydrophobicContact SD-CD1 4.27Å; E352-L453 HydrophobicContact CG-CD2 4.19Å; F356-L453 HydrophobicContact CE1-CB 4.48Å; F356-L453 HydrophobicContact CZ-CB 3.9Å; V449-L453 HydrophobicContact CG1-CD1 3.76Å; V449-L453 HydrophobicContact CG1-CG 4.32Å; V449-L453 WeakPolarHBondContact O-CB 3.22Å; V449-L453 WeakPolarHBondContact O-CG 3.41Å; V449-L453 PolarHBondContact O-N 2.69Å; L453-A455 PolarHBondContact O-N 3Å; L453-R456 WeakPolarHBondContact O-CB 3.45Å; L453-R456 PolarHBondContact O-N 3.12Å; L453-Y457 WeakPolarHBondContact O-CD2 3.26Å
454	H	97.2	Very high	96.4	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-62.9	-45	178.7	-171.5	-107.6	0	0	0	112.1	F356 Y359 I361 T450 R456 S459 T461	F356-H454 HydrophobicContact CE1-CB 4.43Å; F356-H454 HydrophobicContact CE2-CB 3.77Å; F356-H454 HydrophobicContact CZ-CB 3.71Å; Y359-H454 PolarHBondContact O-CE1 3.39Å; Y359-H454 VanDerWaalsContact O-CE1 3.26Å; Y359-H454 PolarHBondContact O-NE2 3.32Å; I361-H454 VanDerWaalsContact CG1-CE1 3.48Å; I361-H454 WeakPolarHBondContact CG1-CE1 3.33Å; T450-H454 WeakPolarHBondContact O-CB 3.43Å; T450-H454 PolarHBondContact O-N 2.91Å; H454-R456 PolarHBondContact O-N 3.2Å; H454-S459 WeakPolarHBondContact CE1-CB 3.02Å; H454-S459 VanDerWaalsContact NE2-CB 3.34Å; H454-S459 WeakPolarHBondContact NE2-CB 3.42Å; H454-T461 PolarHBondContact ND1-OG1 3.05Å
455	A	96.4	Very high	96.4	Very high	10 Å²	10	21.5 Å²	21.5	8%	0.083	12%	0.116	C	C	.	.	H	α-helix	trans	-75.5	-20.7	-178.4	0	0	0	0	0	114	A451 L453 Y457 G458 T461 Y556 P558	A451-A455 WeakPolarHBondContact O-CB 3.32Å; A451-A455 PolarHBondContact O-N 3.37Å; L453-A455 PolarHBondContact O-N 3Å; A455-Y457 PolarHBondContact O-N 3.47Å; A455-G458 PolarHBondContact O-N 2.88Å; A455-G458 VanDerWaalsContact O-N 3.08Å; A455-T461 HydrophobicContact CB-CG2 4.35Å; A455-Y556 HydrophobicContact CB-CD1 3.91Å; A455-Y556 HydrophobicContact CB-CE1 4.4Å; A455-P558 HydrophobicContact CB-CG 4.13Å
456	R	92.9	Very high	96.4	Very high	132 Å²	132	19.9 Å²	19.9	50%	0.498	11%	0.109	S	C	.	.	H	α-helix	trans	-56.2	-36.9	177	-179.4	-175.2	-64.4	175.8	1.2	112.3	E352 D452 L453 H454 P558	E352-R456 IonicContact OE1-NH1 2.66Å; D452-R456 VanDerWaalsContact O-CB 3.22Å; D452-R456 WeakPolarHBondContact O-CB 3.38Å; D452-R456 PolarHBondContact O-N 3.49Å; L453-R456 WeakPolarHBondContact O-CB 3.45Å; L453-R456 PolarHBondContact O-N 3.12Å; H454-R456 PolarHBondContact O-N 3.2Å; R456-P558 HydrophobicContact CB-CG 4.36Å
457	Y	85.4	Confident	96.4	Very high	114 Å²	114	21.1 Å²	21.1	45%	0.447	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	0.8	-178.8	-64.8	-79.6	0	0	0	113.8	E352 L357 L453 A455	E352-Y457 PolarHBondContact O-OH 3.12Å; L357-Y457 VanDerWaalsContact CD1-CB 3.48Å; L357-Y457 HydrophobicContact CD1-CD1 3.95Å; L357-Y457 HydrophobicContact CD1-CD2 3.63Å; L357-Y457 HydrophobicContact CD1-CE2 4.27Å; L357-Y457 HydrophobicContact CD1-CG 3.41Å; L357-Y457 VanDerWaalsContact CD1-CG 3.41Å; L357-Y457 HydrophobicContact CD2-CD2 3.75Å; L357-Y457 HydrophobicContact CD2-CG 4Å; L357-Y457 HydrophobicContact CG-CD2 4.23Å; L357-Y457 HydrophobicContact CG-CG 4.33Å; L453-Y457 WeakPolarHBondContact O-CD2 3.26Å; A455-Y457 PolarHBondContact O-N 3.47Å
458	G	88.4	Confident	96.3	Very high	64 Å²	64	22.4 Å²	22.4	66%	0.66	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.5	-0.1	175.4	0	0	0	0	0	115.5	A455	A455-G458 PolarHBondContact O-N 2.88Å; A455-G458 VanDerWaalsContact O-N 3.08Å
459	S	94.6	Very high	96.2	Very high	20 Å²	20	24.4 Å²	24.4	14%	0.14	13%	0.128	C	C	.	.			trans	-65.9	141.2	179.3	-62	0	0	0	0	111.8	L357 H454 T461	L357-S459 PolarHBondContact O-OG 3.03Å; H454-S459 WeakPolarHBondContact CE1-CB 3.02Å; H454-S459 VanDerWaalsContact NE2-CB 3.34Å; H454-S459 WeakPolarHBondContact NE2-CB 3.42Å; S459-T461 PolarHBondContact O-N 2.62Å; S459-T461 PolarHBondContact O-OG1 2.92Å
460	P	97.2	Very high	95.9	Very high	33 Å²	33	24.5 Å²	24.5	21%	0.214	13%	0.129	C	C	.	.			trans	-63.1	113.4	-171.6	-27.7	40.4	0	0	0	112.6	D360 I361	D360-P460 HydrophobicContact CB-CB 4.46Å; D360-P460 WeakPolarHBondContact OD1-CB 3.47Å; D360-P460 WeakPolarHBondContact OD1-CG 3.42Å; I361-P460 PolarHBondContact N-O 2.88Å
461	T	98.6	Very high	95.1	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.7	-176	-49.5	0	0	0	0	110.4	I361 L363 A451 H454 A455 S459 K555 Y556	I361-T461 CarbonylContact O-C 3.53Å; I361-T461 VanDerWaalsContact O-CA 3.29Å; I361-T461 WeakPolarHBondContact O-CA 3.07Å; L363-T461 HydrophobicContact CD2-CG2 3.82Å; A451-T461 HydrophobicContact CB-CG2 4.3Å; H454-T461 PolarHBondContact ND1-OG1 3.05Å; A455-T461 HydrophobicContact CB-CG2 4.35Å; S459-T461 PolarHBondContact O-N 2.62Å; S459-T461 PolarHBondContact O-OG1 2.92Å; T461-K555 WeakPolarHBondContact O-CA 3.33Å; T461-Y556 HydrophobicContact CG2-CD1 4.05Å; T461-Y556 HydrophobicContact CG2-CG 4.36Å; T461-Y556 PolarHBondContact O-N 3.44Å
462	Y	98.8	Very high	94.3	Very high	5 Å²	5	33.3 Å²	33.3	2%	0.02	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	115.4	176.6	-67.2	-91.6	0	0	0	110.5	I361 M362 L363 F524 G528 D529 P530 W553 K555	I361-Y462 PolarHBondContact O-N 3.41Å; M362-Y462 WeakPolarHBondContact CA-O 3.5Å; L363-Y462 PolarHBondContact N-O 3.26Å; Y462-F524 HydrophobicContact CD2-CD2 4.33Å; Y462-F524 AromaticContact CD2-CE2 3.99Å; Y462-F524 HydrophobicContact CD2-CE2 3.99Å; Y462-F524 HydrophobicContact CE2-CE2 4.31Å; Y462-G528 VanDerWaalsContact CE2-O 3.3Å; Y462-G528 WeakPolarHBondContact CE2-O 3.32Å; Y462-D529 PolarHBondContact OH-OD1 2.94Å; Y462-P530 HydrophobicContact CD1-CG 3.63Å; Y462-P530 HydrophobicContact CE1-CG 3.72Å; Y462-P530 HydrophobicContact CG-CG 4.03Å; Y462-W553 AromaticContact CD1-CD1 3.99Å; Y462-W553 HydrophobicContact CD1-CG 4.25Å; Y462-K555 HydrophobicContact CD1-CG 4.33Å; Y462-K555 HydrophobicContact CE1-CB 4.44Å; Y462-K555 HydrophobicContact CE1-CG 3.61Å; Y462-K555 HydrophobicContact CE2-CG 4.11Å; Y462-K555 VanDerWaalsContact CZ-CG 3.5Å; Y462-K555 WeakPolarHBondContact OH-CE 3.45Å
463	F	98.9	Very high	93.5	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	141.4	179.7	-155.7	-87.9	0	0	0	111.9	L363 V365 V448 A451 W553 Y556 Y563 L564 Y576	L363-F463 HydrophobicContact CD2-CD2 3.87Å; L363-F463 HydrophobicContact CG-CD2 3.86Å; L363-F463 HydrophobicContact CG-CE2 4.06Å; L363-F463 CarbonylContact O-C 3.57Å; L363-F463 VanDerWaalsContact O-CA 3.24Å; L363-F463 WeakPolarHBondContact O-CA 3.4Å; V365-F463 HydrophobicContact CG2-CZ 4.48Å; V448-F463 HydrophobicContact CG2-CE1 4.41Å; V448-F463 HydrophobicContact CG2-CE2 3.96Å; V448-F463 HydrophobicContact CG2-CZ 3.69Å; A451-F463 HydrophobicContact CB-CD2 3.77Å; A451-F463 HydrophobicContact CB-CE2 4.15Å; F463-W553 PolarHBondContact O-NE1 3.4Å; F463-Y556 HydrophobicContact CB-CD2 3.54Å; F463-Y556 HydrophobicContact CB-CE2 4.23Å; F463-Y556 HydrophobicContact CB-CG 4.07Å; F463-Y556 HydrophobicContact CG-CD2 4.23Å; F463-Y556 HydrophobicContact CG-CE2 4.46Å; F463-Y563 HydrophobicContact CD1-CG 4.49Å; F463-Y563 VanDerWaalsContact O-CA 3.26Å; F463-Y563 WeakPolarHBondContact O-CA 3.32Å; F463-Y563 WeakPolarHBondContact O-CB 3.36Å; F463-L564 PolarHBondContact O-N 3.28Å; F463-Y576 AromaticContact CE1-CD1 3.93Å; F463-Y576 HydrophobicContact CE1-CD1 3.93Å
464	Y	98.9	Very high	92.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	159.4	168.1	74	-95	0	0	0	112.8	Q273 L363 G364 V365 F466 W521 W553 L564 I566	Q273-Y464 WeakPolarHBondContact CA-OH 3.24Å; Q273-Y464 WeakPolarHBondContact CB-OH 3.46Å; Q273-Y464 WeakPolarHBondContact CG-OH 3.3Å; L363-Y464 VanDerWaalsContact O-CD1 3.32Å; L363-Y464 WeakPolarHBondContact O-CD1 3.06Å; L363-Y464 PolarHBondContact O-N 2.74Å; G364-Y464 WeakPolarHBondContact CA-O 3.27Å; V365-Y464 PolarHBondContact N-O 2.73Å; Y464-F466 HydrophobicContact CD2-CB 4.29Å; Y464-F466 HydrophobicContact CE2-CB 4.14Å; Y464-W521 AromaticContact CD1-CH2 3.96Å; Y464-W521 HydrophobicContact CD1-CH2 3.96Å; Y464-W521 HydrophobicContact CD1-CZ2 4.49Å; Y464-W521 AromaticContact CE1-CH2 3.78Å; Y464-W521 HydrophobicContact CE1-CH2 3.78Å; Y464-W521 AromaticContact CE1-CZ2 3.89Å; Y464-W521 HydrophobicContact CE1-CZ2 3.89Å; Y464-W521 HydrophobicContact CG-CH2 4.44Å; Y464-W553 AromaticContact CD1-CH2 3.97Å; Y464-W553 HydrophobicContact CD1-CH2 3.97Å; Y464-W553 HydrophobicContact CD1-CZ2 4.19Å; Y464-W553 HydrophobicContact CG-CH2 4.33Å; Y464-W553 HydrophobicContact CG-CZ2 4.43Å; Y464-L564 WeakPolarHBondContact CA-O 3.31Å; Y464-I566 HydrophobicContact CD2-CD1 4.01Å; Y464-I566 HydrophobicContact CG-CD1 3.87Å
465	A	98.7	Very high	92.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131.5	161.6	0	0	0	0	0	109.6	V365 Y467 Y563 L564 I566 Y576	V365-A465 CarbonylContact O-C 3.39Å; V365-A465 VanDerWaalsContact O-CA 3.27Å; V365-A465 WeakPolarHBondContact O-CA 3.32Å; A465-Y467 HydrophobicContact CB-CD2 4.11Å; A465-Y467 HydrophobicContact CB-CE2 3.68Å; A465-Y563 HydrophobicContact CB-CD2 3.84Å; A465-Y563 HydrophobicContact CB-CE2 3.75Å; A465-L564 PolarHBondContact N-O 3.31Å; A465-I566 PolarHBondContact O-N 3.41Å; A465-Y576 HydrophobicContact CB-CD1 4.5Å; A465-Y576 HydrophobicContact CB-CD2 4.1Å; A465-Y576 HydrophobicContact CB-CE1 4.17Å; A465-Y576 HydrophobicContact CB-CE2 3.75Å; A465-Y576 HydrophobicContact CB-CG 4.46Å
466	F	98.7	Very high	91.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	113.7	-172.2	-154.1	-102.2	0	0	0	110.9	V365 N366 Q367 Y464 H468 A481 E486 Y489 L513 V517 I566	V365-F466 PolarHBondContact O-N 3.15Å; N366-F466 HydrophobicContact CB-CB 4.46Å; N366-F466 WeakPolarHBondContact OD1-CB 3.5Å; Q367-F466 WeakPolarHBondContact CB-O 3.49Å; Q367-F466 PolarHBondContact N-O 3.07Å; Y464-F466 HydrophobicContact CD2-CB 4.29Å; Y464-F466 HydrophobicContact CE2-CB 4.14Å; F466-H468 WeakPolarHBondContact CD1-O 3.11Å; F466-H468 WeakPolarHBondContact CE1-O 3.48Å; F466-A481 HydrophobicContact CD1-CB 4.37Å; F466-A481 WeakPolarHBondContact O-CB 3.5Å; F466-E486 HydrophobicContact CD1-CB 3.79Å; F466-E486 HydrophobicContact CD2-CB 3.99Å; F466-E486 HydrophobicContact CE1-CB 3.74Å; F466-E486 HydrophobicContact CE2-CB 3.96Å; F466-E486 HydrophobicContact CG-CB 3.93Å; F466-E486 HydrophobicContact CZ-CB 3.84Å; F466-Y489 AromaticContact CE1-CD2 3.98Å; F466-Y489 HydrophobicContact CE1-CD2 3.98Å; F466-Y489 HydrophobicContact CE1-CE2 4.25Å; F466-Y489 AromaticContact CZ-CD2 3.71Å; F466-Y489 HydrophobicContact CZ-CD2 3.71Å; F466-Y489 HydrophobicContact CZ-CE2 4.32Å; F466-Y489 AromaticContact CZ-CG 3.93Å; F466-Y489 HydrophobicContact CZ-CG 3.93Å; F466-L513 HydrophobicContact CZ-CD2 4.26Å; F466-V517 HydrophobicContact CE2-CG2 4.04Å; F466-I566 HydrophobicContact CD2-CB 3.81Å; F466-I566 HydrophobicContact CD2-CD1 4.37Å; F466-I566 HydrophobicContact CD2-CG2 3.56Å; F466-I566 HydrophobicContact CE2-CB 4.3Å; F466-I566 HydrophobicContact CE2-CG2 3.52Å
467	Y	97.7	Very high	91.5	Very high	31 Å²	31	46.2 Å²	46.2	12%	0.122	26%	0.264	C	S	.	.			trans	-118.6	44.8	-173.8	-77.7	-104.9	0	0	0	110.8	Q367 A465 H565 I566 Y576 D761	Q367-Y467 HydrophobicContact CB-CD1 4.1Å; Q367-Y467 HydrophobicContact CB-CE1 4.42Å; Q367-Y467 HydrophobicContact CB-CG 4.27Å; Q367-Y467 HydrophobicContact CG-CD1 3.66Å; Q367-Y467 HydrophobicContact CG-CE1 3.72Å; Q367-Y467 HydrophobicContact CG-CG 4.33Å; A465-Y467 HydrophobicContact CB-CD2 4.11Å; A465-Y467 HydrophobicContact CB-CE2 3.68Å; Y467-H565 VanDerWaalsContact CB-CE1 3.47Å; Y467-H565 WeakPolarHBondContact CB-CE1 3.41Å; Y467-H565 AromaticContact CD1-NE2 3.7Å; Y467-H565 AromaticContact CD2-CD2 3.47Å; Y467-H565 VanDerWaalsContact CD2-CD2 3.47Å; Y467-H565 WeakPolarHBondContact CD2-CD2 3.3Å; Y467-H565 AromaticContact CD2-CG 3.91Å; Y467-H565 AromaticContact CD2-NE2 3.69Å; Y467-H565 AromaticContact CE2-CD2 3.59Å; Y467-H565 AromaticContact CG-CD2 3.75Å; Y467-H565 AromaticContact CG-CE1 3.78Å; Y467-H565 AromaticContact CG-NE2 3.43Å; Y467-H565 AromaticContact CZ-CD2 3.97Å; Y467-I566 PolarHBondContact N-O 2.93Å; Y467-Y576 HydrophobicContact CE2-CE2 4.13Å; Y467-Y576 WeakPolarHBondContact OH-CE2 3.4Å; Y467-D761 WeakPolarHBondContact CE1-OD2 3.39Å; Y467-D761 VanDerWaalsContact OH-CG 3.31Å; Y467-D761 PolarHBondContact OH-OD2 2.71Å
468	H	96.6	Very high	91.8	Very high	26 Å²	26	42.4 Å²	42.4	12%	0.12	25%	0.249	C	C	.	.			trans	-155.5	149.1	177.4	-172.7	78.1	0	0	0	110.6	F466 A481 Y489 D510 L513 L568	F466-H468 WeakPolarHBondContact CD1-O 3.11Å; F466-H468 WeakPolarHBondContact CE1-O 3.48Å; H468-A481 WeakPolarHBondContact O-CB 3.47Å; H468-Y489 AromaticContact CD2-CE1 3.86Å; H468-Y489 AromaticContact CD2-CZ 3.6Å; H468-Y489 PolarHBondContact CD2-OH 2.74Å; H468-Y489 VanDerWaalsContact CD2-OH 3.28Å; H468-Y489 AromaticContact NE2-CZ 3.96Å; H468-Y489 PolarHBondContact NE2-OH 3.15Å; H468-D510 IonicContact CD2-OD1 4Å; H468-D510 IonicContact CE1-OD1 2.69Å; H468-D510 IonicContact NE2-OD1 3.39Å; H468-D510 PolarHBondContact NE2-OD1 3.34Å; H468-L513 HydrophobicContact CB-CD2 3.65Å; H468-L513 WeakPolarHBondContact CD2-CD2 3.46Å; H468-L568 WeakPolarHBondContact ND1-CG 3.49Å
469	H	94.5	Very high	92	Very high	47 Å²	47	39.7 Å²	39.7	22%	0.218	22%	0.22	C	C	.	.			trans	-153.9	166	169	65.4	92.4	0	0	0	109.3	S479 A481 D485	H469-S479 PolarHBondContact NE2-O 3.06Å; H469-S479 VanDerWaalsContact NE2-O 3.13Å; H469-A481 HydrophobicContact CB-CB 4.45Å; H469-D485 HydrophobicContact CB-CB 4.04Å; H469-D485 VanDerWaalsContact CB-OD2 3.26Å; H469-D485 WeakPolarHBondContact CB-OD2 3.34Å; H469-D485 IonicContact CG-OD2 3.17Å
470	C	90.9	Very high	92	Very high	9 Å²	9	41.6 Å²	41.6	6%	0.061	23%	0.229	C	C	.	.			trans	-81.1	156	177.4	54	0	0	0	0	111	Y489 C504 F506	C470-Y489 WeakPolarHBondContact CA-OH 3.27Å; C470-Y489 WeakPolarHBondContact CB-OH 3.35Å; C470-Y489 PolarHBondContact N-OH 2.89Å; C470-C504 HydrophobicContact CB-CB 3.57Å; C470-C504 WeakPolarHBondContact CB-SG 3.19Å; C470-C504 WeakPolarHBondContact SG-CB 3.47Å; C470-C504 CovalentContact SG-SG 2.02Å; C470-C504 PolarHBondContact SG-SG 2.93Å; C470-F506 HydrophobicContact CB-CD1 3.69Å; C470-F506 HydrophobicContact CB-CE1 3.59Å
471	Q	80.9	Confident	91.9	Very high	156 Å²	156	40 Å²	40	73%	0.729	22%	0.218	S	C	*	.	B	Isolated β-bridge	trans	-80.6	122.4	174.2	-70.7	-173.7	-20.2	0	0	109.9	N505	Q471-N505 PolarHBondContact O-N 3.26Å
472	S	81.5	Confident	91.8	Very high	30 Å²	30	40 Å²	40	21%	0.21	22%	0.218	C	C	.	.			trans	-132.5	146.3	175.6	176	0	0	0	0	109.3	M474	S472-M474 PolarHBondContact O-N 2.94Å; S472-M474 WeakPolarHBondContact OG-CB 3.49Å; S472-M474 WeakPolarHBondContact OG-CG 3.26Å; S472-M474 PolarHBondContact OG-N 3.26Å; S472-M474 VanDerWaalsContact OG-N 3.08Å
473	L	79.9	Confident	91.7	Very high	180 Å²	180	40 Å²	40	94%	0.942	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-10.9	171.3	-64.1	174.6	0	0	0	112.5
474	M	78	Confident	91.5	Very high	84 Å²	84	39.9 Å²	39.9	41%	0.414	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	0.4	-177.4	-44.6	178.6	97.3	0	0	113	A125 N126 S472 P503	A125-M474 HydrophobicContact CB-CB 3.98Å; A125-M474 HydrophobicContact CB-CE 3.88Å; A125-M474 HydrophobicContact CB-SD 3.91Å; A125-M474 WeakPolarHBondContact O-CE 3.42Å; N126-M474 VanDerWaalsContact OD1-CE 3.31Å; N126-M474 WeakPolarHBondContact OD1-CE 3.32Å; N126-M474 PolarHBondContact OD1-SD 3.08Å; N126-M474 VanDerWaalsContact OD1-SD 3.35Å; S472-M474 PolarHBondContact O-N 2.94Å; S472-M474 WeakPolarHBondContact OG-CB 3.49Å; S472-M474 WeakPolarHBondContact OG-CG 3.26Å; S472-M474 PolarHBondContact OG-N 3.26Å; S472-M474 VanDerWaalsContact OG-N 3.08Å; M474-P503 HydrophobicContact SD-CG 3.84Å
475	K	85.7	Confident	91.4	Very high	21 Å²	21	40.5 Å²	40.5	9%	0.091	22%	0.221	C	C	.	.	S	Bend	trans	-121.1	139.5	173.7	-74.9	-168.9	72	-160.1	0	109.7	V121 S479 D480 D485	V121-K475 HydrophobicContact CG1-CD 4.19Å; V121-K475 HydrophobicContact CG1-CG 3.89Å; K475-S479 VanDerWaalsContact CE-OG 3.28Å; K475-S479 WeakPolarHBondContact CE-OG 3.31Å; K475-D480 PolarHBondContact NZ-O 3.36Å; K475-D485 IonicContact NZ-OD1 3.38Å; K475-D485 IonicContact NZ-OD2 2.82Å; K475-D485 PolarHBondContact NZ-OD2 2.81Å
476	P	89.5	Confident	91.4	Very high	42 Å²	42	40.5 Å²	40.5	27%	0.273	22%	0.221	S	C	.	.			trans	-58.3	141	173.7	-23.9	33.8	0	0	0	112.1	W478 S479	P476-W478 HydrophobicContact CB-CD2 3.96Å; P476-W478 VanDerWaalsContact CB-CE2 3.41Å; P476-W478 HydrophobicContact CB-CG 4.2Å; P476-W478 HydrophobicContact CB-CZ2 3.76Å; P476-W478 VanDerWaalsContact CB-NE1 3.33Å; P476-W478 HydrophobicContact CG-CH2 4.49Å; P476-W478 HydrophobicContact CG-CZ2 3.87Å; P476-W478 PolarHBondContact O-N 3.43Å; P476-S479 WeakPolarHBondContact O-CB 3.28Å; P476-S479 PolarHBondContact O-N 2.92Å; P476-S479 PolarHBondContact O-OG 3.17Å
477	A	88.5	Confident	91.3	Very high	106 Å²	106	40.5 Å²	40.5	88%	0.876	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-11.1	-173.9	0	0	0	0	0	114.7
478	W	90.6	Very high	91.3	Very high	34 Å²	34	39.2 Å²	39.2	13%	0.129	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-8.8	173.5	57.8	-103	0	0	0	114.5	L371 V374 V378 D382 R431 P476	L371-W478 HydrophobicContact CD1-CH2 3.47Å; L371-W478 VanDerWaalsContact CD1-CH2 3.47Å; L371-W478 HydrophobicContact CD1-CZ2 4.45Å; L371-W478 HydrophobicContact CD1-CZ3 3.55Å; V374-W478 HydrophobicContact CG2-CH2 3.96Å; V378-W478 HydrophobicContact CG1-CZ2 4.18Å; V378-W478 HydrophobicContact CG2-CH2 4.28Å; V378-W478 HydrophobicContact CG2-CZ2 3.99Å; D382-W478 HydrophobicContact CB-CG 4.46Å; D382-W478 VanDerWaalsContact CG-NE1 3.34Å; D382-W478 PolarHBondContact OD1-NE1 2.96Å; D382-W478 VanDerWaalsContact OD2-CD1 3.3Å; R431-W478 HydrophobicContact CG-CH2 4.4Å; R431-W478 VanDerWaalsContact CZ-CE3 3.42Å; R431-W478 VanDerWaalsContact NE-CD2 3.3Å; R431-W478 VanDerWaalsContact NE-CZ3 3.34Å; P476-W478 HydrophobicContact CB-CD2 3.96Å; P476-W478 VanDerWaalsContact CB-CE2 3.41Å; P476-W478 HydrophobicContact CB-CG 4.2Å; P476-W478 HydrophobicContact CB-CZ2 3.76Å; P476-W478 VanDerWaalsContact CB-NE1 3.33Å; P476-W478 HydrophobicContact CG-CH2 4.49Å; P476-W478 HydrophobicContact CG-CZ2 3.87Å; P476-W478 PolarHBondContact O-N 3.43Å
479	S	92.4	Very high	91.4	Very high	8 Å²	8	38 Å²	38	6%	0.056	21%	0.211	C	C	.	.			trans	-68.5	141.2	-177.3	62.3	0	0	0	0	111	H469 K475 P476	H469-S479 PolarHBondContact NE2-O 3.06Å; H469-S479 VanDerWaalsContact NE2-O 3.13Å; K475-S479 VanDerWaalsContact CE-OG 3.28Å; K475-S479 WeakPolarHBondContact CE-OG 3.31Å; P476-S479 WeakPolarHBondContact O-CB 3.28Å; P476-S479 PolarHBondContact O-N 2.92Å; P476-S479 PolarHBondContact O-OG 3.17Å
480	D	94.8	Very high	91.6	Very high	59 Å²	59	35.7 Å²	35.7	32%	0.316	20%	0.2	S	C	.	.			trans	-85.9	-171	169.4	-66	-65.1	0	0	0	110	Q367 K475 A482	Q367-D480 HydrophobicContact CB-CB 4.26Å; Q367-D480 HydrophobicContact CG-CB 4.05Å; Q367-D480 PolarHBondContact NE2-OD1 3.11Å; Q367-D480 PolarHBondContact NE2-OD2 2.85Å; K475-D480 PolarHBondContact NZ-O 3.36Å; D480-A482 PolarHBondContact O-N 3.4Å
481	A	96.4	Very high	91.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-61.8	116.1	173.3	0	0	0	0	0	110.7	N366 Q367 G368 F466 H468 H469 D485	N366-A481 HydrophobicContact CB-CB 4.27Å; Q367-A481 HydrophobicContact CB-CB 4.34Å; Q367-A481 PolarHBondContact N-O 2.92Å; G368-A481 CarbonylContact C-O 3.56Å; G368-A481 WeakPolarHBondContact CA-O 3.33Å; G368-A481 PolarHBondContact N-O 2.88Å; F466-A481 HydrophobicContact CD1-CB 4.37Å; F466-A481 WeakPolarHBondContact O-CB 3.5Å; H468-A481 WeakPolarHBondContact O-CB 3.47Å; H469-A481 HydrophobicContact CB-CB 4.45Å; A481-D485 WeakPolarHBondContact CA-OD2 3Å
482	A	96	Very high	92.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.164	C	C	.	.			trans	-107.6	-175.8	-171.5	0	0	0	0	0	111.7	V121 N366 L371 D480 G484 D485	V121-A482 HydrophobicContact CG2-CB 3.77Å; N366-A482 PolarHBondContact ND2-O 3.38Å; L371-A482 HydrophobicContact CB-CB 3.78Å; L371-A482 HydrophobicContact CD2-CB 3.72Å; L371-A482 HydrophobicContact CG-CB 4.4Å; D480-A482 PolarHBondContact O-N 3.4Å; A482-G484 PolarHBondContact O-N 2.76Å; A482-D485 PolarHBondContact N-OD2 2.66Å; A482-D485 WeakPolarHBondContact O-CB 3.43Å; A482-D485 PolarHBondContact O-N 2.84Å; A482-D485 VanDerWaalsContact O-N 3.15Å
483	H	96.8	Very high	93.3	Very high	5 Å²	5	27.2 Å²	27.2	2%	0.023	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	124.3	-171.6	-163.1	48.2	0	0	0	113.2	P120 V121 G248 S274 E369 W443 D485	P120-H483 WeakPolarHBondContact CA-O 3.33Å; V121-H483 PolarHBondContact N-O 3.22Å; G248-H483 VanDerWaalsContact CA-CE1 3.5Å; G248-H483 WeakPolarHBondContact CA-CE1 3.49Å; G248-H483 WeakPolarHBondContact CA-NE2 3.26Å; S274-H483 PolarHBondContact O-CE1 3.08Å; E369-H483 VanDerWaalsContact OE2-CA 3.27Å; E369-H483 WeakPolarHBondContact OE2-CA 3.37Å; E369-H483 IonicContact OE2-CE1 2.76Å; E369-H483 IonicContact OE2-CG 3.97Å; E369-H483 IonicContact OE2-ND1 3.78Å; E369-H483 PolarHBondContact OE2-ND1 2.83Å; W443-H483 AromaticContact CE2-ND1 3.81Å; W443-H483 HydrophobicContact CZ2-CB 4.27Å; W443-H483 AromaticContact CZ2-CG 3.83Å; W443-H483 AromaticContact CZ2-ND1 3.86Å; W443-H483 AromaticContact NE1-CE1 3.43Å; W443-H483 PolarHBondContact NE1-CE1 3.08Å; W443-H483 AromaticContact NE1-ND1 3.48Å; W443-H483 PolarHBondContact NE1-ND1 3.06Å; H483-D485 VanDerWaalsContact C-N 3.34Å; H483-D485 PolarHBondContact O-N 3.35Å
484	G	95	Very high	94.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	9.5	-178.7	0	0	0	0	0	116.5	W122 A482 E486 V487	W122-G484 VanDerWaalsContact CD1-O 3.24Å; W122-G484 PolarHBondContact NE1-O 3.04Å; W122-G484 VanDerWaalsContact NE1-O 3.08Å; A482-G484 PolarHBondContact O-N 2.76Å; G484-E486 VanDerWaalsContact CA-OE2 3.23Å; G484-E486 WeakPolarHBondContact CA-OE2 3.43Å; G484-E486 PolarHBondContact O-N 2.99Å; G484-V487 WeakPolarHBondContact O-CB 3.45Å; G484-V487 WeakPolarHBondContact O-CG2 3.44Å; G484-V487 PolarHBondContact O-N 3.12Å
485	D	96.5	Very high	94.8	Very high	12 Å²	12	16 Å²	16	6%	0.064	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.2	176.7	-85.4	-14.5	0	0	0	113.5	H469 K475 A481 A482 H483 P488 Y489	H469-D485 HydrophobicContact CB-CB 4.04Å; H469-D485 VanDerWaalsContact CB-OD2 3.26Å; H469-D485 WeakPolarHBondContact CB-OD2 3.34Å; H469-D485 IonicContact CG-OD2 3.17Å; K475-D485 IonicContact NZ-OD1 3.38Å; K475-D485 IonicContact NZ-OD2 2.82Å; K475-D485 PolarHBondContact NZ-OD2 2.81Å; A481-D485 WeakPolarHBondContact CA-OD2 3Å; A482-D485 PolarHBondContact N-OD2 2.66Å; A482-D485 WeakPolarHBondContact O-CB 3.43Å; A482-D485 PolarHBondContact O-N 2.84Å; A482-D485 VanDerWaalsContact O-N 3.15Å; H483-D485 VanDerWaalsContact C-N 3.34Å; H483-D485 PolarHBondContact O-N 3.35Å; D485-P488 WeakPolarHBondContact O-CD 3.17Å; D485-P488 WeakPolarHBondContact O-CG 3.5Å; D485-Y489 VanDerWaalsContact O-CD2 3.25Å; D485-Y489 WeakPolarHBondContact O-CD2 3.49Å; D485-Y489 WeakPolarHBondContact O-CE2 3.15Å
486	E	97.9	Very high	95.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-26.9	178.7	85.9	-57.2	156.2	0	0	112.8	S247 Q273 N366 F466 G484 Y489 V490	S247-E486 PolarHBondContact OG-OE1 3.24Å; S247-E486 VanDerWaalsContact OG-OE1 3.12Å; Q273-E486 PolarHBondContact NE2-OE1 3.34Å; N366-E486 PolarHBondContact ND2-OE2 3.25Å; F466-E486 HydrophobicContact CD1-CB 3.79Å; F466-E486 HydrophobicContact CD2-CB 3.99Å; F466-E486 HydrophobicContact CE1-CB 3.74Å; F466-E486 HydrophobicContact CE2-CB 3.96Å; F466-E486 HydrophobicContact CG-CB 3.93Å; F466-E486 HydrophobicContact CZ-CB 3.84Å; G484-E486 VanDerWaalsContact CA-OE2 3.23Å; G484-E486 WeakPolarHBondContact CA-OE2 3.43Å; G484-E486 PolarHBondContact O-N 2.99Å; E486-Y489 WeakPolarHBondContact O-CA 2.81Å; E486-Y489 WeakPolarHBondContact O-CB 3.31Å; E486-Y489 PolarHBondContact O-N 3.39Å; E486-V490 PolarHBondContact O-N 3.15Å
487	V	97.5	Very high	95.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-47.6	-53.3	179.1	179	0	0	0	0	113.5	W122 I179 G484 Y489 V490 F491 F502	W122-V487 HydrophobicContact CZ2-CG1 4.32Å; I179-V487 HydrophobicContact CD1-CG1 3.99Å; G484-V487 WeakPolarHBondContact O-CB 3.45Å; G484-V487 WeakPolarHBondContact O-CG2 3.44Å; G484-V487 PolarHBondContact O-N 3.12Å; V487-Y489 PolarHBondContact O-N 2.79Å; V487-V490 PolarHBondContact O-N 3.11Å; V487-V490 VanDerWaalsContact O-N 3.15Å; V487-F491 HydrophobicContact CG1-CD2 3.85Å; V487-F491 HydrophobicContact CG1-CE2 4.22Å; V487-F491 WeakPolarHBondContact O-CD2 3.46Å; V487-F491 PolarHBondContact O-N 3.06Å; V487-F502 HydrophobicContact CG1-CZ 4.2Å
488	P	96.9	Very high	95.2	Very high	4 Å²	4	15 Å²	15	3%	0.026	9%	0.088	C	C	.	.	H	α-helix	trans	-62	-27	179.4	22.7	-34	0	0	0	113.7	D485 G492 V493 P494 F502 F506	D485-P488 WeakPolarHBondContact O-CD 3.17Å; D485-P488 WeakPolarHBondContact O-CG 3.5Å; P488-G492 PolarHBondContact O-N 2.72Å; P488-V493 HydrophobicContact CB-CB 4.04Å; P488-V493 HydrophobicContact CB-CG2 4.06Å; P488-V493 PolarHBondContact O-N 2.71Å; P488-P494 WeakPolarHBondContact O-CD 3.25Å; P488-F502 HydrophobicContact CB-CD1 3.92Å; P488-F502 HydrophobicContact CB-CE1 4.14Å; P488-F502 HydrophobicContact CB-CG 4.28Å; P488-F502 HydrophobicContact CG-CD1 4.16Å; P488-F502 HydrophobicContact CG-CE1 4.27Å; P488-F506 HydrophobicContact CB-CE1 4.43Å; P488-F506 HydrophobicContact CB-CZ 4.13Å
489	Y	98.4	Very high	95.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-77.2	-36.5	176.1	-60.9	-90.5	0	0	0	112	F466 H468 C470 D485 E486 V487 P494 D510 L513 S514	F466-Y489 AromaticContact CE1-CD2 3.98Å; F466-Y489 HydrophobicContact CE1-CD2 3.98Å; F466-Y489 HydrophobicContact CE1-CE2 4.25Å; F466-Y489 AromaticContact CZ-CD2 3.71Å; F466-Y489 HydrophobicContact CZ-CD2 3.71Å; F466-Y489 HydrophobicContact CZ-CE2 4.32Å; F466-Y489 AromaticContact CZ-CG 3.93Å; F466-Y489 HydrophobicContact CZ-CG 3.93Å; H468-Y489 AromaticContact CD2-CE1 3.86Å; H468-Y489 AromaticContact CD2-CZ 3.6Å; H468-Y489 PolarHBondContact CD2-OH 2.74Å; H468-Y489 VanDerWaalsContact CD2-OH 3.28Å; H468-Y489 AromaticContact NE2-CZ 3.96Å; H468-Y489 PolarHBondContact NE2-OH 3.15Å; C470-Y489 WeakPolarHBondContact CA-OH 3.27Å; C470-Y489 WeakPolarHBondContact CB-OH 3.35Å; C470-Y489 PolarHBondContact N-OH 2.89Å; D485-Y489 VanDerWaalsContact O-CD2 3.25Å; D485-Y489 WeakPolarHBondContact O-CD2 3.49Å; D485-Y489 WeakPolarHBondContact O-CE2 3.15Å; E486-Y489 WeakPolarHBondContact O-CA 2.81Å; E486-Y489 WeakPolarHBondContact O-CB 3.31Å; E486-Y489 PolarHBondContact O-N 3.39Å; V487-Y489 PolarHBondContact O-N 2.79Å; Y489-P494 HydrophobicContact CD1-CG 4.16Å; Y489-P494 HydrophobicContact CE1-CG 4.24Å; Y489-D510 HydrophobicContact CE1-CB 3.8Å; Y489-D510 WeakPolarHBondContact CE1-OD1 3.48Å; Y489-D510 PolarHBondContact OH-OD1 3.37Å; Y489-L513 HydrophobicContact CD1-CB 4.24Å; Y489-L513 HydrophobicContact CD1-CD2 4.1Å; Y489-L513 HydrophobicContact CD1-CG 4.25Å; Y489-L513 HydrophobicContact CE1-CB 4.44Å; Y489-L513 HydrophobicContact CE1-CD2 4.08Å; Y489-S514 WeakPolarHBondContact O-CB 3.08Å; Y489-S514 PolarHBondContact O-OG 2.9Å
490	V	98.6	Very high	95	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-66.6	-37.7	174.4	174.9	0	0	0	0	111.8	F245 E486 V487 V517 M518 W521	F245-V490 HydrophobicContact CD2-CG1 4.42Å; F245-V490 HydrophobicContact CE2-CG1 3.88Å; E486-V490 PolarHBondContact O-N 3.15Å; V487-V490 PolarHBondContact O-N 3.11Å; V487-V490 VanDerWaalsContact O-N 3.15Å; V490-V517 HydrophobicContact CB-CG1 4.34Å; V490-V517 HydrophobicContact CG2-CG1 3.6Å; V490-M518 VanDerWaalsContact O-CG 3.3Å; V490-M518 WeakPolarHBondContact O-CG 3.45Å; V490-W521 HydrophobicContact CG1-CG 4.41Å; V490-W521 HydrophobicContact CG2-CD2 4.4Å; V490-W521 HydrophobicContact CG2-CZ2 3.95Å
491	F	98.2	Very high	94.8	Very high	5 Å²	5	18.7 Å²	18.7	2%	0.022	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	9.9	179.7	-72.6	-76.1	0	0	0	114.9	Y165 I179 L184 V192 F245 V487 V493	Y165-F491 HydrophobicContact CD1-CZ 4.14Å; Y165-F491 HydrophobicContact CD2-CE2 4.04Å; Y165-F491 AromaticContact CD2-CZ 3.6Å; Y165-F491 HydrophobicContact CD2-CZ 3.6Å; Y165-F491 HydrophobicContact CE1-CE2 4.48Å; Y165-F491 HydrophobicContact CE1-CZ 4.42Å; Y165-F491 AromaticContact CE2-CE2 3.84Å; Y165-F491 HydrophobicContact CE2-CE2 3.84Å; Y165-F491 AromaticContact CE2-CZ 3.9Å; Y165-F491 HydrophobicContact CE2-CZ 3.9Å; Y165-F491 HydrophobicContact CG-CE2 4.43Å; Y165-F491 AromaticContact CG-CZ 3.72Å; Y165-F491 HydrophobicContact CG-CZ 3.72Å; I179-F491 HydrophobicContact CG2-CD1 3.47Å; I179-F491 VanDerWaalsContact CG2-CD1 3.47Å; I179-F491 HydrophobicContact CG2-CD2 3.78Å; I179-F491 HydrophobicContact CG2-CE1 3.35Å; I179-F491 HydrophobicContact CG2-CE2 3.66Å; I179-F491 HydrophobicContact CG2-CG 3.69Å; I179-F491 HydrophobicContact CG2-CZ 3.45Å; I179-F491 VanDerWaalsContact CG2-CZ 3.45Å; L184-F491 HydrophobicContact CD2-CD1 4.13Å; L184-F491 HydrophobicContact CD2-CE1 3.99Å; V192-F491 HydrophobicContact CG1-CE1 4.46Å; F245-F491 HydrophobicContact CE2-CE1 4.09Å; F245-F491 HydrophobicContact CE2-CE2 4.04Å; F245-F491 AromaticContact CE2-CZ 3.43Å; F245-F491 HydrophobicContact CE2-CZ 3.43Å; F245-F491 VanDerWaalsContact CE2-CZ 3.43Å; F245-F491 AromaticContact CZ-CE1 3.81Å; F245-F491 HydrophobicContact CZ-CE1 3.81Å; F245-F491 AromaticContact CZ-CZ 3.5Å; F245-F491 HydrophobicContact CZ-CZ 3.5Å; F245-F491 VanDerWaalsContact CZ-CZ 3.5Å; V487-F491 HydrophobicContact CG1-CD2 3.85Å; V487-F491 HydrophobicContact CG1-CE2 4.22Å; V487-F491 WeakPolarHBondContact O-CD2 3.46Å; V487-F491 PolarHBondContact O-N 3.06Å; F491-V493 VanDerWaalsContact C-N 3.28Å; F491-V493 HydrophobicContact CB-CG2 4.41Å; F491-V493 PolarHBondContact O-N 3.13Å
492	G	96.8	Very high	94.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	5.3	170.9	0	0	0	0	0	115.9	P488 P494 M495 S514 M518	P488-G492 PolarHBondContact O-N 2.72Å; G492-P494 VanDerWaalsContact C-CD 3.42Å; G492-P494 VanDerWaalsContact C-N 3.33Å; G492-P494 VanDerWaalsContact O-N 3.16Å; G492-M495 VanDerWaalsContact O-CB 3.28Å; G492-M495 WeakPolarHBondContact O-CB 3.24Å; G492-M495 WeakPolarHBondContact O-CG 3.14Å; G492-M495 PolarHBondContact O-N 2.77Å; G492-S514 VanDerWaalsContact CA-OG 3.3Å; G492-S514 WeakPolarHBondContact CA-OG 3.28Å; G492-M518 VanDerWaalsContact CA-SD 3.55Å
493	V	95.8	Very high	94.1	Very high	11 Å²	11	22 Å²	22	7%	0.067	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-51.5	-40.9	-171.9	-171.8	0	0	0	0	113.6	P488 F491 M495 V496 G497 T499 F502 F506	P488-V493 HydrophobicContact CB-CB 4.04Å; P488-V493 HydrophobicContact CB-CG2 4.06Å; P488-V493 PolarHBondContact O-N 2.71Å; F491-V493 VanDerWaalsContact C-N 3.28Å; F491-V493 HydrophobicContact CB-CG2 4.41Å; F491-V493 PolarHBondContact O-N 3.13Å; V493-M495 PolarHBondContact O-N 3.14Å; V493-V496 WeakPolarHBondContact O-CG2 3.24Å; V493-V496 PolarHBondContact O-N 2.98Å; V493-G497 PolarHBondContact O-N 3.29Å; V493-G497 VanDerWaalsContact O-N 3.14Å; V493-T499 HydrophobicContact CG1-CG2 4.01Å; V493-F502 HydrophobicContact CG1-CB 4.06Å; V493-F502 HydrophobicContact CG1-CD2 4.19Å; V493-F502 HydrophobicContact CG1-CG 4.39Å; V493-F502 HydrophobicContact CG2-CD2 4.02Å; V493-F502 HydrophobicContact CG2-CE2 4.24Å; V493-F506 HydrophobicContact CB-CE2 4.48Å; V493-F506 HydrophobicContact CB-CZ 4.44Å; V493-F506 HydrophobicContact CG1-CE2 3.82Å; V493-F506 HydrophobicContact CG1-CZ 4.13Å
494	P	95.4	Very high	93.7	Very high	6 Å²	6	22.4 Å²	22.4	4%	0.039	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-53.9	-24.1	174.3	-29.2	36.7	0	0	0	115.5	P488 Y489 G492 F506 D510 V511	P488-P494 WeakPolarHBondContact O-CD 3.25Å; Y489-P494 HydrophobicContact CD1-CG 4.16Å; Y489-P494 HydrophobicContact CE1-CG 4.24Å; G492-P494 VanDerWaalsContact C-CD 3.42Å; G492-P494 VanDerWaalsContact C-N 3.33Å; G492-P494 VanDerWaalsContact O-N 3.16Å; P494-F506 HydrophobicContact CB-CB 4.09Å; P494-F506 HydrophobicContact CB-CD1 4.07Å; P494-F506 HydrophobicContact CB-CG 4Å; P494-F506 HydrophobicContact CG-CD1 3.63Å; P494-F506 HydrophobicContact CG-CE1 3.82Å; P494-F506 HydrophobicContact CG-CG 4.03Å; P494-F506 HydrophobicContact CG-CZ 4.39Å; P494-D510 HydrophobicContact CB-CB 4.13Å; P494-D510 HydrophobicContact CG-CB 4.24Å; P494-V511 HydrophobicContact CB-CG2 4.33Å; P494-V511 WeakPolarHBondContact O-CG2 3.43Å
495	M	92.8	Very high	93.4	Very high	24 Å²	24	28.1 Å²	28.1	12%	0.118	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-73.8	-23.2	179.6	-59.9	-167.9	173.7	0	0	113.9	L63 I183 Y187 G492 V493 V511 A515 M518 I541	L63-M495 HydrophobicContact CD1-SD 4.33Å; I183-M495 HydrophobicContact CG2-CB 4.38Å; I183-M495 HydrophobicContact CG2-SD 4.11Å; Y187-M495 HydrophobicContact CD2-CE 3.73Å; Y187-M495 HydrophobicContact CD2-SD 3.99Å; Y187-M495 HydrophobicContact CE2-CE 3.72Å; G492-M495 VanDerWaalsContact O-CB 3.28Å; G492-M495 WeakPolarHBondContact O-CB 3.24Å; G492-M495 WeakPolarHBondContact O-CG 3.14Å; G492-M495 PolarHBondContact O-N 2.77Å; V493-M495 PolarHBondContact O-N 3.14Å; M495-V511 HydrophobicContact CG-CG1 4.21Å; M495-A515 HydrophobicContact CE-CB 3.58Å; M495-M518 HydrophobicContact CE-CE 3.3Å; M495-M518 HydrophobicContact SD-CE 3.62Å; M495-I541 HydrophobicContact CE-CD1 4.48Å; M495-I541 HydrophobicContact CE-CG1 3.92Å; M495-I541 HydrophobicContact SD-CD1 3.89Å; M495-I541 HydrophobicContact SD-CG1 3.95Å
496	V	91.4	Very high	93.3	Very high	53 Å²	53	29 Å²	29	32%	0.321	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-18	176.9	-59.1	0	0	0	0	112.7	P59 I183 V493 T499	P59-V496 HydrophobicContact CG-CB 4.03Å; P59-V496 HydrophobicContact CG-CG1 3.66Å; I183-V496 HydrophobicContact CD1-CB 4.35Å; I183-V496 HydrophobicContact CD1-CG1 3.58Å; I183-V496 HydrophobicContact CD1-CG2 3.8Å; I183-V496 HydrophobicContact CG1-CG1 4.15Å; V493-V496 WeakPolarHBondContact O-CG2 3.24Å; V493-V496 PolarHBondContact O-N 2.98Å; V496-T499 HydrophobicContact CG2-CG2 4.31Å
497	G	89.9	Confident	93.1	Very high	15 Å²	15	31.3 Å²	31.3	16%	0.155	19%	0.185	C	C	.	.			trans	106.1	-165.2	177.5	0	0	0	0	0	112.8	V493	V493-G497 PolarHBondContact O-N 3.29Å; V493-G497 VanDerWaalsContact O-N 3.14Å
498	P	90.6	Very high	93	Very high	79 Å²	79	37.5 Å²	37.5	51%	0.513	21%	0.212	S	C	.	.			trans	-62	140	174.3	-13.6	26.8	0	0	0	110.5	C504	P498-C504 WeakPolarHBondContact CG-O 3.45Å
499	T	90.9	Very high	92.9	Very high	52 Å²	52	39.2 Å²	39.2	32%	0.319	22%	0.221	S	C	.	.			trans	-122.2	167.6	172	68.3	0	0	0	0	109.8	V493 V496 L501 F502 P503	V493-T499 HydrophobicContact CG1-CG2 4.01Å; V496-T499 HydrophobicContact CG2-CG2 4.31Å; T499-L501 PolarHBondContact O-N 2.87Å; T499-F502 PolarHBondContact N-O 2.84Å; T499-F502 VanDerWaalsContact N-O 3.1Å; T499-F502 CarbonylContact O-C 3.55Å; T499-F502 PolarHBondContact O-N 3.31Å; T499-F502 VanDerWaalsContact O-N 3.14Å; T499-F502 PolarHBondContact OG1-N 2.84Å; T499-P503 WeakPolarHBondContact O-CA 3.49Å; T499-P503 VanDerWaalsContact O-N 3.09Å
500	D	88.5	Confident	92.8	Very high	124 Å²	124	39.6 Å²	39.6	66%	0.663	22%	0.222	S	C	*	.	S	Bend	trans	-60.1	-35.7	-179.1	-56.2	-47.5	0	0	0	112.2	I129	I129-D500 HydrophobicContact CD1-CB 4.3Å; I129-D500 HydrophobicContact CG1-CB 4.49Å; I129-D500 HydrophobicContact CG2-CB 3.94Å
501	L	90.1	Very high	92.7	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	23%	0.228	C	C	.	.	S	Bend	trans	-80.8	-28.9	176.7	-173	64.1	0	0	0	113.1	W122 N126 I129 V130 Y133 M178 T499 P503	W122-L501 HydrophobicContact CE3-CD1 4.03Å; W122-L501 HydrophobicContact CE3-CD2 4.43Å; W122-L501 HydrophobicContact CE3-CG 4.13Å; W122-L501 HydrophobicContact CZ3-CD1 4.08Å; W122-L501 HydrophobicContact CZ3-CD2 4.09Å; W122-L501 HydrophobicContact CZ3-CG 4.24Å; N126-L501 PolarHBondContact ND2-O 3.22Å; I129-L501 HydrophobicContact CG2-CB 4.39Å; I129-L501 HydrophobicContact CG2-CD1 4.47Å; V130-L501 HydrophobicContact CG2-CD1 3.66Å; Y133-L501 HydrophobicContact CE2-CD2 4.48Å; M178-L501 HydrophobicContact CB-CD2 4.03Å; M178-L501 WeakPolarHBondContact O-CD2 3.41Å; T499-L501 PolarHBondContact O-N 2.87Å; L501-P503 VanDerWaalsContact C-CD 3.43Å; L501-P503 WeakPolarHBondContact O-CD 3.49Å
502	F	91.4	Very high	92.6	Very high	17 Å²	17	40.2 Å²	40.2	8%	0.075	23%	0.227	C	C	.	.			trans	-123.5	73	177.8	-60	-77	0	0	0	110.4	W122 I179 V487 P488 V493 T499 C504 F506	W122-F502 HydrophobicContact CB-CD1 4.13Å; W122-F502 HydrophobicContact CB-CE1 4.1Å; W122-F502 AromaticContact CD1-CE1 3.8Å; W122-F502 HydrophobicContact CD2-CD1 4.46Å; W122-F502 AromaticContact CD2-CE1 3.6Å; W122-F502 HydrophobicContact CD2-CE1 3.6Å; W122-F502 HydrophobicContact CD2-CZ 4.1Å; W122-F502 AromaticContact CE2-CE1 3.91Å; W122-F502 HydrophobicContact CE3-CE1 4.11Å; W122-F502 HydrophobicContact CE3-CZ 4.29Å; W122-F502 HydrophobicContact CG-CD1 4.12Å; W122-F502 AromaticContact CG-CE1 3.58Å; W122-F502 HydrophobicContact CG-CE1 3.58Å; W122-F502 AromaticContact NE1-CE1 3.95Å; I179-F502 HydrophobicContact CD1-CZ 4.33Å; V487-F502 HydrophobicContact CG1-CZ 4.2Å; P488-F502 HydrophobicContact CB-CD1 3.92Å; P488-F502 HydrophobicContact CB-CE1 4.14Å; P488-F502 HydrophobicContact CB-CG 4.28Å; P488-F502 HydrophobicContact CG-CD1 4.16Å; P488-F502 HydrophobicContact CG-CE1 4.27Å; V493-F502 HydrophobicContact CG1-CB 4.06Å; V493-F502 HydrophobicContact CG1-CD2 4.19Å; V493-F502 HydrophobicContact CG1-CG 4.39Å; V493-F502 HydrophobicContact CG2-CD2 4.02Å; V493-F502 HydrophobicContact CG2-CE2 4.24Å; T499-F502 PolarHBondContact N-O 2.84Å; T499-F502 VanDerWaalsContact N-O 3.1Å; T499-F502 CarbonylContact O-C 3.55Å; T499-F502 PolarHBondContact O-N 3.31Å; T499-F502 VanDerWaalsContact O-N 3.14Å; T499-F502 PolarHBondContact OG1-N 2.84Å; F502-C504 PolarHBondContact O-N 2.69Å; F502-F506 HydrophobicContact CB-CZ 4.39Å
503	P	87.4	Confident	92.6	Very high	53 Å²	53	40.2 Å²	40.2	34%	0.344	23%	0.227	S	C	.	.			trans	-77.1	43.5	-176.4	33.5	-38.7	0	0	0	112.7	N126 M474 T499 L501	N126-P503 WeakPolarHBondContact OD1-CG 3.4Å; M474-P503 HydrophobicContact SD-CG 3.84Å; T499-P503 WeakPolarHBondContact O-CA 3.49Å; T499-P503 VanDerWaalsContact O-N 3.09Å; L501-P503 VanDerWaalsContact C-CD 3.43Å; L501-P503 WeakPolarHBondContact O-CD 3.49Å
504	C	87.8	Confident	92.7	Very high	12 Å²	12	39.7 Å²	39.7	8%	0.081	22%	0.223	C	C	.	.			trans	-91.6	137	-177	-114.7	0	0	0	0	111.5	C470 P498 F502 F506	C470-C504 HydrophobicContact CB-CB 3.57Å; C470-C504 WeakPolarHBondContact CB-SG 3.19Å; C470-C504 WeakPolarHBondContact SG-CB 3.47Å; C470-C504 CovalentContact SG-SG 2.02Å; C470-C504 PolarHBondContact SG-SG 2.93Å; P498-C504 WeakPolarHBondContact CG-O 3.45Å; F502-C504 PolarHBondContact O-N 2.69Å; C504-F506 VanDerWaalsContact C-N 3.29Å; C504-F506 HydrophobicContact CB-CD1 4.17Å; C504-F506 HydrophobicContact CB-CD2 4.33Å; C504-F506 HydrophobicContact CB-CE1 3.69Å; C504-F506 HydrophobicContact CB-CE2 3.86Å; C504-F506 HydrophobicContact CB-CG 4.49Å; C504-F506 HydrophobicContact CB-CZ 3.52Å; C504-F506 VanDerWaalsContact O-CD2 3.25Å; C504-F506 WeakPolarHBondContact O-CD2 3.4Å; C504-F506 PolarHBondContact O-N 3.03Å
505	N	89.1	Confident	92.8	Very high	121 Å²	121	39.4 Å²	39.4	65%	0.647	22%	0.222	S	C	*	.	B	Isolated β-bridge	trans	-79.2	78.4	175.3	-80.7	-43.8	0	0	0	110.6	Q471 S507	Q471-N505 PolarHBondContact O-N 3.26Å; N505-S507 PolarHBondContact O-N 2.7Å
506	F	93.3	Very high	93	Very high	30 Å²	30	38.2 Å²	38.2	13%	0.132	22%	0.216	C	C	.	.			trans	-64.2	125.1	-179.3	-60.9	-65.5	0	0	0	112.3	C470 P488 V493 P494 F502 C504 D510	C470-F506 HydrophobicContact CB-CD1 3.69Å; C470-F506 HydrophobicContact CB-CE1 3.59Å; P488-F506 HydrophobicContact CB-CE1 4.43Å; P488-F506 HydrophobicContact CB-CZ 4.13Å; V493-F506 HydrophobicContact CB-CE2 4.48Å; V493-F506 HydrophobicContact CB-CZ 4.44Å; V493-F506 HydrophobicContact CG1-CE2 3.82Å; V493-F506 HydrophobicContact CG1-CZ 4.13Å; P494-F506 HydrophobicContact CB-CB 4.09Å; P494-F506 HydrophobicContact CB-CD1 4.07Å; P494-F506 HydrophobicContact CB-CG 4Å; P494-F506 HydrophobicContact CG-CD1 3.63Å; P494-F506 HydrophobicContact CG-CE1 3.82Å; P494-F506 HydrophobicContact CG-CG 4.03Å; P494-F506 HydrophobicContact CG-CZ 4.39Å; F502-F506 HydrophobicContact CB-CZ 4.39Å; C504-F506 VanDerWaalsContact C-N 3.29Å; C504-F506 HydrophobicContact CB-CD1 4.17Å; C504-F506 HydrophobicContact CB-CD2 4.33Å; C504-F506 HydrophobicContact CB-CE1 3.69Å; C504-F506 HydrophobicContact CB-CE2 3.86Å; C504-F506 HydrophobicContact CB-CG 4.49Å; C504-F506 HydrophobicContact CB-CZ 3.52Å; C504-F506 VanDerWaalsContact O-CD2 3.25Å; C504-F506 WeakPolarHBondContact O-CD2 3.4Å; C504-F506 PolarHBondContact O-N 3.03Å; F506-D510 HydrophobicContact CB-CB 4.15Å; F506-D510 HydrophobicContact CD1-CB 4.07Å
507	S	94.6	Very high	93.4	Very high	49 Å²	49	35.7 Å²	35.7	34%	0.343	20%	0.201	S	C	.	.			trans	-90.2	169.9	175.6	83.4	0	0	0	0	111.7	N505 N509 D510 V511	N505-S507 PolarHBondContact O-N 2.7Å; S507-N509 PolarHBondContact O-N 2.68Å; S507-N509 PolarHBondContact OG-N 2.99Å; S507-N509 VanDerWaalsContact OG-N 3.11Å; S507-D510 WeakPolarHBondContact CA-OD2 3.44Å; S507-D510 WeakPolarHBondContact CB-OD2 3.46Å; S507-D510 PolarHBondContact N-OD2 3.36Å; S507-D510 WeakPolarHBondContact O-CA 3.21Å; S507-D510 VanDerWaalsContact O-CB 3.32Å; S507-D510 WeakPolarHBondContact O-CB 3.35Å; S507-D510 PolarHBondContact O-N 3.39Å; S507-D510 PolarHBondContact OG-OD2 2.9Å; S507-V511 PolarHBondContact O-N 3.36Å
508	K	94.4	Very high	93.8	Very high	130 Å²	130	35 Å²	35	57%	0.565	19%	0.193	S	C	*	.	H	α-helix	trans	-60.7	-15.7	171.5	-63.1	-166.4	177.4	-169.5	0	114.3	T543 K544	K508-T543 WeakPolarHBondContact CB-OG1 3.39Å; K508-T543 PolarHBondContact O-OG1 3.24Å; K508-K544 HydrophobicContact CB-CG 3.85Å; K508-K544 WeakPolarHBondContact O-CG 3.41Å
509	N	95.6	Very high	94.2	Very high	40 Å²	40	31.4 Å²	31.4	21%	0.214	17%	0.17	C	C	.	.	H	α-helix	trans	-79	-30	170.3	-59.5	-66.3	0	0	0	111.8	S507 M512 L513 R547 L568	S507-N509 PolarHBondContact O-N 2.68Å; S507-N509 PolarHBondContact OG-N 2.99Å; S507-N509 VanDerWaalsContact OG-N 3.11Å; N509-M512 PolarHBondContact O-N 3.33Å; N509-L513 WeakPolarHBondContact O-CB 3.45Å; N509-L513 PolarHBondContact O-N 3.5Å; N509-R547 PolarHBondContact OD1-NH2 2.66Å; N509-L568 HydrophobicContact CB-CD1 4.2Å; N509-L568 HydrophobicContact CB-CD2 3.81Å
510	D	96.5	Very high	94.5	Very high	7 Å²	7	29 Å²	29	4%	0.037	16%	0.155	C	C	.	.	H	α-helix	trans	-72.7	-39.2	178.5	-58.2	-87	0	0	0	111.2	H468 Y489 P494 F506 S507 M512 L513 S514	H468-D510 IonicContact CD2-OD1 4Å; H468-D510 IonicContact CE1-OD1 2.69Å; H468-D510 IonicContact NE2-OD1 3.39Å; H468-D510 PolarHBondContact NE2-OD1 3.34Å; Y489-D510 HydrophobicContact CE1-CB 3.8Å; Y489-D510 WeakPolarHBondContact CE1-OD1 3.48Å; Y489-D510 PolarHBondContact OH-OD1 3.37Å; P494-D510 HydrophobicContact CB-CB 4.13Å; P494-D510 HydrophobicContact CG-CB 4.24Å; F506-D510 HydrophobicContact CB-CB 4.15Å; F506-D510 HydrophobicContact CD1-CB 4.07Å; S507-D510 WeakPolarHBondContact CA-OD2 3.44Å; S507-D510 WeakPolarHBondContact CB-OD2 3.46Å; S507-D510 PolarHBondContact N-OD2 3.36Å; S507-D510 WeakPolarHBondContact O-CA 3.21Å; S507-D510 VanDerWaalsContact O-CB 3.32Å; S507-D510 WeakPolarHBondContact O-CB 3.35Å; S507-D510 PolarHBondContact O-N 3.39Å; S507-D510 PolarHBondContact OG-OD2 2.9Å; D510-M512 VanDerWaalsContact C-N 3.34Å; D510-M512 PolarHBondContact O-N 3.27Å; D510-L513 PolarHBondContact O-N 3.4Å; D510-S514 WeakPolarHBondContact O-CB 3.43Å; D510-S514 PolarHBondContact O-N 2.95Å
511	V	95.9	Very high	95	Very high	18 Å²	18	23.1 Å²	23.1	11%	0.109	12%	0.123	C	C	.	.	H	α-helix	trans	-58.2	-46.8	170.6	-169.3	0	0	0	0	111.1	P494 M495 S507 S514 A515 I541 T543	P494-V511 HydrophobicContact CB-CG2 4.33Å; P494-V511 WeakPolarHBondContact O-CG2 3.43Å; M495-V511 HydrophobicContact CG-CG1 4.21Å; S507-V511 PolarHBondContact O-N 3.36Å; V511-S514 PolarHBondContact O-N 3.08Å; V511-A515 WeakPolarHBondContact O-CB 3.21Å; V511-A515 PolarHBondContact O-N 3.23Å; V511-I541 WeakPolarHBondContact CG1-O 3.45Å; V511-T543 HydrophobicContact CB-CG2 4.5Å; V511-T543 HydrophobicContact CG1-CG2 4Å
512	M	96.3	Very high	95.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.4	-45.3	176.3	-178.4	-79	-53	0	0	111.8	N509 D510 A515 V516 H542 K544 R547 L568	N509-M512 PolarHBondContact O-N 3.33Å; D510-M512 VanDerWaalsContact C-N 3.34Å; D510-M512 PolarHBondContact O-N 3.27Å; M512-A515 PolarHBondContact O-N 3.25Å; M512-V516 VanDerWaalsContact O-CG2 3.3Å; M512-V516 WeakPolarHBondContact O-CG2 3.34Å; M512-V516 PolarHBondContact O-N 2.98Å; M512-V516 HydrophobicContact SD-CG2 3.93Å; M512-H542 HydrophobicContact CB-CB 4.28Å; M512-H542 HydrophobicContact CG-CB 4.23Å; M512-H542 PolarHBondContact N-O 3.02Å; M512-K544 HydrophobicContact CB-CB 4.16Å; M512-K544 HydrophobicContact CG-CB 4.31Å; M512-R547 HydrophobicContact CE-CG 4.02Å; M512-R547 HydrophobicContact SD-CG 4.39Å; M512-L568 HydrophobicContact CE-CD2 4.26Å
513	L	97.4	Very high	95.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-67.3	-39.1	179.8	-172.7	65.9	0	0	0	112.2	F466 H468 Y489 N509 D510 V516 V517 F548 I566	F466-L513 HydrophobicContact CZ-CD2 4.26Å; H468-L513 HydrophobicContact CB-CD2 3.65Å; H468-L513 WeakPolarHBondContact CD2-CD2 3.46Å; Y489-L513 HydrophobicContact CD1-CB 4.24Å; Y489-L513 HydrophobicContact CD1-CD2 4.1Å; Y489-L513 HydrophobicContact CD1-CG 4.25Å; Y489-L513 HydrophobicContact CE1-CB 4.44Å; Y489-L513 HydrophobicContact CE1-CD2 4.08Å; N509-L513 WeakPolarHBondContact O-CB 3.45Å; N509-L513 PolarHBondContact O-N 3.5Å; D510-L513 PolarHBondContact O-N 3.4Å; L513-V516 WeakPolarHBondContact O-CB 3.44Å; L513-V516 PolarHBondContact O-N 2.96Å; L513-V517 HydrophobicContact CG-CG2 4.43Å; L513-V517 WeakPolarHBondContact O-CB 3.18Å; L513-V517 VanDerWaalsContact O-CG2 3.27Å; L513-V517 WeakPolarHBondContact O-CG2 3.49Å; L513-V517 PolarHBondContact O-N 3.36Å; L513-F548 HydrophobicContact CD1-CE2 3.76Å; L513-F548 HydrophobicContact CD1-CZ 3.65Å; L513-I566 HydrophobicContact CD1-CG2 3.9Å
514	S	97.8	Very high	96.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.5	-41.5	176.2	177.3	0	0	0	0	111.9	Y489 G492 D510 V511 V516 V517 M518	Y489-S514 WeakPolarHBondContact O-CB 3.08Å; Y489-S514 PolarHBondContact O-OG 2.9Å; G492-S514 VanDerWaalsContact CA-OG 3.3Å; G492-S514 WeakPolarHBondContact CA-OG 3.28Å; D510-S514 WeakPolarHBondContact O-CB 3.43Å; D510-S514 PolarHBondContact O-N 2.95Å; V511-S514 PolarHBondContact O-N 3.08Å; S514-V516 VanDerWaalsContact C-N 3.32Å; S514-V516 PolarHBondContact O-N 2.95Å; S514-V517 PolarHBondContact O-N 3.38Å; S514-M518 WeakPolarHBondContact O-CB 3.4Å; S514-M518 WeakPolarHBondContact O-CG 3.42Å; S514-M518 PolarHBondContact O-N 2.67Å
515	A	97.4	Very high	96.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.1	-42.7	171.5	0	0	0	0	0	112.4	Y187 M495 V511 M512 T519 H542	Y187-A515 HydrophobicContact CE2-CB 4.05Å; Y187-A515 PolarHBondContact OH-O 3.45Å; M495-A515 HydrophobicContact CE-CB 3.58Å; V511-A515 WeakPolarHBondContact O-CB 3.21Å; V511-A515 PolarHBondContact O-N 3.23Å; M512-A515 PolarHBondContact O-N 3.25Å; A515-T519 WeakPolarHBondContact O-CB 3.18Å; A515-T519 PolarHBondContact O-N 2.9Å; A515-T519 PolarHBondContact O-OG1 2.9Å; A515-H542 WeakPolarHBondContact CB-CD2 3.18Å
516	V	97.8	Very high	97.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.8	-48.9	175.1	166.6	0	0	0	0	111.9	M512 L513 S514 T519 Y520 Q536 N546 F548	M512-V516 VanDerWaalsContact O-CG2 3.3Å; M512-V516 WeakPolarHBondContact O-CG2 3.34Å; M512-V516 PolarHBondContact O-N 2.98Å; M512-V516 HydrophobicContact SD-CG2 3.93Å; L513-V516 WeakPolarHBondContact O-CB 3.44Å; L513-V516 PolarHBondContact O-N 2.96Å; S514-V516 VanDerWaalsContact C-N 3.32Å; S514-V516 PolarHBondContact O-N 2.95Å; V516-T519 WeakPolarHBondContact O-CB 3.4Å; V516-T519 PolarHBondContact O-N 3.17Å; V516-Y520 HydrophobicContact CG1-CD2 3.71Å; V516-Y520 HydrophobicContact CG1-CE2 3.44Å; V516-Y520 VanDerWaalsContact CG1-CE2 3.44Å; V516-Y520 WeakPolarHBondContact O-CD2 3.48Å; V516-Y520 PolarHBondContact O-N 3.32Å; V516-Q536 PolarHBondContact O-NE2 3.25Å; V516-N546 WeakPolarHBondContact CG2-ND2 3.48Å; V516-N546 WeakPolarHBondContact CG2-OD1 3.48Å; V516-F548 HydrophobicContact CB-CD2 4.14Å; V516-F548 HydrophobicContact CB-CE2 4.24Å; V516-F548 HydrophobicContact CG1-CB 4.18Å; V516-F548 HydrophobicContact CG1-CD1 3.71Å; V516-F548 HydrophobicContact CG1-CD2 3.58Å; V516-F548 HydrophobicContact CG1-CE1 3.78Å; V516-F548 HydrophobicContact CG1-CE2 3.69Å; V516-F548 HydrophobicContact CG1-CG 3.58Å; V516-F548 HydrophobicContact CG1-CZ 3.76Å; V516-F548 HydrophobicContact CG2-CB 4.38Å; V516-F548 HydrophobicContact CG2-CD2 3.59Å; V516-F548 HydrophobicContact CG2-CE2 4.04Å; V516-F548 HydrophobicContact CG2-CG 4.15Å
517	V	98.5	Very high	97.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.4	-51	-178.9	168	0	0	0	0	110.2	F466 V490 L513 S514 T519 Y520 W521 I566	F466-V517 HydrophobicContact CE2-CG2 4.04Å; V490-V517 HydrophobicContact CB-CG1 4.34Å; V490-V517 HydrophobicContact CG2-CG1 3.6Å; L513-V517 HydrophobicContact CG-CG2 4.43Å; L513-V517 WeakPolarHBondContact O-CB 3.18Å; L513-V517 VanDerWaalsContact O-CG2 3.27Å; L513-V517 WeakPolarHBondContact O-CG2 3.49Å; L513-V517 PolarHBondContact O-N 3.36Å; S514-V517 PolarHBondContact O-N 3.38Å; V517-T519 VanDerWaalsContact C-N 3.26Å; V517-T519 PolarHBondContact O-N 3.21Å; V517-Y520 PolarHBondContact O-N 3.11Å; V517-Y520 VanDerWaalsContact O-N 3.14Å; V517-W521 HydrophobicContact CG1-CD2 4.06Å; V517-W521 HydrophobicContact CG1-CE3 3.82Å; V517-W521 HydrophobicContact CG1-CH2 4.29Å; V517-W521 HydrophobicContact CG1-CZ2 4.48Å; V517-W521 HydrophobicContact CG1-CZ3 3.95Å; V517-W521 VanDerWaalsContact O-CE3 3.26Å; V517-W521 PolarHBondContact O-N 2.73Å; V517-I566 HydrophobicContact CG2-CG2 4.11Å
518	M	98.6	Very high	97.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.9	-33.9	175.6	-68.6	-164.8	-67.9	0	0	112.5	I183 L184 Y187 V490 G492 M495 S514 T522	I183-M518 HydrophobicContact CG2-CE 4.26Å; I183-M518 HydrophobicContact CG2-SD 4.47Å; L184-M518 HydrophobicContact CB-SD 4.19Å; L184-M518 HydrophobicContact CD1-CB 4.16Å; L184-M518 HydrophobicContact CD1-CG 3.88Å; L184-M518 HydrophobicContact CD1-SD 4.01Å; Y187-M518 HydrophobicContact CD1-CB 3.62Å; Y187-M518 HydrophobicContact CD1-CE 3.88Å; Y187-M518 HydrophobicContact CD1-SD 4.33Å; Y187-M518 HydrophobicContact CD2-CE 4.02Å; Y187-M518 HydrophobicContact CE1-CB 3.77Å; Y187-M518 HydrophobicContact CE1-CE 4.44Å; Y187-M518 HydrophobicContact CG-CE 3.67Å; Y187-M518 HydrophobicContact CG-SD 4.41Å; V490-M518 VanDerWaalsContact O-CG 3.3Å; V490-M518 WeakPolarHBondContact O-CG 3.45Å; G492-M518 VanDerWaalsContact CA-SD 3.55Å; M495-M518 HydrophobicContact CE-CE 3.3Å; M495-M518 HydrophobicContact SD-CE 3.62Å; S514-M518 WeakPolarHBondContact O-CB 3.4Å; S514-M518 WeakPolarHBondContact O-CG 3.42Å; S514-M518 PolarHBondContact O-N 2.67Å; M518-T522 VanDerWaalsContact O-CB 3.3Å; M518-T522 WeakPolarHBondContact O-CB 3.17Å; M518-T522 WeakPolarHBondContact O-CG2 3.44Å; M518-T522 PolarHBondContact O-N 3.07Å; M518-T522 PolarHBondContact O-OG1 2.93Å
519	T	98.3	Very high	97.7	Very high	4 Å²	4	8.7 Å²	8.7	3%	0.025	5%	0.05	C	C	.	.	H	α-helix	trans	-62	-51.5	172.3	-66.1	0	0	0	0	111	Y187 A515 V516 V517 N523 V534	Y187-T519 PolarHBondContact OH-OG1 3.49Å; A515-T519 WeakPolarHBondContact O-CB 3.18Å; A515-T519 PolarHBondContact O-N 2.9Å; A515-T519 PolarHBondContact O-OG1 2.9Å; V516-T519 WeakPolarHBondContact O-CB 3.4Å; V516-T519 PolarHBondContact O-N 3.17Å; V517-T519 VanDerWaalsContact C-N 3.26Å; V517-T519 PolarHBondContact O-N 3.21Å; T519-N523 WeakPolarHBondContact O-CB 3.3Å; T519-N523 PolarHBondContact O-N 3.35Å; T519-N523 PolarHBondContact O-ND2 3.39Å; T519-V534 HydrophobicContact CG2-CB 4.22Å; T519-V534 HydrophobicContact CG2-CG1 4.22Å
520	Y	98.7	Very high	97.8	Very high	1 Å²	1	6.8 Å²	6.8	0%	0.004	4%	0.04	C	C	.	.	H	α-helix	trans	-63.1	-45.2	179.1	-72.2	-54.7	0	0	0	112.9	V516 V517 F524 P530 Q536 F548 V551 W553 L564	V516-Y520 HydrophobicContact CG1-CD2 3.71Å; V516-Y520 HydrophobicContact CG1-CE2 3.44Å; V516-Y520 VanDerWaalsContact CG1-CE2 3.44Å; V516-Y520 WeakPolarHBondContact O-CD2 3.48Å; V516-Y520 PolarHBondContact O-N 3.32Å; V517-Y520 PolarHBondContact O-N 3.11Å; V517-Y520 VanDerWaalsContact O-N 3.14Å; Y520-F524 WeakPolarHBondContact O-CB 3.35Å; Y520-F524 PolarHBondContact O-N 2.87Å; Y520-P530 HydrophobicContact CD1-CB 3.97Å; Y520-P530 WeakPolarHBondContact CD1-O 3.32Å; Y520-P530 HydrophobicContact CG-CB 4.46Å; Y520-Q536 VanDerWaalsContact CD2-NE2 3.32Å; Y520-Q536 HydrophobicContact CE1-CG 4.03Å; Y520-Q536 VanDerWaalsContact CE2-NE2 3.31Å; Y520-F548 AromaticContact CE2-CD1 3.7Å; Y520-F548 HydrophobicContact CE2-CD1 3.7Å; Y520-F548 HydrophobicContact CE2-CE1 4.07Å; Y520-F548 HydrophobicContact CE2-CG 4.43Å; Y520-F548 WeakPolarHBondContact OH-CD1 3.46Å; Y520-V551 PolarHBondContact OH-O 2.9Å; Y520-W553 AromaticContact CD1-CE3 3.91Å; Y520-W553 HydrophobicContact CD1-CE3 3.91Å; Y520-W553 HydrophobicContact CD2-CE3 4.24Å; Y520-W553 HydrophobicContact CD2-CZ3 4.42Å; Y520-W553 HydrophobicContact CE1-CB 4.3Å; Y520-W553 HydrophobicContact CE1-CE3 4.34Å; Y520-W553 AromaticContact CG-CE3 3.86Å; Y520-W553 HydrophobicContact CG-CE3 3.86Å; Y520-W553 HydrophobicContact CG-CZ3 4.1Å; Y520-L564 HydrophobicContact CD2-CD2 4.17Å; Y520-L564 HydrophobicContact CE2-CD2 3.63Å
521	W	98.8	Very high	97.9	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-63.2	-46.5	179.8	-92.7	-125.2	0	0	0	111.5	M163 I271 Q273 M362 Y464 V490 V517 F524 A525 W553 I566	M163-W521 HydrophobicContact CE-CB 4.32Å; I271-W521 HydrophobicContact CD1-CB 4.38Å; I271-W521 HydrophobicContact CD1-CG 4.01Å; I271-W521 HydrophobicContact CG2-CZ2 4.49Å; Q273-W521 HydrophobicContact CG-CZ2 4.35Å; M362-W521 HydrophobicContact SD-CD2 4.03Å; M362-W521 HydrophobicContact SD-CE3 3.96Å; M362-W521 HydrophobicContact SD-CH2 4.27Å; M362-W521 HydrophobicContact SD-CZ2 4.33Å; M362-W521 HydrophobicContact SD-CZ3 4.08Å; Y464-W521 AromaticContact CD1-CH2 3.96Å; Y464-W521 HydrophobicContact CD1-CH2 3.96Å; Y464-W521 HydrophobicContact CD1-CZ2 4.49Å; Y464-W521 AromaticContact CE1-CH2 3.78Å; Y464-W521 HydrophobicContact CE1-CH2 3.78Å; Y464-W521 AromaticContact CE1-CZ2 3.89Å; Y464-W521 HydrophobicContact CE1-CZ2 3.89Å; Y464-W521 HydrophobicContact CG-CH2 4.44Å; V490-W521 HydrophobicContact CG1-CG 4.41Å; V490-W521 HydrophobicContact CG2-CD2 4.4Å; V490-W521 HydrophobicContact CG2-CZ2 3.95Å; V517-W521 HydrophobicContact CG1-CD2 4.06Å; V517-W521 HydrophobicContact CG1-CE3 3.82Å; V517-W521 HydrophobicContact CG1-CH2 4.29Å; V517-W521 HydrophobicContact CG1-CZ2 4.48Å; V517-W521 HydrophobicContact CG1-CZ3 3.95Å; V517-W521 VanDerWaalsContact O-CE3 3.26Å; V517-W521 PolarHBondContact O-N 2.73Å; W521-F524 PolarHBondContact O-N 3.29Å; W521-A525 PolarHBondContact O-N 3.37Å; W521-W553 HydrophobicContact CZ3-CH2 4.16Å; W521-W553 HydrophobicContact CZ3-CZ3 4.02Å; W521-I566 HydrophobicContact CH2-CD1 4.02Å; W521-I566 HydrophobicContact CZ3-CD1 3.95Å
522	T	98.6	Very high	97.8	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.012	7%	0.068	C	C	.	.	H	α-helix	trans	-76.1	-30.9	-178.2	64.6	0	0	0	0	112.5	M163 L184 V190 M518 A525 K526	M163-T522 HydrophobicContact SD-CG2 4.05Å; L184-T522 HydrophobicContact CD1-CG2 3.56Å; V190-T522 HydrophobicContact CG1-CG2 4.23Å; V190-T522 HydrophobicContact CG2-CG2 4.03Å; M518-T522 VanDerWaalsContact O-CB 3.3Å; M518-T522 WeakPolarHBondContact O-CB 3.17Å; M518-T522 WeakPolarHBondContact O-CG2 3.44Å; M518-T522 PolarHBondContact O-N 3.07Å; M518-T522 PolarHBondContact O-OG1 2.93Å; T522-A525 PolarHBondContact O-N 3.19Å; T522-K526 WeakPolarHBondContact O-CB 3.25Å; T522-K526 VanDerWaalsContact O-CD 3.25Å; T522-K526 WeakPolarHBondContact O-CD 3.45Å; T522-K526 WeakPolarHBondContact O-CG 3.43Å; T522-K526 PolarHBondContact O-N 3.49Å
523	N	98.4	Very high	97.7	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-60	-47.1	168.4	-85.2	-12.9	0	0	0	111.7	T519 A525 K526 T527 D529 P530 K532 P533 V534	T519-N523 WeakPolarHBondContact O-CB 3.3Å; T519-N523 PolarHBondContact O-N 3.35Å; T519-N523 PolarHBondContact O-ND2 3.39Å; N523-A525 PolarHBondContact O-N 3.44Å; N523-K526 WeakPolarHBondContact O-CB 3.46Å; N523-K526 PolarHBondContact O-N 3.48Å; N523-K526 VanDerWaalsContact O-N 3.16Å; N523-T527 PolarHBondContact O-N 3.4Å; N523-T527 PolarHBondContact O-OG1 3.4Å; N523-T527 VanDerWaalsContact O-OG1 3.05Å; N523-D529 CarbonylContact C-O 3.57Å; N523-P530 WeakPolarHBondContact CB-O 3.47Å; N523-P530 PolarHBondContact ND2-O 3.31Å; N523-K532 CarbonylContact C-O 3.58Å; N523-K532 VanDerWaalsContact C-O 3.31Å; N523-K532 WeakPolarHBondContact CA-O 3.5Å; N523-K532 WeakPolarHBondContact CB-O 3.4Å; N523-K532 VanDerWaalsContact CG-O 3.27Å; N523-K532 VanDerWaalsContact OD1-C 3.27Å; N523-K532 PolarHBondContact OD1-O 2.67Å; N523-P533 WeakPolarHBondContact OD1-CD 3.28Å; N523-V534 PolarHBondContact ND2-O 2.69Å; N523-V534 WeakPolarHBondContact OD1-CB 3.48Å; N523-V534 PolarHBondContact OD1-N 3.36Å
524	F	98.8	Very high	97.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.4	-45.8	175.8	-178.2	-104.8	0	0	0	111.2	T243 R269 A270 I271 D360 M362 Y462 Y520 W521 K526 T527 G528 P530	T243-F524 HydrophobicContact CG2-CD1 4.47Å; R269-F524 HydrophobicContact CB-CE1 3.94Å; R269-F524 HydrophobicContact CB-CZ 4.35Å; R269-F524 WeakPolarHBondContact CD-O 3.19Å; R269-F524 PolarHBondContact NE-O 3.43Å; A270-F524 WeakPolarHBondContact O-CE1 3.41Å; I271-F524 HydrophobicContact CD1-CD1 3.89Å; I271-F524 HydrophobicContact CD1-CE1 4.46Å; I271-F524 HydrophobicContact CG1-CD1 3.7Å; I271-F524 HydrophobicContact CG1-CE1 3.77Å; D360-F524 HydrophobicContact CB-CE2 3.82Å; D360-F524 HydrophobicContact CB-CZ 3.68Å; D360-F524 WeakPolarHBondContact O-CZ 3.41Å; M362-F524 HydrophobicContact CB-CD1 4.13Å; M362-F524 HydrophobicContact CB-CD2 4.49Å; M362-F524 HydrophobicContact CB-CE1 3.85Å; M362-F524 HydrophobicContact CB-CE2 4.23Å; M362-F524 HydrophobicContact CB-CG 4.43Å; M362-F524 HydrophobicContact CB-CZ 3.89Å; M362-F524 HydrophobicContact CE-CB 3.6Å; M362-F524 HydrophobicContact CE-CD1 4.2Å; M362-F524 HydrophobicContact CE-CD2 4.14Å; M362-F524 HydrophobicContact CE-CG 3.72Å; Y462-F524 HydrophobicContact CD2-CD2 4.33Å; Y462-F524 AromaticContact CD2-CE2 3.99Å; Y462-F524 HydrophobicContact CD2-CE2 3.99Å; Y462-F524 HydrophobicContact CE2-CE2 4.31Å; Y520-F524 WeakPolarHBondContact O-CB 3.35Å; Y520-F524 PolarHBondContact O-N 2.87Å; W521-F524 PolarHBondContact O-N 3.29Å; F524-K526 VanDerWaalsContact C-N 3.31Å; F524-K526 PolarHBondContact O-N 3.22Å; F524-T527 PolarHBondContact O-N 3.25Å; F524-G528 WeakPolarHBondContact O-CA 3.3Å; F524-G528 PolarHBondContact O-N 3.18Å; F524-P530 HydrophobicContact CB-CB 4.3Å
525	A	98.4	Very high	97.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.5	-39.4	174	0	0	0	0	0	113.2	M163 T243 R269 W521 T522 N523	M163-A525 HydrophobicContact CE-CB 4.36Å; M163-A525 HydrophobicContact CG-CB 3.64Å; M163-A525 HydrophobicContact SD-CB 3.73Å; T243-A525 HydrophobicContact CG2-CB 4.31Å; T243-A525 VanDerWaalsContact OG1-CA 3.31Å; T243-A525 WeakPolarHBondContact OG1-CA 3.3Å; T243-A525 WeakPolarHBondContact OG1-CB 3.3Å; R269-A525 PolarHBondContact NH1-O 2.64Å; W521-A525 PolarHBondContact O-N 3.37Å; T522-A525 PolarHBondContact O-N 3.19Å; N523-A525 PolarHBondContact O-N 3.44Å
526	K	97.3	Very high	97	Very high	20 Å²	20	21.4 Å²	21.4	9%	0.087	12%	0.119	C	C	.	.	H	α-helix	trans	-65.4	-38.2	177.5	-74.6	159.1	-169.7	167.5	0	113.7	P161 G188 T522 N523 F524 P533	P161-K526 HydrophobicContact CB-CG 4.42Å; P161-K526 HydrophobicContact CG-CB 4.23Å; P161-K526 HydrophobicContact CG-CG 3.46Å; P161-K526 VanDerWaalsContact CG-CG 3.46Å; G188-K526 WeakPolarHBondContact O-CE 3.49Å; G188-K526 PolarHBondContact O-NZ 2.85Å; T522-K526 WeakPolarHBondContact O-CB 3.25Å; T522-K526 VanDerWaalsContact O-CD 3.25Å; T522-K526 WeakPolarHBondContact O-CD 3.45Å; T522-K526 WeakPolarHBondContact O-CG 3.43Å; T522-K526 PolarHBondContact O-N 3.49Å; N523-K526 WeakPolarHBondContact O-CB 3.46Å; N523-K526 PolarHBondContact O-N 3.48Å; N523-K526 VanDerWaalsContact O-N 3.16Å; F524-K526 VanDerWaalsContact C-N 3.31Å; F524-K526 PolarHBondContact O-N 3.22Å; K526-P533 HydrophobicContact CD-CG 4.08Å
527	T	97.1	Very high	96.5	Very high	60 Å²	60	24.6 Å²	24.6	37%	0.368	14%	0.136	S	C	.	.	H	α-helix	trans	-140.4	-14.8	-162.1	69.1	0	0	0	0	117.6	N523 F524 D529 K532	N523-T527 PolarHBondContact O-N 3.4Å; N523-T527 PolarHBondContact O-OG1 3.4Å; N523-T527 VanDerWaalsContact O-OG1 3.05Å; F524-T527 PolarHBondContact O-N 3.25Å; T527-D529 VanDerWaalsContact C-N 3.27Å; T527-D529 PolarHBondContact OG1-N 2.96Å; T527-D529 VanDerWaalsContact OG1-N 3.11Å; T527-D529 PolarHBondContact OG1-O 2.81Å; T527-D529 VanDerWaalsContact OG1-O 3.07Å; T527-K532 HydrophobicContact CG2-CB 4.26Å; T527-K532 WeakPolarHBondContact CG2-O 3.32Å; T527-K532 PolarHBondContact OG1-O 3.42Å
528	G	97.6	Very high	95.9	Very high	5 Å²	5	27.6 Å²	27.6	5%	0.052	16%	0.155	C	C	.	.	S	Bend	trans	81.2	3.3	-168	0	0	0	0	0	114.2	R269 D360 Y462 F524	R269-G528 VanDerWaalsContact CZ-N 3.34Å; D360-G528 VanDerWaalsContact OD2-CA 3.29Å; D360-G528 WeakPolarHBondContact OD2-CA 2.96Å; Y462-G528 VanDerWaalsContact CE2-O 3.3Å; Y462-G528 WeakPolarHBondContact CE2-O 3.32Å; F524-G528 WeakPolarHBondContact O-CA 3.3Å; F524-G528 PolarHBondContact O-N 3.18Å
529	D	98.1	Very high	95.2	Very high	25 Å²	25	31.3 Å²	31.3	13%	0.134	17%	0.171	C	C	.	.			trans	-129.9	114.6	176.9	-175.8	-8.4	0	0	0	109.2	Y462 N523 T527 N531 K532	Y462-D529 PolarHBondContact OH-OD1 2.94Å; N523-D529 CarbonylContact C-O 3.57Å; T527-D529 VanDerWaalsContact C-N 3.27Å; T527-D529 PolarHBondContact OG1-N 2.96Å; T527-D529 VanDerWaalsContact OG1-N 3.11Å; T527-D529 PolarHBondContact OG1-O 2.81Å; T527-D529 VanDerWaalsContact OG1-O 3.07Å; D529-N531 PolarHBondContact O-N 3.08Å; D529-N531 WeakPolarHBondContact OD1-CB 3.4Å; D529-N531 PolarHBondContact OD1-N 3.45Å; D529-N531 PolarHBondContact OD1-ND2 3.09Å; D529-K532 HydrophobicContact CB-CB 4.4Å; D529-K532 HydrophobicContact CB-CG 4.43Å; D529-K532 PolarHBondContact O-N 2.98Å; D529-K532 IonicContact OD2-NZ 3.64Å; D529-K532 PolarHBondContact OD2-NZ 2.9Å
530	P	98.1	Very high	94.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.7	-178.9	28.1	-34.3	0	0	0	112.7	M362 Y462 Y520 N523 F524 W553	M362-P530 HydrophobicContact CE-CB 3.74Å; M362-P530 HydrophobicContact CE-CG 4.26Å; Y462-P530 HydrophobicContact CD1-CG 3.63Å; Y462-P530 HydrophobicContact CE1-CG 3.72Å; Y462-P530 HydrophobicContact CG-CG 4.03Å; Y520-P530 HydrophobicContact CD1-CB 3.97Å; Y520-P530 WeakPolarHBondContact CD1-O 3.32Å; Y520-P530 HydrophobicContact CG-CB 4.46Å; N523-P530 WeakPolarHBondContact CB-O 3.47Å; N523-P530 PolarHBondContact ND2-O 3.31Å; F524-P530 HydrophobicContact CB-CB 4.3Å; P530-W553 HydrophobicContact CB-CD2 4.38Å; P530-W553 HydrophobicContact CB-CE3 3.74Å; P530-W553 HydrophobicContact CB-CZ3 4.18Å; P530-W553 HydrophobicContact CG-CB 4.14Å; P530-W553 HydrophobicContact CG-CD2 3.88Å; P530-W553 HydrophobicContact CG-CE3 3.77Å; P530-W553 HydrophobicContact CG-CG 4.09Å; P530-W553 HydrophobicContact CG-CZ3 4.46Å
531	N	97.3	Very high	93.5	Very high	47 Å²	47	41.2 Å²	41.2	25%	0.251	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-2.4	177.2	-51.8	-81.9	0	0	0	113.9	D529 A552 W553	D529-N531 PolarHBondContact O-N 3.08Å; D529-N531 WeakPolarHBondContact OD1-CB 3.4Å; D529-N531 PolarHBondContact OD1-N 3.45Å; D529-N531 PolarHBondContact OD1-ND2 3.09Å; N531-A552 WeakPolarHBondContact OD1-CA 3.43Å; N531-W553 PolarHBondContact ND2-O 3.34Å; N531-W553 PolarHBondContact OD1-N 3.36Å
532	K	94.7	Very high	92.7	Very high	114 Å²	114	41.3 Å²	41.3	50%	0.496	22%	0.215	S	C	.	.	S	Bend	trans	-140.1	143.1	-171.4	-59.4	-169.2	-176.5	92.7	0	113.9	N523 T527 D529	N523-K532 CarbonylContact C-O 3.58Å; N523-K532 VanDerWaalsContact C-O 3.31Å; N523-K532 WeakPolarHBondContact CA-O 3.5Å; N523-K532 WeakPolarHBondContact CB-O 3.4Å; N523-K532 VanDerWaalsContact CG-O 3.27Å; N523-K532 VanDerWaalsContact OD1-C 3.27Å; N523-K532 PolarHBondContact OD1-O 2.67Å; T527-K532 HydrophobicContact CG2-CB 4.26Å; T527-K532 WeakPolarHBondContact CG2-O 3.32Å; T527-K532 PolarHBondContact OG1-O 3.42Å; D529-K532 HydrophobicContact CB-CB 4.4Å; D529-K532 HydrophobicContact CB-CG 4.43Å; D529-K532 PolarHBondContact O-N 2.98Å; D529-K532 IonicContact OD2-NZ 3.64Å; D529-K532 PolarHBondContact OD2-NZ 2.9Å
533	P	94.5	Very high	92.1	Very high	73 Å²	73	44.5 Å²	44.5	47%	0.474	24%	0.235	S	C	.	.	S	Bend	cis	-95.2	-4.1	6.1	37.8	-35.6	0	0	0	114.4	N523 K526 P535	N523-P533 WeakPolarHBondContact OD1-CD 3.28Å; K526-P533 HydrophobicContact CD-CG 4.08Å; P533-P535 WeakPolarHBondContact O-CD 3.21Å
534	V	92.7	Very high	91.6	Very high	22 Å²	22	49.6 Å²	49.6	13%	0.133	26%	0.257	C	S	.	.	S	Bend	trans	-96.3	113.1	-174.8	-172.6	0	0	0	0	110.2	T519 N523	T519-V534 HydrophobicContact CG2-CB 4.22Å; T519-V534 HydrophobicContact CG2-CG1 4.22Å; N523-V534 PolarHBondContact ND2-O 2.69Å; N523-V534 WeakPolarHBondContact OD1-CB 3.48Å; N523-V534 PolarHBondContact OD1-N 3.36Å
535	P	92.3	Very high	91	Very high	60 Å²	60	52.8 Å²	52.8	39%	0.39	28%	0.283	S	S	.	.			trans	-68	157.1	172.2	28.1	-33.7	0	0	0	111.8	P533 D537	P533-P535 WeakPolarHBondContact O-CD 3.21Å; P535-D537 WeakPolarHBondContact CB-OD1 3.4Å; P535-D537 WeakPolarHBondContact CG-OD1 3.4Å; P535-D537 PolarHBondContact O-N 2.78Å
536	Q	91.6	Very high	90.7	Very high	15 Å²	15	53.1 Å²	53.1	7%	0.07	29%	0.285	C	S	.	.			trans	-76.7	45.4	-177	-72.9	-71.8	-2.2	0	0	113.1	V516 Y520 N546 F548 E549	V516-Q536 PolarHBondContact O-NE2 3.25Å; Y520-Q536 VanDerWaalsContact CD2-NE2 3.32Å; Y520-Q536 HydrophobicContact CE1-CG 4.03Å; Y520-Q536 VanDerWaalsContact CE2-NE2 3.31Å; Q536-N546 VanDerWaalsContact O-CG 3.25Å; Q536-N546 PolarHBondContact O-ND2 3.39Å; Q536-N546 PolarHBondContact OE1-ND2 2.78Å; Q536-F548 HydrophobicContact CB-CB 4.24Å; Q536-F548 HydrophobicContact CG-CB 4.23Å; Q536-E549 WeakPolarHBondContact O-CG 3.39Å
537	D	87.5	Confident	90.5	Very high	67 Å²	67	57.5 Å²	57.5	36%	0.358	30%	0.301	S	S	.	.			trans	-70.3	145.1	-177.1	-36.2	-49.4	0	0	0	112.7	P535 K539 H542	P535-D537 WeakPolarHBondContact CB-OD1 3.4Å; P535-D537 WeakPolarHBondContact CG-OD1 3.4Å; P535-D537 PolarHBondContact O-N 2.78Å; D537-K539 HydrophobicContact CB-CG 4.47Å; D537-K539 PolarHBondContact O-N 3.39Å; D537-K539 VanDerWaalsContact O-N 3.17Å; D537-K539 WeakPolarHBondContact OD2-CE 3.29Å; D537-K539 IonicContact OD2-NZ 3.74Å; D537-H542 PolarHBondContact O-CE1 3.05Å
538	T	86.4	Confident	90.3	Very high	64 Å²	64	54.7 Å²	54.7	39%	0.393	28%	0.283	S	S	.	.			trans	-62	115.2	162.4	-63.1	0	0	0	0	111.4	A545 N546 E549	T538-A545 WeakPolarHBondContact OG1-CA 3.39Å; T538-N546 PolarHBondContact OG1-N 2.81Å; T538-E549 WeakPolarHBondContact CB-OE1 3.39Å; T538-E549 PolarHBondContact N-OE1 2.99Å; T538-E549 PolarHBondContact OG1-OE1 3.5Å
539	K	84.9	Confident	90	Very high	78 Å²	78	59.7 Å²	59.7	34%	0.339	31%	0.305	S	S	.	.			trans	-125.6	155.8	173	-59.3	165.7	-168.1	159	0	109.9	D537 I541 H542	D537-K539 HydrophobicContact CB-CG 4.47Å; D537-K539 PolarHBondContact O-N 3.39Å; D537-K539 VanDerWaalsContact O-N 3.17Å; D537-K539 WeakPolarHBondContact OD2-CE 3.29Å; D537-K539 IonicContact OD2-NZ 3.74Å; K539-I541 HydrophobicContact CB-CG2 4.11Å; K539-I541 PolarHBondContact O-N 2.96Å; K539-H542 PolarHBondContact N-ND1 3.46Å; K539-H542 VanDerWaalsContact N-ND1 3.14Å; K539-H542 WeakPolarHBondContact O-CB 3.31Å; K539-H542 PolarHBondContact O-N 3.26Å; K539-H542 PolarHBondContact O-ND1 2.93Å
540	F	77.8	Confident	89.5	Confident	194 Å²	194	67.8 Å²	67.8	85%	0.851	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-47.5	-39.4	-177.1	-69.5	-71.1	0	0	0	114.7	I62 H542 T543	I62-F540 HydrophobicContact CD1-CB 4.29Å; F540-H542 PolarHBondContact O-N 3.19Å; F540-H542 VanDerWaalsContact O-N 3.08Å; F540-T543 PolarHBondContact O-N 2.94Å
541	I	82.3	Confident	89.2	Confident	19 Å²	19	69 Å²	69	10%	0.097	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-53.3	-26.6	177.4	-168.7	60.9	0	0	0	114.6	I62 L63 Y187 M495 V511 K539 T543	I62-I541 HydrophobicContact CB-CD1 4.11Å; I62-I541 HydrophobicContact CD1-CB 4.49Å; I62-I541 HydrophobicContact CD1-CD1 4.28Å; I62-I541 HydrophobicContact CG2-CB 4.19Å; I62-I541 HydrophobicContact CG2-CD1 4.04Å; L63-I541 HydrophobicContact CD2-CD1 4.21Å; L63-I541 HydrophobicContact CG-CD1 4.31Å; Y187-I541 HydrophobicContact CD2-CG1 4.04Å; Y187-I541 HydrophobicContact CE2-CG1 3.88Å; Y187-I541 HydrophobicContact CE2-CG2 3.91Å; M495-I541 HydrophobicContact CE-CD1 4.48Å; M495-I541 HydrophobicContact CE-CG1 3.92Å; M495-I541 HydrophobicContact SD-CD1 3.89Å; M495-I541 HydrophobicContact SD-CG1 3.95Å; V511-I541 WeakPolarHBondContact CG1-O 3.45Å; K539-I541 HydrophobicContact CB-CG2 4.11Å; K539-I541 PolarHBondContact O-N 2.96Å; I541-T543 VanDerWaalsContact C-N 3.34Å; I541-T543 PolarHBondContact O-N 3.28Å
542	H	83.6	Confident	89.1	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.009	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-75.3	-21.4	179.2	-58.3	81.5	0	0	0	112.8	M512 A515 D537 K539 F540 K544 N546	M512-H542 HydrophobicContact CB-CB 4.28Å; M512-H542 HydrophobicContact CG-CB 4.23Å; M512-H542 PolarHBondContact N-O 3.02Å; A515-H542 WeakPolarHBondContact CB-CD2 3.18Å; D537-H542 PolarHBondContact O-CE1 3.05Å; K539-H542 PolarHBondContact N-ND1 3.46Å; K539-H542 VanDerWaalsContact N-ND1 3.14Å; K539-H542 WeakPolarHBondContact O-CB 3.31Å; K539-H542 PolarHBondContact O-N 3.26Å; K539-H542 PolarHBondContact O-ND1 2.93Å; F540-H542 PolarHBondContact O-N 3.19Å; F540-H542 VanDerWaalsContact O-N 3.08Å; H542-K544 VanDerWaalsContact CB-O 3.28Å; H542-K544 WeakPolarHBondContact CB-O 3.36Å; H542-K544 PolarHBondContact O-N 3.46Å; H542-N546 PolarHBondContact NE2-ND2 2.96Å
543	T	85.3	Confident	89.2	Confident	68 Å²	68	64.6 Å²	64.6	42%	0.417	34%	0.341	S	S	.	.	S	Bend	trans	58.1	-5.3	-173.1	78.8	0	0	0	0	117	K508 V511 F540 I541	K508-T543 WeakPolarHBondContact CB-OG1 3.39Å; K508-T543 PolarHBondContact O-OG1 3.24Å; V511-T543 HydrophobicContact CB-CG2 4.5Å; V511-T543 HydrophobicContact CG1-CG2 4Å; F540-T543 PolarHBondContact O-N 2.94Å; I541-T543 VanDerWaalsContact C-N 3.34Å; I541-T543 PolarHBondContact O-N 3.28Å
544	K	87.6	Confident	89.4	Confident	109 Å²	109	63.4 Å²	63.4	47%	0.474	33%	0.334	S	S	.	.	S	Bend	trans	-143.9	162.6	176.2	-80.3	-71.1	-173.3	177.4	0	108.9	K508 M512 H542 N546	K508-K544 HydrophobicContact CB-CG 3.85Å; K508-K544 WeakPolarHBondContact O-CG 3.41Å; M512-K544 HydrophobicContact CB-CB 4.16Å; M512-K544 HydrophobicContact CG-CB 4.31Å; H542-K544 VanDerWaalsContact CB-O 3.28Å; H542-K544 WeakPolarHBondContact CB-O 3.36Å; H542-K544 PolarHBondContact O-N 3.46Å; K544-N546 PolarHBondContact O-N 3.5Å
545	A	86.6	Confident	89.6	Confident	67 Å²	67	67.3 Å²	67.3	55%	0.554	35%	0.349	S	S	*	.			trans	-59.2	133.4	168.8	0	0	0	0	0	110.6	T538 R547	T538-A545 WeakPolarHBondContact OG1-CA 3.39Å; A545-R547 PolarHBondContact O-N 3.32Å
546	N	92.1	Very high	89.9	Confident	6 Å²	6	65 Å²	65	3%	0.032	33%	0.333	C	S	.	.			trans	-70.9	123.4	176.6	-173.2	-22.4	0	0	0	108.9	V516 Q536 T538 H542 K544 F548 E549	V516-N546 WeakPolarHBondContact CG2-ND2 3.48Å; V516-N546 WeakPolarHBondContact CG2-OD1 3.48Å; Q536-N546 VanDerWaalsContact O-CG 3.25Å; Q536-N546 PolarHBondContact O-ND2 3.39Å; Q536-N546 PolarHBondContact OE1-ND2 2.78Å; T538-N546 PolarHBondContact OG1-N 2.81Å; H542-N546 PolarHBondContact NE2-ND2 2.96Å; K544-N546 PolarHBondContact O-N 3.5Å; N546-F548 PolarHBondContact O-N 3.43Å; N546-F548 WeakPolarHBondContact OD1-CB 3.44Å; N546-F548 PolarHBondContact OD1-N 3.39Å; N546-E549 HydrophobicContact CB-CG 4.21Å
547	R	92.3	Very high	90.1	Very high	112 Å²	112	66.5 Å²	66.5	42%	0.423	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-3.1	-177.5	-56.6	-173.1	-167.3	-159.3	3.4	113.3	N509 M512 A545 L568 P570	N509-R547 PolarHBondContact OD1-NH2 2.66Å; M512-R547 HydrophobicContact CE-CG 4.02Å; M512-R547 HydrophobicContact SD-CG 4.39Å; A545-R547 PolarHBondContact O-N 3.32Å; R547-L568 VanDerWaalsContact CD-O 3.25Å; R547-L568 WeakPolarHBondContact CD-O 3.31Å; R547-L568 PolarHBondContact NH1-O 3.29Å; R547-P570 HydrophobicContact CB-CG 3.82Å; R547-P570 WeakPolarHBondContact O-CG 3.16Å
548	F	94.4	Very high	90.5	Very high	1 Å²	1	66 Å²	66	0%	0.004	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	6.9	-174.4	-62.3	-114	0	0	0	112.7	L513 V516 Y520 Q536 N546 E550 V551 L564 I566 P570	L513-F548 HydrophobicContact CD1-CE2 3.76Å; L513-F548 HydrophobicContact CD1-CZ 3.65Å; V516-F548 HydrophobicContact CB-CD2 4.14Å; V516-F548 HydrophobicContact CB-CE2 4.24Å; V516-F548 HydrophobicContact CG1-CB 4.18Å; V516-F548 HydrophobicContact CG1-CD1 3.71Å; V516-F548 HydrophobicContact CG1-CD2 3.58Å; V516-F548 HydrophobicContact CG1-CE1 3.78Å; V516-F548 HydrophobicContact CG1-CE2 3.69Å; V516-F548 HydrophobicContact CG1-CG 3.58Å; V516-F548 HydrophobicContact CG1-CZ 3.76Å; V516-F548 HydrophobicContact CG2-CB 4.38Å; V516-F548 HydrophobicContact CG2-CD2 3.59Å; V516-F548 HydrophobicContact CG2-CE2 4.04Å; V516-F548 HydrophobicContact CG2-CG 4.15Å; Y520-F548 AromaticContact CE2-CD1 3.7Å; Y520-F548 HydrophobicContact CE2-CD1 3.7Å; Y520-F548 HydrophobicContact CE2-CE1 4.07Å; Y520-F548 HydrophobicContact CE2-CG 4.43Å; Y520-F548 WeakPolarHBondContact OH-CD1 3.46Å; Q536-F548 HydrophobicContact CB-CB 4.24Å; Q536-F548 HydrophobicContact CG-CB 4.23Å; N546-F548 PolarHBondContact O-N 3.43Å; N546-F548 WeakPolarHBondContact OD1-CB 3.44Å; N546-F548 PolarHBondContact OD1-N 3.39Å; F548-E550 PolarHBondContact O-N 3.46Å; F548-V551 HydrophobicContact CB-CB 4.22Å; F548-V551 HydrophobicContact CD1-CB 4.41Å; F548-V551 HydrophobicContact CD1-CG1 4.42Å; F548-V551 PolarHBondContact O-N 3.02Å; F548-L564 HydrophobicContact CE1-CD2 4.47Å; F548-I566 HydrophobicContact CZ-CG2 4.34Å; F548-P570 HydrophobicContact CD1-CB 3.45Å; F548-P570 VanDerWaalsContact CD1-CB 3.45Å; F548-P570 HydrophobicContact CD1-CG 4.02Å; F548-P570 HydrophobicContact CD2-CB 4Å; F548-P570 HydrophobicContact CD2-CG 3.75Å; F548-P570 HydrophobicContact CE1-CB 3.27Å; F548-P570 HydrophobicContact CE1-CG 4.12Å; F548-P570 HydrophobicContact CE2-CB 3.8Å; F548-P570 HydrophobicContact CE2-CG 3.81Å; F548-P570 HydrophobicContact CG-CB 3.86Å; F548-P570 HydrophobicContact CG-CG 3.87Å; F548-P570 HydrophobicContact CZ-CB 3.46Å; F548-P570 VanDerWaalsContact CZ-CB 3.46Å; F548-P570 HydrophobicContact CZ-CG 4.03Å
549	E	90.1	Very high	90.9	Very high	110 Å²	110	72.8 Å²	72.8	51%	0.514	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-41	178.9	-77.9	177.1	171.7	0	0	113.2	Q536 T538 N546	Q536-E549 WeakPolarHBondContact O-CG 3.39Å; T538-E549 WeakPolarHBondContact CB-OE1 3.39Å; T538-E549 PolarHBondContact N-OE1 2.99Å; T538-E549 PolarHBondContact OG1-OE1 3.5Å; N546-E549 HydrophobicContact CB-CG 4.21Å
550	E	86.8	Confident	91.5	Very high	196 Å²	196	72.3 Å²	72.3	92%	0.916	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	6.2	178.1	-58.7	-174.2	153.3	0	0	113.4	F548	F548-E550 PolarHBondContact O-N 3.46Å
551	V	92.6	Very high	92.5	Very high	25 Å²	25	64.3 Å²	64.3	15%	0.152	33%	0.326	C	S	.	.			trans	-105.4	88	-171.4	-173	0	0	0	0	111.3	Y520 F548 L564 P570	Y520-V551 PolarHBondContact OH-O 2.9Å; F548-V551 HydrophobicContact CB-CB 4.22Å; F548-V551 HydrophobicContact CD1-CB 4.41Å; F548-V551 HydrophobicContact CD1-CG1 4.42Å; F548-V551 PolarHBondContact O-N 3.02Å; V551-L564 HydrophobicContact CG1-CD1 3.58Å; V551-P570 HydrophobicContact CG2-CB 4.35Å; V551-P570 HydrophobicContact CG2-CG 4.25Å
552	A	94.3	Very high	93.3	Very high	66 Å²	66	65.5 Å²	65.5	55%	0.545	33%	0.333	S	S	.	.			trans	-72.5	129.7	167.2	0	0	0	0	0	110.9	N531 S554 V572	N531-A552 WeakPolarHBondContact OD1-CA 3.43Å; A552-S554 PolarHBondContact O-N 2.99Å; A552-V572 WeakPolarHBondContact O-CG2 3.32Å
553	W	97.8	Very high	94	Very high	3 Å²	3	66.2 Å²	66.2	1%	0.011	34%	0.336	C	S	.	.			trans	-82.1	102.5	174.5	-170	-12.3	0	0	0	109.3	M362 Y462 F463 Y464 Y520 W521 P530 N531 L564	M362-W553 HydrophobicContact CE-CE3 4.41Å; M362-W553 HydrophobicContact CE-CH2 3.64Å; M362-W553 HydrophobicContact CE-CZ2 4.45Å; M362-W553 HydrophobicContact CE-CZ3 3.62Å; M362-W553 HydrophobicContact CG-CH2 3.72Å; M362-W553 HydrophobicContact CG-CZ2 4.07Å; M362-W553 HydrophobicContact SD-CH2 3.51Å; M362-W553 VanDerWaalsContact SD-CH2 3.51Å; M362-W553 HydrophobicContact SD-CZ2 4.42Å; M362-W553 HydrophobicContact SD-CZ3 3.97Å; Y462-W553 AromaticContact CD1-CD1 3.99Å; Y462-W553 HydrophobicContact CD1-CG 4.25Å; F463-W553 PolarHBondContact O-NE1 3.4Å; Y464-W553 AromaticContact CD1-CH2 3.97Å; Y464-W553 HydrophobicContact CD1-CH2 3.97Å; Y464-W553 HydrophobicContact CD1-CZ2 4.19Å; Y464-W553 HydrophobicContact CG-CH2 4.33Å; Y464-W553 HydrophobicContact CG-CZ2 4.43Å; Y520-W553 AromaticContact CD1-CE3 3.91Å; Y520-W553 HydrophobicContact CD1-CE3 3.91Å; Y520-W553 HydrophobicContact CD2-CE3 4.24Å; Y520-W553 HydrophobicContact CD2-CZ3 4.42Å; Y520-W553 HydrophobicContact CE1-CB 4.3Å; Y520-W553 HydrophobicContact CE1-CE3 4.34Å; Y520-W553 AromaticContact CG-CE3 3.86Å; Y520-W553 HydrophobicContact CG-CE3 3.86Å; Y520-W553 HydrophobicContact CG-CZ3 4.1Å; W521-W553 HydrophobicContact CZ3-CH2 4.16Å; W521-W553 HydrophobicContact CZ3-CZ3 4.02Å; P530-W553 HydrophobicContact CB-CD2 4.38Å; P530-W553 HydrophobicContact CB-CE3 3.74Å; P530-W553 HydrophobicContact CB-CZ3 4.18Å; P530-W553 HydrophobicContact CG-CB 4.14Å; P530-W553 HydrophobicContact CG-CD2 3.88Å; P530-W553 HydrophobicContact CG-CE3 3.77Å; P530-W553 HydrophobicContact CG-CG 4.09Å; P530-W553 HydrophobicContact CG-CZ3 4.46Å; N531-W553 PolarHBondContact ND2-O 3.34Å; N531-W553 PolarHBondContact OD1-N 3.36Å; W553-L564 HydrophobicContact CB-CD2 4.24Å; W553-L564 HydrophobicContact CD2-CB 3.83Å; W553-L564 HydrophobicContact CD2-CD2 3.64Å; W553-L564 HydrophobicContact CD2-CG 4.38Å; W553-L564 HydrophobicContact CE3-CB 4.49Å; W553-L564 HydrophobicContact CE3-CD2 3.52Å; W553-L564 HydrophobicContact CG-CB 3.84Å; W553-L564 HydrophobicContact CG-CD2 3.96Å; W553-L564 HydrophobicContact CG-CG 4.46Å; W553-L564 HydrophobicContact CZ2-CB 4.46Å; W553-L564 HydrophobicContact CZ3-CD2 4.12Å
554	S	97.8	Very high	94.6	Very high	47 Å²	47	63 Å²	63	33%	0.329	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-63.9	149.2	175.1	-61.5	0	0	0	0	112.5	A552	A552-S554 PolarHBondContact O-N 2.99Å
555	K	97.9	Very high	95.1	Very high	104 Å²	104	58.4 Å²	58.4	45%	0.452	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-63.3	139.5	169.1	-73.8	-171.1	172.9	-165.3	0	110.9	T461 Y462	T461-K555 WeakPolarHBondContact O-CA 3.33Å; Y462-K555 HydrophobicContact CD1-CG 4.33Å; Y462-K555 HydrophobicContact CE1-CB 4.44Å; Y462-K555 HydrophobicContact CE1-CG 3.61Å; Y462-K555 HydrophobicContact CE2-CG 4.11Å; Y462-K555 VanDerWaalsContact CZ-CG 3.5Å; Y462-K555 WeakPolarHBondContact OH-CE 3.45Å
556	Y	98.4	Very high	95.7	Very high	12 Å²	12	55.2 Å²	55.2	5%	0.047	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-71.9	145.8	167.5	-175.8	-89.5	0	0	0	110	A451 D452 A455 T461 F463 Q561 L562	A451-Y556 HydrophobicContact CB-CD1 3.9Å; A451-Y556 HydrophobicContact CB-CE1 3.6Å; A451-Y556 HydrophobicContact CB-CE2 4.45Å; A451-Y556 HydrophobicContact CB-CG 4.48Å; D452-Y556 PolarHBondContact OD1-OH 3.38Å; A455-Y556 HydrophobicContact CB-CD1 3.91Å; A455-Y556 HydrophobicContact CB-CE1 4.4Å; T461-Y556 HydrophobicContact CG2-CD1 4.05Å; T461-Y556 HydrophobicContact CG2-CG 4.36Å; T461-Y556 PolarHBondContact O-N 3.44Å; F463-Y556 HydrophobicContact CB-CD2 3.54Å; F463-Y556 HydrophobicContact CB-CE2 4.23Å; F463-Y556 HydrophobicContact CB-CG 4.07Å; F463-Y556 HydrophobicContact CG-CD2 4.23Å; F463-Y556 HydrophobicContact CG-CE2 4.46Å; Y556-Q561 HydrophobicContact CE2-CB 3.81Å; Y556-Q561 HydrophobicContact CE2-CG 4.12Å; Y556-Q561 WeakPolarHBondContact OH-CG 3.34Å; Y556-Q561 PolarHBondContact OH-NE2 3.03Å; Y556-Q561 VanDerWaalsContact OH-NE2 3.14Å; Y556-L562 WeakPolarHBondContact CD2-O 3.45Å
557	N	96.9	Very high	95.9	Very high	47 Å²	47	55 Å²	55	25%	0.251	27%	0.268	S	S	.	.			trans	-152.5	157.7	166.1	75	73.1	0	0	0	109.8	R559 D560 Q561	N557-R559 PolarHBondContact O-N 3.46Å; N557-R559 WeakPolarHBondContact OD1-CA 3.47Å; N557-R559 WeakPolarHBondContact OD1-CB 3.45Å; N557-R559 PolarHBondContact OD1-N 3.42Å; N557-D560 PolarHBondContact ND2-OD2 2.93Å; N557-D560 PolarHBondContact OD1-N 2.98Å; N557-D560 PolarHBondContact OD1-OD2 3.49Å; N557-Q561 VanDerWaalsContact O-CA 3.29Å; N557-Q561 WeakPolarHBondContact O-CA 3.42Å; N557-Q561 PolarHBondContact O-N 3.42Å
558	P	95.3	Very high	96	Very high	55 Å²	55	52 Å²	52	36%	0.357	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-3.7	-171.5	-18.3	33.3	0	0	0	115.4	D452 A455 R456	D452-P558 WeakPolarHBondContact O-CG 3.31Å; A455-P558 HydrophobicContact CB-CG 4.13Å; R456-P558 HydrophobicContact CB-CG 4.36Å
559	R	95.3	Very high	96	Very high	208 Å²	208	59.7 Å²	59.7	79%	0.785	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-43.5	179.1	177.3	-168.6	175.1	-177.5	-1.1	112.4	N557	N557-R559 PolarHBondContact O-N 3.46Å; N557-R559 WeakPolarHBondContact OD1-CA 3.47Å; N557-R559 WeakPolarHBondContact OD1-CB 3.45Å; N557-R559 PolarHBondContact OD1-N 3.42Å
560	D	97.2	Very high	96.2	Very high	68 Å²	68	55.5 Å²	55.5	36%	0.364	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-16.4	-176.3	-48.1	-48.1	0	0	0	112.1	N557 L562 D574	N557-D560 PolarHBondContact ND2-OD2 2.93Å; N557-D560 PolarHBondContact OD1-N 2.98Å; N557-D560 PolarHBondContact OD1-OD2 3.49Å; D560-L562 HydrophobicContact CB-CD1 4.44Å; D560-L562 HydrophobicContact CB-CD2 4.33Å; D560-L562 HydrophobicContact CB-CG 3.92Å; D560-L562 PolarHBondContact O-N 3.21Å; D560-D574 WeakPolarHBondContact O-CB 3.42Å
561	Q	97.8	Very high	96.6	Very high	25 Å²	25	50 Å²	50	12%	0.117	25%	0.247	C	C	.	.			trans	42.2	42.4	177.8	-62.9	-164.9	-33.1	0	0	114.5	D452 Y556 N557 D574 H575	D452-Q561 PolarHBondContact OD1-NE2 3.23Å; D452-Q561 PolarHBondContact OD2-NE2 3.45Å; Y556-Q561 HydrophobicContact CE2-CB 3.81Å; Y556-Q561 HydrophobicContact CE2-CG 4.12Å; Y556-Q561 WeakPolarHBondContact OH-CG 3.34Å; Y556-Q561 PolarHBondContact OH-NE2 3.03Å; Y556-Q561 VanDerWaalsContact OH-NE2 3.14Å; N557-Q561 VanDerWaalsContact O-CA 3.29Å; N557-Q561 WeakPolarHBondContact O-CA 3.42Å; N557-Q561 PolarHBondContact O-N 3.42Å; Q561-D574 WeakPolarHBondContact O-CA 3.27Å; Q561-H575 PolarHBondContact O-N 3.09Å; Q561-H575 VanDerWaalsContact O-N 3.13Å; Q561-H575 PolarHBondContact OE1-CD2 2.94Å
562	L	98.6	Very high	96.9	Very high	45 Å²	45	50.7 Å²	50.7	24%	0.236	25%	0.251	C	S	.	.			trans	-71.1	129.7	-175.5	-60.5	-178.4	0	0	0	112.1	Y556 D560 V572 R573 D574	Y556-L562 WeakPolarHBondContact CD2-O 3.45Å; D560-L562 HydrophobicContact CB-CD1 4.44Å; D560-L562 HydrophobicContact CB-CD2 4.33Å; D560-L562 HydrophobicContact CB-CG 3.92Å; D560-L562 PolarHBondContact O-N 3.21Å; L562-V572 HydrophobicContact CB-CG1 4.25Å; L562-V572 HydrophobicContact CD2-CG1 4.27Å; L562-R573 CarbonylContact C-O 3Å; L562-R573 WeakPolarHBondContact CA-O 3.42Å; L562-D574 HydrophobicContact CD2-CB 3.96Å
563	Y	98.6	Very high	97	Very high	17 Å²	17	52.8 Å²	52.8	7%	0.067	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	155.4	177	74.4	-80.7	0	0	0	112.7	F463 A465 H565 V572 R573 Y576	F463-Y563 HydrophobicContact CD1-CG 4.49Å; F463-Y563 VanDerWaalsContact O-CA 3.26Å; F463-Y563 WeakPolarHBondContact O-CA 3.32Å; F463-Y563 WeakPolarHBondContact O-CB 3.36Å; A465-Y563 HydrophobicContact CB-CD2 3.84Å; A465-Y563 HydrophobicContact CB-CE2 3.75Å; Y563-H565 HydrophobicContact CE2-CB 4.24Å; Y563-V572 WeakPolarHBondContact O-CA 3.35Å; Y563-R573 VanDerWaalsContact CD1-C 3.5Å; Y563-R573 HydrophobicContact CD1-CB 3.96Å; Y563-R573 VanDerWaalsContact CD1-O 3.31Å; Y563-R573 WeakPolarHBondContact CD1-O 3.39Å; Y563-R573 HydrophobicContact CE1-CB 3.28Å; Y563-R573 HydrophobicContact CE2-CB 4.07Å; Y563-R573 PolarHBondContact N-O 3.47Å; Y563-R573 PolarHBondContact O-N 3.4Å; Y563-Y576 HydrophobicContact CE1-CD2 4.19Å; Y563-Y576 HydrophobicContact CE1-CG 4.32Å; Y563-Y576 AromaticContact CE2-CD2 3.83Å; Y563-Y576 HydrophobicContact CE2-CD2 3.83Å; Y563-Y576 HydrophobicContact CE2-CG 4.32Å; Y563-Y576 AromaticContact CZ-CD2 3.6Å
564	L	98.7	Very high	97	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	118.9	170.4	-179.1	62.1	0	0	0	110.3	F463 Y464 A465 Y520 F548 V551 W553 I566	F463-L564 PolarHBondContact O-N 3.28Å; Y464-L564 WeakPolarHBondContact CA-O 3.31Å; A465-L564 PolarHBondContact N-O 3.31Å; Y520-L564 HydrophobicContact CD2-CD2 4.17Å; Y520-L564 HydrophobicContact CE2-CD2 3.63Å; F548-L564 HydrophobicContact CE1-CD2 4.47Å; V551-L564 HydrophobicContact CG1-CD1 3.58Å; W553-L564 HydrophobicContact CB-CD2 4.24Å; W553-L564 HydrophobicContact CD2-CB 3.83Å; W553-L564 HydrophobicContact CD2-CD2 3.64Å; W553-L564 HydrophobicContact CD2-CG 4.38Å; W553-L564 HydrophobicContact CE3-CB 4.49Å; W553-L564 HydrophobicContact CE3-CD2 3.52Å; W553-L564 HydrophobicContact CG-CB 3.84Å; W553-L564 HydrophobicContact CG-CD2 3.96Å; W553-L564 HydrophobicContact CG-CG 4.46Å; W553-L564 HydrophobicContact CZ2-CB 4.46Å; W553-L564 HydrophobicContact CZ3-CD2 4.12Å; L564-I566 HydrophobicContact CB-CG1 4.45Å; L564-I566 HydrophobicContact CD2-CD1 4.23Å; L564-I566 HydrophobicContact CD2-CG1 3.75Å; L564-I566 HydrophobicContact CG-CG1 3.77Å; L564-I566 PolarHBondContact O-N 3.19Å
565	H	98.3	Very high	97	Very high	13 Å²	13	58.2 Å²	58.2	6%	0.06	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	101.4	165.6	171	-55.3	0	0	0	108.5	Y467 Y563 R571	Y467-H565 VanDerWaalsContact CB-CE1 3.47Å; Y467-H565 WeakPolarHBondContact CB-CE1 3.41Å; Y467-H565 AromaticContact CD1-NE2 3.7Å; Y467-H565 AromaticContact CD2-CD2 3.47Å; Y467-H565 VanDerWaalsContact CD2-CD2 3.47Å; Y467-H565 WeakPolarHBondContact CD2-CD2 3.3Å; Y467-H565 AromaticContact CD2-CG 3.91Å; Y467-H565 AromaticContact CD2-NE2 3.69Å; Y467-H565 AromaticContact CE2-CD2 3.59Å; Y467-H565 AromaticContact CG-CD2 3.75Å; Y467-H565 AromaticContact CG-CE1 3.78Å; Y467-H565 AromaticContact CG-NE2 3.43Å; Y467-H565 AromaticContact CZ-CD2 3.97Å; Y563-H565 HydrophobicContact CE2-CB 4.24Å; H565-R571 HydrophobicContact CB-CG 4.14Å; H565-R571 WeakPolarHBondContact CB-O 3.35Å; H565-R571 PolarHBondContact CD2-NH1 3.01Å; H565-R571 PolarHBondContact CD2-NH2 2.99Å; H565-R571 PolarHBondContact CE1-NH1 2.89Å; H565-R571 PolarHBondContact N-O 3.01Å; H565-R571 PolarHBondContact ND1-NH1 3.19Å; H565-R571 PolarHBondContact NE2-NH1 2.88Å; H565-R571 PolarHBondContact NE2-NH2 2.88Å; H565-R571 VanDerWaalsContact NE2-NH2 3.13Å
566	I	98.3	Very high	97	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	123.9	178.9	-59.2	178.2	0	0	0	109.3	Y464 A465 F466 Y467 L513 V517 W521 F548 L564	Y464-I566 HydrophobicContact CD2-CD1 4.01Å; Y464-I566 HydrophobicContact CG-CD1 3.87Å; A465-I566 PolarHBondContact O-N 3.41Å; F466-I566 HydrophobicContact CD2-CB 3.81Å; F466-I566 HydrophobicContact CD2-CD1 4.37Å; F466-I566 HydrophobicContact CD2-CG2 3.56Å; F466-I566 HydrophobicContact CE2-CB 4.3Å; F466-I566 HydrophobicContact CE2-CG2 3.52Å; Y467-I566 PolarHBondContact N-O 2.93Å; L513-I566 HydrophobicContact CD1-CG2 3.9Å; V517-I566 HydrophobicContact CG2-CG2 4.11Å; W521-I566 HydrophobicContact CH2-CD1 4.02Å; W521-I566 HydrophobicContact CZ3-CD1 3.95Å; F548-I566 HydrophobicContact CZ-CG2 4.34Å; L564-I566 HydrophobicContact CB-CG1 4.45Å; L564-I566 HydrophobicContact CD2-CD1 4.23Å; L564-I566 HydrophobicContact CD2-CG1 3.75Å; L564-I566 HydrophobicContact CG-CG1 3.77Å; L564-I566 PolarHBondContact O-N 3.19Å
567	G	96.1	Very high	96.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	159.1	-170.2	177.9	0	0	0	0	0	112	K569 P570	G567-K569 PolarHBondContact O-N 3.48Å; G567-P570 WeakPolarHBondContact O-CD 3.18Å
568	L	94.6	Very high	96.8	Very high	49 Å²	49	53.6 Å²	53.6	26%	0.257	25%	0.25	S	S	.	.	S	Bend	trans	-71.7	-3.2	-171.1	-54.8	-171.4	0	0	0	115.9	H468 N509 M512 R547	H468-L568 WeakPolarHBondContact ND1-CG 3.49Å; N509-L568 HydrophobicContact CB-CD1 4.2Å; N509-L568 HydrophobicContact CB-CD2 3.81Å; M512-L568 HydrophobicContact CE-CD2 4.26Å; R547-L568 VanDerWaalsContact CD-O 3.25Å; R547-L568 WeakPolarHBondContact CD-O 3.31Å; R547-L568 PolarHBondContact NH1-O 3.29Å
569	K	94.6	Very high	96.9	Very high	163 Å²	163	55.2 Å²	55.2	71%	0.709	26%	0.26	S	S	*	.	S	Bend	trans	-130.5	65.7	172.2	-66.9	179.9	-178.3	173.5	0	109.1	G567 R571	G567-K569 PolarHBondContact O-N 3.48Å; K569-R571 PolarHBondContact O-NH1 3.31Å
570	P	94.4	Very high	97	Very high	22 Å²	22	46.5 Å²	46.5	14%	0.143	23%	0.227	C	C	.	.			trans	-69.3	147.4	-169.5	32.3	-37.2	0	0	0	111.6	R547 F548 V551 G567	R547-P570 HydrophobicContact CB-CG 3.82Å; R547-P570 WeakPolarHBondContact O-CG 3.16Å; F548-P570 HydrophobicContact CD1-CB 3.45Å; F548-P570 VanDerWaalsContact CD1-CB 3.45Å; F548-P570 HydrophobicContact CD1-CG 4.02Å; F548-P570 HydrophobicContact CD2-CB 4Å; F548-P570 HydrophobicContact CD2-CG 3.75Å; F548-P570 HydrophobicContact CE1-CB 3.27Å; F548-P570 HydrophobicContact CE1-CG 4.12Å; F548-P570 HydrophobicContact CE2-CB 3.8Å; F548-P570 HydrophobicContact CE2-CG 3.81Å; F548-P570 HydrophobicContact CG-CB 3.86Å; F548-P570 HydrophobicContact CG-CG 3.87Å; F548-P570 HydrophobicContact CZ-CB 3.46Å; F548-P570 VanDerWaalsContact CZ-CB 3.46Å; F548-P570 HydrophobicContact CZ-CG 4.03Å; V551-P570 HydrophobicContact CG2-CB 4.35Å; V551-P570 HydrophobicContact CG2-CG 4.25Å; G567-P570 WeakPolarHBondContact O-CD 3.18Å
571	R	95.9	Very high	97	Very high	80 Å²	80	43.6 Å²	43.6	30%	0.302	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	148.5	-176.1	54	-159	-166.8	-78.3	-5	109.9	H565 K569 R573	H565-R571 HydrophobicContact CB-CG 4.14Å; H565-R571 WeakPolarHBondContact CB-O 3.35Å; H565-R571 PolarHBondContact CD2-NH1 3.01Å; H565-R571 PolarHBondContact CD2-NH2 2.99Å; H565-R571 PolarHBondContact CE1-NH1 2.89Å; H565-R571 PolarHBondContact N-O 3.01Å; H565-R571 PolarHBondContact ND1-NH1 3.19Å; H565-R571 PolarHBondContact NE2-NH1 2.88Å; H565-R571 PolarHBondContact NE2-NH2 2.88Å; H565-R571 VanDerWaalsContact NE2-NH2 3.13Å; K569-R571 PolarHBondContact O-NH1 3.31Å; R571-R573 HydrophobicContact CG-CG 4.24Å
572	V	97.3	Very high	96.9	Very high	41 Å²	41	44.5 Å²	44.5	25%	0.248	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	142.5	161.2	179.8	0	0	0	0	108.9	A552 L562 Y563	A552-V572 WeakPolarHBondContact O-CG2 3.32Å; L562-V572 HydrophobicContact CB-CG1 4.25Å; L562-V572 HydrophobicContact CD2-CG1 4.27Å; Y563-V572 WeakPolarHBondContact O-CA 3.35Å
573	R	97.3	Very high	96.8	Very high	110 Å²	110	42.7 Å²	42.7	42%	0.415	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	172.1	172.5	-80.3	-68	175.5	-84.4	13.9	109.1	L562 Y563 R571	L562-R573 CarbonylContact C-O 3Å; L562-R573 WeakPolarHBondContact CA-O 3.42Å; Y563-R573 VanDerWaalsContact CD1-C 3.5Å; Y563-R573 HydrophobicContact CD1-CB 3.96Å; Y563-R573 VanDerWaalsContact CD1-O 3.31Å; Y563-R573 WeakPolarHBondContact CD1-O 3.39Å; Y563-R573 HydrophobicContact CE1-CB 3.28Å; Y563-R573 HydrophobicContact CE2-CB 4.07Å; Y563-R573 PolarHBondContact N-O 3.47Å; Y563-R573 PolarHBondContact O-N 3.4Å; R571-R573 HydrophobicContact CG-CG 4.24Å
574	D	97.6	Very high	96.7	Very high	87 Å²	87	42.3 Å²	42.3	47%	0.465	21%	0.212	S	C	.	.	S	Bend	trans	-126.6	158.4	-175.7	60.9	-68.9	0	0	0	110.5	D560 Q561 L562 Y576	D560-D574 WeakPolarHBondContact O-CB 3.42Å; Q561-D574 WeakPolarHBondContact O-CA 3.27Å; L562-D574 HydrophobicContact CD2-CB 3.96Å; D574-Y576 PolarHBondContact O-N 2.89Å
575	H	97.9	Very high	96.5	Very high	77 Å²	77	44.4 Å²	44.4	36%	0.356	22%	0.222	S	C	.	.	S	Bend	trans	52.6	49.9	168.9	-59.2	97.7	0	0	0	114.6	Q561 R577 A578	Q561-H575 PolarHBondContact O-N 3.09Å; Q561-H575 VanDerWaalsContact O-N 3.13Å; Q561-H575 PolarHBondContact OE1-CD2 2.94Å; H575-R577 PolarHBondContact O-N 3.48Å; H575-A578 HydrophobicContact CB-CB 3.8Å; H575-A578 WeakPolarHBondContact O-CB 3.43Å; H575-A578 PolarHBondContact O-N 3.41Å
576	Y	97.8	Very high	96.2	Very high	8 Å²	8	49.5 Å²	49.5	3%	0.031	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	110.5	-176.6	-177.8	-122.8	0	0	0	111.9	V365 V444 F463 A465 Y467 Y563 D574 A578	V365-Y576 HydrophobicContact CG2-CD1 4.37Å; V365-Y576 HydrophobicContact CG2-CE1 3.52Å; V444-Y576 HydrophobicContact CB-CE1 4.49Å; V444-Y576 HydrophobicContact CG1-CD1 3.73Å; V444-Y576 HydrophobicContact CG1-CE1 3.59Å; V444-Y576 HydrophobicContact CG2-CE1 4.09Å; F463-Y576 AromaticContact CE1-CD1 3.93Å; F463-Y576 HydrophobicContact CE1-CD1 3.93Å; A465-Y576 HydrophobicContact CB-CD1 4.5Å; A465-Y576 HydrophobicContact CB-CD2 4.1Å; A465-Y576 HydrophobicContact CB-CE1 4.17Å; A465-Y576 HydrophobicContact CB-CE2 3.75Å; A465-Y576 HydrophobicContact CB-CG 4.46Å; Y467-Y576 HydrophobicContact CE2-CE2 4.13Å; Y467-Y576 WeakPolarHBondContact OH-CE2 3.4Å; Y563-Y576 HydrophobicContact CE1-CD2 4.19Å; Y563-Y576 HydrophobicContact CE1-CG 4.32Å; Y563-Y576 AromaticContact CE2-CD2 3.83Å; Y563-Y576 HydrophobicContact CE2-CD2 3.83Å; Y563-Y576 HydrophobicContact CE2-CG 4.32Å; Y563-Y576 AromaticContact CZ-CD2 3.6Å; D574-Y576 PolarHBondContact O-N 2.89Å; Y576-A578 PolarHBondContact O-N 3.31Å
577	R	96.7	Very high	96	Very high	28 Å²	28	52.9 Å²	52.9	11%	0.106	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	52	28.2	178.8	-57.5	178.7	62.3	68.3	6.6	113.5	D440 H575 T579 K580 V581 P760 D761	D440-R577 VanDerWaalsContact CG-NH2 3.35Å; D440-R577 IonicContact OD1-CZ 3.25Å; D440-R577 IonicContact OD1-NE 2.81Å; D440-R577 PolarHBondContact OD1-NE 3.32Å; D440-R577 IonicContact OD1-NH2 3.68Å; D440-R577 PolarHBondContact OD1-NH2 3.33Å; D440-R577 VanDerWaalsContact OD1-NH2 3.15Å; D440-R577 IonicContact OD2-CZ 2.7Å; D440-R577 IonicContact OD2-NE 3.73Å; D440-R577 IonicContact OD2-NH2 2.65Å; D440-R577 PolarHBondContact OD2-NH2 3.36Å; H575-R577 PolarHBondContact O-N 3.48Å; R577-T579 VanDerWaalsContact C-N 3.25Å; R577-T579 PolarHBondContact O-N 3.45Å; R577-K580 WeakPolarHBondContact O-CA 3.02Å; R577-K580 WeakPolarHBondContact O-CB 3.33Å; R577-K580 PolarHBondContact O-N 2.96Å; R577-V581 PolarHBondContact O-N 3.3Å; R577-V581 VanDerWaalsContact O-N 3.17Å; R577-P760 VanDerWaalsContact NH1-C 3.29Å; R577-P760 PolarHBondContact NH1-O 2.88Å; R577-P760 VanDerWaalsContact NH1-O 3.07Å; R577-D761 WeakPolarHBondContact CD-OD1 2.91Å; R577-D761 VanDerWaalsContact CG-OD1 3.28Å; R577-D761 WeakPolarHBondContact CG-OD1 3.2Å; R577-D761 IonicContact CZ-OD1 3.95Å; R577-D761 IonicContact NE-OD1 2.68Å; R577-D761 IonicContact NH1-OD1 3.97Å; R577-D761 PolarHBondContact NH1-OD1 2.93Å
578	A	95.8	Very high	95.8	Very high	29 Å²	29	53 Å²	53	24%	0.24	26%	0.263	C	S	.	.	H	α-helix	trans	-55.5	-30.8	-165.2	0	0	0	0	0	115.2	H575 Y576 K580 V581 A582	H575-A578 HydrophobicContact CB-CB 3.8Å; H575-A578 WeakPolarHBondContact O-CB 3.43Å; H575-A578 PolarHBondContact O-N 3.41Å; Y576-A578 PolarHBondContact O-N 3.31Å; A578-K580 VanDerWaalsContact C-N 3.31Å; A578-K580 PolarHBondContact O-N 2.86Å; A578-V581 PolarHBondContact O-N 2.86Å; A578-A582 VanDerWaalsContact O-CB 3.24Å; A578-A582 WeakPolarHBondContact O-CB 3.44Å; A578-A582 PolarHBondContact O-N 3.48Å
579	T	96.4	Very high	95.6	Very high	90 Å²	90	53.5 Å²	53.5	55%	0.552	27%	0.27	S	S	*	.	H	α-helix	trans	-67.1	-29.6	175.1	-44.4	0	0	0	0	113.2	R577 F583 L765	R577-T579 VanDerWaalsContact C-N 3.25Å; R577-T579 PolarHBondContact O-N 3.45Å; T579-F583 VanDerWaalsContact O-CB 3.3Å; T579-F583 WeakPolarHBondContact O-CB 3.43Å; T579-F583 PolarHBondContact O-N 3.17Å; T579-L765 HydrophobicContact CG2-CD1 3.91Å
580	K	97.4	Very high	95.3	Very high	24 Å²	24	50.5 Å²	50.5	10%	0.104	26%	0.258	C	S	.	.	H	α-helix	trans	-81.9	-39.9	174.7	-55.1	-56	-174	-169.5	0	111.1	M417 Y418 D440 R577 A578 F583 W584	M417-K580 PolarHBondContact O-NZ 3.37Å; Y418-K580 HydrophobicContact CE1-CD 4.07Å; D440-K580 HydrophobicContact CB-CB 4.43Å; D440-K580 WeakPolarHBondContact OD2-CG 3.2Å; R577-K580 WeakPolarHBondContact O-CA 3.02Å; R577-K580 WeakPolarHBondContact O-CB 3.33Å; R577-K580 PolarHBondContact O-N 2.96Å; A578-K580 VanDerWaalsContact C-N 3.31Å; A578-K580 PolarHBondContact O-N 2.86Å; K580-F583 WeakPolarHBondContact O-CB 3.49Å; K580-F583 PolarHBondContact O-N 3.31Å; K580-W584 VanDerWaalsContact O-CD1 3.28Å; K580-W584 PolarHBondContact O-N 3.49Å; K580-W584 VanDerWaalsContact O-N 3.08Å
581	V	97.1	Very high	94.8	Very high	8 Å²	8	50.3 Å²	50.3	5%	0.048	26%	0.256	C	S	.	.	H	α-helix	trans	-57.8	-55	171.4	177.5	0	0	0	0	110.3	V444 E445 V448 R577 A578 F583 W584 K585	V444-V581 HydrophobicContact CG1-CG2 3.96Å; E445-V581 HydrophobicContact CG-CG1 4.02Å; V448-V581 HydrophobicContact CB-CG1 4.06Å; V448-V581 HydrophobicContact CB-CG2 4.39Å; V448-V581 HydrophobicContact CG1-CG1 3.77Å; V448-V581 HydrophobicContact CG2-CG2 4.29Å; R577-V581 PolarHBondContact O-N 3.3Å; R577-V581 VanDerWaalsContact O-N 3.17Å; A578-V581 PolarHBondContact O-N 2.86Å; V581-F583 PolarHBondContact O-N 2.9Å; V581-W584 PolarHBondContact O-N 3.38Å; V581-K585 HydrophobicContact CG1-CD 4.48Å; V581-K585 WeakPolarHBondContact O-CB 3.23Å; V581-K585 PolarHBondContact O-N 2.97Å
582	A	96.2	Very high	94.1	Very high	44 Å²	44	51.6 Å²	51.6	36%	0.364	26%	0.261	S	S	.	.	H	α-helix	trans	-63.9	-28	179.3	0	0	0	0	0	113.4	A578 H586	A578-A582 VanDerWaalsContact O-CB 3.24Å; A578-A582 WeakPolarHBondContact O-CB 3.44Å; A578-A582 PolarHBondContact O-N 3.48Å; A582-H586 WeakPolarHBondContact O-CB 3.4Å; A582-H586 PolarHBondContact O-N 3.38Å; A582-H586 VanDerWaalsContact O-N 3.1Å
583	F	97.2	Very high	93.1	Very high	6 Å²	6	53.5 Å²	53.5	3%	0.026	27%	0.27	C	S	.	.	I	π-helix	trans	-63.6	-52.9	172.1	167.8	-108	0	0	0	111.5	T413 I414 M417 Y418 T579 K580 V581 L587 V588	T413-F583 HydrophobicContact CG2-CE2 3.82Å; T413-F583 HydrophobicContact CG2-CZ 4.38Å; I414-F583 HydrophobicContact CB-CZ 4.48Å; I414-F583 HydrophobicContact CG1-CE1 3.99Å; I414-F583 HydrophobicContact CG1-CZ 3.67Å; M417-F583 HydrophobicContact CB-CE1 4.36Å; M417-F583 HydrophobicContact CB-CE2 4.39Å; M417-F583 HydrophobicContact CB-CZ 4.27Å; M417-F583 HydrophobicContact CE-CB 3.93Å; M417-F583 HydrophobicContact CE-CD2 3.91Å; M417-F583 HydrophobicContact CE-CG 3.95Å; M417-F583 HydrophobicContact CG-CD2 3.86Å; M417-F583 HydrophobicContact CG-CE2 3.74Å; M417-F583 HydrophobicContact CG-CG 4.33Å; M417-F583 HydrophobicContact CG-CZ 4.1Å; Y418-F583 HydrophobicContact CE2-CD1 4.3Å; Y418-F583 HydrophobicContact CE2-CE1 4.11Å; T579-F583 VanDerWaalsContact O-CB 3.3Å; T579-F583 WeakPolarHBondContact O-CB 3.43Å; T579-F583 PolarHBondContact O-N 3.17Å; K580-F583 WeakPolarHBondContact O-CB 3.49Å; K580-F583 PolarHBondContact O-N 3.31Å; V581-F583 PolarHBondContact O-N 2.9Å; F583-L587 HydrophobicContact CD2-CB 4.09Å; F583-L587 HydrophobicContact CD2-CD2 3.93Å; F583-L587 HydrophobicContact CD2-CG 4.38Å; F583-L587 HydrophobicContact CE2-CD2 4.04Å; F583-L587 HydrophobicContact CE2-CG 4.43Å; F583-L587 WeakPolarHBondContact O-CB 3.24Å; F583-L587 PolarHBondContact O-N 3.17Å; F583-L587 VanDerWaalsContact O-N 3.08Å; F583-V588 HydrophobicContact CD1-CG2 4.29Å; F583-V588 HydrophobicContact CD2-CG2 4.31Å; F583-V588 HydrophobicContact CE1-CG2 3.72Å; F583-V588 HydrophobicContact CE2-CG2 3.72Å; F583-V588 HydrophobicContact CZ-CG2 3.4Å; F583-V588 VanDerWaalsContact CZ-CG2 3.4Å; F583-V588 PolarHBondContact O-N 2.91Å
584	W	96.3	Very high	91.8	Very high	9 Å²	9	49.9 Å²	49.9	3%	0.034	26%	0.259	C	S	.	.	I	π-helix	trans	-67.1	-47.6	177.6	-68.6	129.7	0	0	0	112	F396 I414 Y418 L437 H441 E445 K580 V581 H586 V588 P589	F396-W584 AromaticContact CE1-CH2 3.85Å; F396-W584 HydrophobicContact CE1-CH2 3.85Å; F396-W584 HydrophobicContact CE1-CZ2 4.43Å; F396-W584 HydrophobicContact CZ-CH2 4.5Å; I414-W584 HydrophobicContact CD1-CH2 3.77Å; I414-W584 HydrophobicContact CD1-CZ3 3.75Å; I414-W584 HydrophobicContact CG1-CH2 3.85Å; I414-W584 HydrophobicContact CG1-CZ3 4Å; I414-W584 HydrophobicContact CG2-CH2 4Å; Y418-W584 AromaticContact CE2-CZ2 3.67Å; Y418-W584 HydrophobicContact CE2-CZ2 3.67Å; Y418-W584 AromaticContact CZ-NE1 3.93Å; Y418-W584 PolarHBondContact OH-NE1 3.29Å; L437-W584 HydrophobicContact CG-CZ2 4.25Å; H441-W584 HydrophobicContact CB-CD2 4.35Å; H441-W584 HydrophobicContact CB-CZ2 4.09Å; H441-W584 AromaticContact CD2-CD2 3.84Å; H441-W584 AromaticContact CD2-CE3 3.62Å; H441-W584 AromaticContact CD2-CZ3 3.82Å; E445-W584 HydrophobicContact CB-CB 4.24Å; E445-W584 HydrophobicContact CG-CB 3.9Å; K580-W584 VanDerWaalsContact O-CD1 3.28Å; K580-W584 PolarHBondContact O-N 3.49Å; K580-W584 VanDerWaalsContact O-N 3.08Å; V581-W584 PolarHBondContact O-N 3.38Å; W584-H586 PolarHBondContact O-N 3.34Å; W584-V588 HydrophobicContact CE3-CB 4.09Å; W584-V588 HydrophobicContact CE3-CG1 4.14Å; W584-V588 HydrophobicContact CE3-CG2 3.63Å; W584-V588 HydrophobicContact CZ3-CG1 4.31Å; W584-V588 HydrophobicContact CZ3-CG2 3.9Å; W584-P589 WeakPolarHBondContact O-CD 3.38Å
585	K	93.3	Very high	90	Very high	44 Å²	44	48.8 Å²	48.8	19%	0.191	25%	0.251	C	S	.	.	I	π-helix	trans	-67.6	-26.9	-175.7	-167.8	176.6	-179.6	155.5	0	115.2	E445 V449 D452 V581	E445-K585 HydrophobicContact CG-CB 4.15Å; E445-K585 VanDerWaalsContact OE1-CA 3.25Å; E445-K585 WeakPolarHBondContact OE1-CA 3.36Å; E445-K585 VanDerWaalsContact OE1-CB 3.24Å; E445-K585 WeakPolarHBondContact OE1-CB 3.41Å; V449-K585 HydrophobicContact CG2-CD 3.81Å; V449-K585 HydrophobicContact CG2-CG 4.06Å; D452-K585 IonicContact OD2-NZ 3.83Å; D452-K585 PolarHBondContact OD2-NZ 3Å; V581-K585 HydrophobicContact CG1-CD 4.48Å; V581-K585 WeakPolarHBondContact O-CB 3.23Å; V581-K585 PolarHBondContact O-N 2.97Å
586	H	93.3	Very high	87.8	Confident	120 Å²	120	50.5 Å²	50.5	56%	0.556	26%	0.263	S	S	*	.	I	π-helix	trans	-129.4	-46.2	-171.7	-57.4	-41.9	0	0	0	114.4	A582 W584	A582-H586 WeakPolarHBondContact O-CB 3.4Å; A582-H586 PolarHBondContact O-N 3.38Å; A582-H586 VanDerWaalsContact O-N 3.1Å; W584-H586 PolarHBondContact O-N 3.34Å
587	L	93.4	Very high	85.2	Confident	72 Å²	72	55 Å²	55	38%	0.377	29%	0.286	S	S	.	.	I	π-helix	trans	-77.9	-41.6	-176.3	-175.4	57.1	0	0	0	111.8	T413 F583 H590 L591	T413-L587 HydrophobicContact CG2-CD2 4.31Å; F583-L587 HydrophobicContact CD2-CB 4.09Å; F583-L587 HydrophobicContact CD2-CD2 3.93Å; F583-L587 HydrophobicContact CD2-CG 4.38Å; F583-L587 HydrophobicContact CE2-CD2 4.04Å; F583-L587 HydrophobicContact CE2-CG 4.43Å; F583-L587 WeakPolarHBondContact O-CB 3.24Å; F583-L587 PolarHBondContact O-N 3.17Å; F583-L587 VanDerWaalsContact O-N 3.08Å; L587-H590 PolarHBondContact O-N 3.4Å; L587-L591 HydrophobicContact CD1-CD1 4.28Å; L587-L591 HydrophobicContact CD1-CD2 4.39Å; L587-L591 HydrophobicContact CD1-CG 4Å; L587-L591 HydrophobicContact CD2-CD1 4.4Å; L587-L591 HydrophobicContact CG-CD1 3.89Å; L587-L591 HydrophobicContact CG-CG 4.09Å; L587-L591 WeakPolarHBondContact O-CG 3.41Å; L587-L591 PolarHBondContact O-N 3.15Å
588	V	92.1	Very high	82.6	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.006	31%	0.31	C	S	.	.	H	α-helix	trans	-66.8	-46.6	-175.5	167.7	0	0	0	0	113.5	Y401 L410 F583 W584 H590 L591 Y592	Y401-V588 HydrophobicContact CE1-CG1 3.94Å; Y401-V588 WeakPolarHBondContact OH-CG1 3.46Å; L410-V588 HydrophobicContact CD1-CB 4.2Å; L410-V588 HydrophobicContact CD1-CG1 3.72Å; L410-V588 HydrophobicContact CD1-CG2 3.79Å; F583-V588 HydrophobicContact CD1-CG2 4.29Å; F583-V588 HydrophobicContact CD2-CG2 4.31Å; F583-V588 HydrophobicContact CE1-CG2 3.72Å; F583-V588 HydrophobicContact CE2-CG2 3.72Å; F583-V588 HydrophobicContact CZ-CG2 3.4Å; F583-V588 VanDerWaalsContact CZ-CG2 3.4Å; F583-V588 PolarHBondContact O-N 2.91Å; W584-V588 HydrophobicContact CE3-CB 4.09Å; W584-V588 HydrophobicContact CE3-CG1 4.14Å; W584-V588 HydrophobicContact CE3-CG2 3.63Å; W584-V588 HydrophobicContact CZ3-CG1 4.31Å; W584-V588 HydrophobicContact CZ3-CG2 3.9Å; V588-H590 VanDerWaalsContact C-N 3.27Å; V588-H590 PolarHBondContact O-N 2.85Å; V588-L591 PolarHBondContact O-N 2.89Å; V588-Y592 WeakPolarHBondContact O-CB 3.44Å; V588-Y592 PolarHBondContact O-N 3.49Å
589	P	89.3	Confident	79.7	Confident	61 Å²	61	65.7 Å²	65.7	40%	0.396	33%	0.329	S	S	.	.	H	α-helix	trans	-56	-39.2	170.6	-29.5	34.6	0	0	0	113.1	W584 Y592 N593	W584-P589 WeakPolarHBondContact O-CD 3.38Å; P589-Y592 PolarHBondContact O-N 2.87Å; P589-N593 VanDerWaalsContact O-CB 3.31Å; P589-N593 WeakPolarHBondContact O-CB 3.17Å; P589-N593 PolarHBondContact O-N 3.48Å; P589-N593 PolarHBondContact O-ND2 2.85Å
590	H	88.1	Confident	76.8	Confident	100 Å²	100	71.4 Å²	71.4	46%	0.463	34%	0.342	S	S	.	.	H	α-helix	trans	-65.3	-47	175.4	-176.5	63.5	0	0	0	112	L587 V588 Y592 N593 L594	L587-H590 PolarHBondContact O-N 3.4Å; V588-H590 VanDerWaalsContact C-N 3.27Å; V588-H590 PolarHBondContact O-N 2.85Å; H590-Y592 VanDerWaalsContact C-N 3.31Å; H590-Y592 PolarHBondContact O-N 2.76Å; H590-N593 PolarHBondContact O-N 3.29Å; H590-L594 WeakPolarHBondContact O-CG 3.45Å; H590-L594 PolarHBondContact O-N 3.25Å; H590-L594 VanDerWaalsContact O-N 3.09Å
591	L	85.8	Confident	73.8	Confident	18 Å²	18	75.6 Å²	75.6	9%	0.094	37%	0.37	C	S	.	.	H	α-helix	trans	-63	-34.7	177.7	-71.3	178.7	0	0	0	113.1	T409 L410 T413 L587 V588 L594	T409-L591 HydrophobicContact CG2-CD2 4.17Å; L410-L591 HydrophobicContact CD1-CB 4.4Å; L410-L591 HydrophobicContact CD1-CD1 4.38Å; T413-L591 HydrophobicContact CG2-CD1 3.93Å; L587-L591 HydrophobicContact CD1-CD1 4.28Å; L587-L591 HydrophobicContact CD1-CD2 4.39Å; L587-L591 HydrophobicContact CD1-CG 4Å; L587-L591 HydrophobicContact CD2-CD1 4.4Å; L587-L591 HydrophobicContact CG-CD1 3.89Å; L587-L591 HydrophobicContact CG-CG 4.09Å; L587-L591 WeakPolarHBondContact O-CG 3.41Å; L587-L591 PolarHBondContact O-N 3.15Å; V588-L591 PolarHBondContact O-N 2.89Å; L591-L594 HydrophobicContact CD2-CD1 3.86Å
592	Y	80.1	Confident	70.8	Confident	106 Å²	106	80 Å²	80	42%	0.416	40%	0.401	S	S	.	.	H	α-helix	trans	-67.9	-46.4	174.5	-173.8	-102.1	0	0	0	111.1	Y401 P404 V588 P589 H590 L594	Y401-Y592 AromaticContact CD1-CD2 3.89Å; Y401-Y592 HydrophobicContact CD1-CD2 3.89Å; Y401-Y592 HydrophobicContact CD1-CE2 4.11Å; Y401-Y592 HydrophobicContact CG-CD2 4.49Å; P404-Y592 HydrophobicContact CG-CE2 4.25Å; V588-Y592 WeakPolarHBondContact O-CB 3.44Å; V588-Y592 PolarHBondContact O-N 3.49Å; P589-Y592 PolarHBondContact O-N 2.87Å; H590-Y592 VanDerWaalsContact C-N 3.31Å; H590-Y592 PolarHBondContact O-N 2.76Å; Y592-L594 VanDerWaalsContact C-N 3.29Å; Y592-L594 PolarHBondContact O-N 3.1Å
593	N	77.4	Confident	68	Low	82 Å²	82	84.5 Å²	84.5	44%	0.439	42%	0.424	S	S	.	.	H	α-helix	trans	-77.9	-2.8	-178	-66.3	-13.1	0	0	0	114.8	P589 H590 H595	P589-N593 VanDerWaalsContact O-CB 3.31Å; P589-N593 WeakPolarHBondContact O-CB 3.17Å; P589-N593 PolarHBondContact O-N 3.48Å; P589-N593 PolarHBondContact O-ND2 2.85Å; H590-N593 PolarHBondContact O-N 3.29Å; N593-H595 PolarHBondContact O-N 2.77Å
594	L	68.9	Low	65.1	Low	34 Å²	34	89.6 Å²	89.6	18%	0.178	46%	0.456	C	S	.	.	H	α-helix	trans	-55	-35.8	179.9	-83.5	179	0	0	0	112.9	H590 L591 Y592 M597 F598	H590-L594 WeakPolarHBondContact O-CG 3.45Å; H590-L594 PolarHBondContact O-N 3.25Å; H590-L594 VanDerWaalsContact O-N 3.09Å; L591-L594 HydrophobicContact CD2-CD1 3.86Å; Y592-L594 VanDerWaalsContact C-N 3.29Å; Y592-L594 PolarHBondContact O-N 3.1Å; L594-M597 HydrophobicContact CD2-CE 3.91Å; L594-F598 WeakPolarHBondContact O-CD2 3.28Å
595	H	59.2	Low	62.3	Low	64 Å²	64	95 Å²	95	30%	0.296	49%	0.49	S	S	.	.	H	α-helix	trans	-82.4	-31.9	-169.9	-58.1	-51.5	0	0	0	113.6	E405 G406 N593 M597 F598 H599	E405-H595 PolarHBondContact O-CD2 3.04Å; G406-H595 VanDerWaalsContact CA-NE2 3.28Å; G406-H595 WeakPolarHBondContact CA-NE2 3.35Å; G406-H595 PolarHBondContact O-NE2 3.19Å; N593-H595 PolarHBondContact O-N 2.77Å; H595-M597 VanDerWaalsContact C-N 3.27Å; H595-M597 PolarHBondContact O-N 3.44Å; H595-F598 PolarHBondContact O-N 3.37Å; H595-F598 VanDerWaalsContact O-N 3.11Å; H595-H599 PolarHBondContact O-CD2 3.34Å; H595-H599 VanDerWaalsContact O-CD2 3.26Å; H595-H599 PolarHBondContact O-N 2.77Å
596	D	52.4	Low	59.3	Low	113 Å²	113	102.9 Å²	102.9	60%	0.604	52%	0.524	S	S	*	.	H	α-helix	trans	-62.7	-34	172.5	-83.6	-34.6	0	0	0	112.2	F598 H599 Y600	D596-F598 VanDerWaalsContact C-N 3.3Å; D596-F598 PolarHBondContact O-N 2.75Å; D596-H599 PolarHBondContact O-N 2.96Å; D596-Y600 PolarHBondContact O-N 3.29Å
597	M	43	Very low	56.4	Low	103 Å²	103	103.1 Å²	103.1	51%	0.507	53%	0.534	S	S	.	.	H	α-helix	trans	-62.8	-35.6	174.1	-63.1	-160.2	-59.5	0	0	112.6	L594 H595 T601	L594-M597 HydrophobicContact CD2-CE 3.91Å; H595-M597 VanDerWaalsContact C-N 3.27Å; H595-M597 PolarHBondContact O-N 3.44Å; M597-T601 PolarHBondContact O-OG1 3.49Å
598	F	41.8	Very low	53.6	Low	143 Å²	143	104.9 Å²	104.9	63%	0.627	55%	0.55	S	S	*	*	H	α-helix	trans	-75.3	-31.1	179.2	-70.6	-63	0	0	0	112.7	L594 H595 D596 Y600 T601	L594-F598 WeakPolarHBondContact O-CD2 3.28Å; H595-F598 PolarHBondContact O-N 3.37Å; H595-F598 VanDerWaalsContact O-N 3.11Å; D596-F598 VanDerWaalsContact C-N 3.3Å; D596-F598 PolarHBondContact O-N 2.75Å; F598-Y600 VanDerWaalsContact C-N 3.33Å; F598-Y600 PolarHBondContact O-N 3Å; F598-T601 PolarHBondContact O-N 3.14Å
599	H	35.3	Very low	50.8	Low	137 Å²	137	110.2 Å²	110.2	63%	0.634	59%	0.585	S	S	*	*	H	α-helix	trans	-66.5	-32.7	173.8	-74	-61.8	0	0	0	113.1	H595 D596 T601	H595-H599 PolarHBondContact O-CD2 3.34Å; H595-H599 VanDerWaalsContact O-CD2 3.26Å; H595-H599 PolarHBondContact O-N 2.77Å; D596-H599 PolarHBondContact O-N 2.96Å; H599-T601 PolarHBondContact O-N 3.43Å
600	Y	35.4	Very low	48.1	Very low	210 Å²	210	113.2 Å²	113.2	82%	0.824	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-13.1	178.8	-117	-82.7	0	0	0	115.1	D596 F598	D596-Y600 PolarHBondContact O-N 3.29Å; F598-Y600 VanDerWaalsContact C-N 3.33Å; F598-Y600 PolarHBondContact O-N 3Å
601	T	33.5	Very low	45.3	Very low	113 Å²	113	115.9 Å²	115.9	69%	0.693	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	15.5	-171.3	-41.6	0	0	0	0	113.5	M597 F598 H599	M597-T601 PolarHBondContact O-OG1 3.49Å; F598-T601 PolarHBondContact O-N 3.14Å; H599-T601 PolarHBondContact O-N 3.43Å
602	S	34.4	Very low	42.6	Very low	100 Å²	100	121.8 Å²	121.8	70%	0.699	66%	0.659	S	S	*	*			trans	-107.5	46.7	-174	-150	0	0	0	0	114.7
603	T	38.7	Very low	40.3	Very low	138 Å²	138	122 Å²	122	85%	0.847	67%	0.671	S	S	*	*			trans	-122.2	44.9	177.9	42.4	0	0	0	0	113.7
604	T	36.6	Very low	38	Very low	113 Å²	113	126.7 Å²	126.7	69%	0.693	69%	0.69	S	S	*	*	S	Bend	trans	-142	136.1	163.9	-178.2	0	0	0	0	113.3
605	T	35.5	Very low	36	Very low	123 Å²	123	131.2 Å²	131.2	76%	0.755	73%	0.725	S	S	*	*			trans	45	80.1	165.1	53.2	0	0	0	0	118.6
606	K	32	Very low	34.3	Very low	209 Å²	209	132.4 Å²	132.4	91%	0.909	74%	0.74	S	S	*	*			trans	-82.1	113.8	146.1	-78.4	-171.9	177.3	179.3	0	109.4
607	V	32.5	Very low	33.2	Very low	126 Å²	126	136.5 Å²	136.5	76%	0.764	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-76.5	135.5	169.7	-179.5	0	0	0	0	108.8
608	P	33	Very low	32.3	Very low	109 Å²	109	138.3 Å²	138.3	71%	0.708	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-68.5	140.4	176.5	-18	31.5	0	0	0	112.1
609	P	33	Very low	31.6	Very low	113 Å²	113	138.5 Å²	138.5	73%	0.734	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-68.6	150	165.6	31.1	-34.1	0	0	0	110.5
610	P	33	Very low	31.2	Very low	124 Å²	124	142.5 Å²	142.5	81%	0.805	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-72.7	145.1	179.8	30.4	-35.2	0	0	0	112.3
611	D	29.1	Very low	30.9	Very low	155 Å²	155	143.3 Å²	143.3	83%	0.829	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-62.1	133.8	177.6	-71.6	-67.2	0	0	0	113
612	T	30.3	Very low	31	Very low	142 Å²	142	142.8 Å²	142.8	87%	0.871	79%	0.788	S	S	*	*			trans	-121.6	100.8	154.8	52.3	0	0	0	0	109.9
613	T	32.1	Very low	30.8	Very low	111 Å²	111	145.9 Å²	145.9	68%	0.681	80%	0.797	S	S	*	*			trans	-70.8	131.1	176	51.2	0	0	0	0	111.7
614	H	27.4	Very low	30.3	Very low	181 Å²	181	142.8 Å²	142.8	84%	0.838	79%	0.792	S	S	*	*				162.5	103.5	125.6	-89.4	-68.6	0	0	0	112.6
615	S	27.4	Very low	30	Very low	129 Å²	129	147.5 Å²	147.5	90%	0.902	80%	0.803	S	S	*	*				-167.8	155.7	121.6	55.9	0	0	0	0	109.9
616	S	24.7	Very low	29.5	Very low	88 Å²	88	148.2 Å²	148.2	62%	0.615	81%	0.808	S	S	*	*			trans	-110.6	144.8	-176.2	57.6	0	0	0	0	111
617	H	27.5	Very low	29.3	Very low	200 Å²	200	150.3 Å²	150.3	93%	0.926	81%	0.81	S	S	*	*			trans	-143.8	139.7	136.4	-99.2	-66.1	0	0	0	112.5
618	I	25.6	Very low	28.9	Very low	141 Å²	141	148.7 Å²	148.7	72%	0.723	80%	0.804	S	S	*	*			trans	-98.1	134	-170.5	-64.8	160.9	0	0	0	110	R620	I618-R620 HydrophobicContact CG2-CB 4.27Å
619	T	26.9	Very low	28.7	Very low	147 Å²	147	150.4 Å²	150.4	90%	0.902	81%	0.813	S	S	*	*			trans	-129.8	144.2	143.4	51.3	0	0	0	0	109.3
620	R	26.4	Very low	28.5	Very low	221 Å²	221	154.4 Å²	154.4	83%	0.834	82%	0.819	S	S	*	*			trans	-161.3	146.6	-171.8	-172.2	-176.6	-175	-163.9	3.5	110.6	I618	I618-R620 HydrophobicContact CG2-CB 4.27Å
621	R	29	Very low	28.6	Very low	227 Å²	227	159.6 Å²	159.6	86%	0.857	82%	0.822	S	S	*	*			trans	118	155.3	159.3	-70.8	176.5	-174	-128	4.7	113.7
622	P	35.3	Very low	28.8	Very low	101 Å²	101	158.1 Å²	158.1	66%	0.656	82%	0.821	S	S	*	*			cis	-139.9	167.2	-32.9	37.4	-21.5	0	0	0	114.6
623	N	30.3	Very low	28.6	Very low	165 Å²	165	155.7 Å²	155.7	88%	0.882	82%	0.815	S	S	*	*			trans	65.3	140.5	162.4	-57.4	-10.1	0	0	0	117.8
624	G	29	Very low	28.7	Very low	73 Å²	73	158.3 Å²	158.3	75%	0.753	82%	0.824	S	S	*	*			cis	152.2	77.7	-8.2	0	0	0	0	0	115
625	K	29.2	Very low	28.8	Very low	213 Å²	213	155 Å²	155	93%	0.926	82%	0.821	S	S	*	*			trans	-159.7	131.8	155.4	-111.4	164.5	-173.9	177.9	0	110
626	T	25.5	Very low	29.8	Very low	138 Å²	138	154.5 Å²	154.5	85%	0.847	81%	0.814	S	S	*	*			trans	-105.3	149.6	177.9	36.4	0	0	0	0	110.6
627	W	27.3	Very low	29.9	Very low	252 Å²	252	154.4 Å²	154.4	96%	0.955	82%	0.819	S	S	*	*			trans	-135.5	143.9	155.2	-137.3	-69.9	0	0	0	108.6
628	S	24.8	Very low	30	Very low	92 Å²	92	155.8 Å²	155.8	64%	0.643	82%	0.818	S	S	*	*			trans	-131.3	141.1	-179.4	66.1	0	0	0	0	111.2
629	T	29.5	Very low	30.1	Very low	146 Å²	146	153.3 Å²	153.3	90%	0.896	81%	0.813	S	S	*	*			trans	-117.7	147.8	157.6	44.9	0	0	0	0	108.8
630	K	27.8	Very low	30.1	Very low	197 Å²	197	152.5 Å²	152.5	86%	0.857	80%	0.803	S	S	*	*			trans	-111.4	155	-173.6	-75	-178.6	176.4	177.9	0	111.9
631	R	35.4	Very low	30.4	Very low	232 Å²	232	149.5 Å²	149.5	88%	0.875	80%	0.799	S	S	*	*			trans	-31.9	152.8	163.4	-61	178.7	175.8	-174.9	-2.4	114.9
632	P	34.3	Very low	30.3	Very low	124 Å²	124	146.2 Å²	146.2	81%	0.805	80%	0.798	S	S	*	*				-107.1	158.9	78	-10.9	30	0	0	0	112.7
633	A	25.2	Very low	30	Very low	91 Å²	91	145.2 Å²	145.2	75%	0.752	80%	0.799	S	S	*	*			cis	89.8	130	24.4	0	0	0	0	0	115.3
634	I	34.3	Very low	29.8	Very low	167 Å²	167	147 Å²	147	86%	0.856	80%	0.801	S	S	*	*			trans	-109.4	145.3	-167.1	-62.5	163	0	0	0	110.8
635	S	28.8	Very low	29.8	Very low	110 Å²	110	147.1 Å²	147.1	77%	0.769	80%	0.803	S	S	*	*			trans	171.2	171.3	150.9	-79.9	0	0	0	0	110.8
636	P	49.1	Very low	29.6	Very low	119 Å²	119	142.1 Å²	142.1	77%	0.773	80%	0.795	S	S	*	*				-141.7	-155.6	-63.3	44.1	-25.1	0	0	0	112.8
637	A	27.4	Very low	29.6	Very low	87 Å²	87	146 Å²	146	72%	0.719	80%	0.795	S	S	*	*			trans	77.9	144.2	168.7	0	0	0	0	0	116.4
638	Y	28.3	Very low	29.6	Very low	228 Å²	228	141.1 Å²	141.1	89%	0.894	79%	0.787	S	S	*	*			cis	-126.6	176.4	33.4	-114.6	-99.6	0	0	0	116.1
639	S	27.7	Very low	29.7	Very low	90 Å²	90	139.9 Å²	139.9	63%	0.629	79%	0.788	S	S	*	*			trans	-136.2	172.5	-168.3	57.5	0	0	0	0	114.3
640	N	27.7	Very low	29.6	Very low	129 Å²	129	140.2 Å²	140.2	69%	0.69	79%	0.785	S	S	*	*			trans	128.3	149.9	149.7	-73.9	31.8	0	0	0	114.8
641	E	32.6	Very low	29.7	Very low	158 Å²	158	139.7 Å²	139.7	74%	0.738	79%	0.786	S	S	*	*			cis	-168.3	-176.8	-35.5	-136	-177.9	160.9	0	0	110.1
642	N	27	Very low	29.6	Very low	158 Å²	158	136.6 Å²	136.6	85%	0.845	79%	0.786	S	S	*	*			trans	91.1	132.3	178.9	-55.9	-44.4	0	0	0	116.3
643	A	28.3	Very low	29.3	Very low	81 Å²	81	135.3 Å²	135.3	67%	0.669	79%	0.786	S	S	*	*			cis	-159.6	157.5	-16.6	0	0	0	0	0	110.8
644	Q	27.7	Very low	29.4	Very low	201 Å²	201	134.3 Å²	134.3	94%	0.939	79%	0.785	S	S	*	*			trans	23.5	132.8	152.4	-60.4	170.4	-15.2	0	0	120.2
645	G	27.5	Very low	30.1	Very low	77 Å²	77	132 Å²	132	79%	0.794	78%	0.781	S	S	*	*			cis	150.4	166.1	-3.7	0	0	0	0	0	113.8
646	S	25.5	Very low	30	Very low	108 Å²	108	134 Å²	134	76%	0.755	78%	0.782	S	S	*	*			trans	93.5	102	159.8	-158.7	0	0	0	0	122.6
647	W	25.3	Very low	29.1	Very low	220 Å²	220	135.5 Å²	135.5	83%	0.833	78%	0.782	S	S	*	*			trans	45.9	131.9	130.1	-65.9	87.2	0	0	0	124.2
648	N	26.6	Very low	29.4	Very low	149 Å²	149	137.6 Å²	137.6	80%	0.797	79%	0.786	S	S	*	*			trans	67.8	153.7	153.3	-61.9	-13	0	0	0	119
649	G	27.3	Very low	29.6	Very low	65 Å²	65	135.7 Å²	135.7	67%	0.67	79%	0.786	S	S	*	*			cis	158.3	131.7	-10.8	0	0	0	0	0	114.3
650	D	28.9	Very low	30	Very low	153 Å²	153	138.8 Å²	138.8	82%	0.818	80%	0.795	S	S	*	*			trans	66.2	148.9	165.3	-81.9	6.3	0	0	0	123
651	Q	29	Very low	30.9	Very low	187 Å²	187	137.9 Å²	137.9	87%	0.874	80%	0.796	S	S	*	*			trans	92.9	150.2	153	-81.1	163.2	63.9	0	0	122.2
652	D	33	Very low	31.5	Very low	166 Å²	166	141 Å²	141	89%	0.888	80%	0.801	S	S	*	*			trans	-107.3	177.6	-155.5	-106.4	-54.4	0	0	0	113.8
653	A	28.1	Very low	32.4	Very low	97 Å²	97	140.2 Å²	140.2	80%	0.802	80%	0.797	S	S	*	*			trans	82.6	126.4	165.4	0	0	0	0	0	118.7
654	G	28	Very low	33.4	Very low	70 Å²	70	146.3 Å²	146.3	72%	0.722	80%	0.804	S	S	*	*			trans	-92	-152.4	164	0	0	0	0	0	112.1
655	P	48.2	Very low	34.9	Very low	119 Å²	119	141 Å²	141	77%	0.773	79%	0.789	S	S	*	*			cis	-140.8	-167.1	12.2	40.1	-19.2	0	0	0	115.9
656	L	27.1	Very low	36.5	Very low	151 Å²	151	141.9 Å²	141.9	79%	0.791	78%	0.779	S	S	*	*			trans	89.9	150.1	156.1	-69.6	166	0	0	0	121.5
657	L	30	Very low	38.4	Very low	151 Å²	151	144 Å²	144	79%	0.791	78%	0.777	S	S	*	*			trans	66.7	109.9	175.6	-48.7	-174.6	0	0	0	114.8
658	V	33.7	Very low	40.3	Very low	132 Å²	132	138.8 Å²	138.8	80%	0.8	77%	0.765	S	S	*	*			cis	73.7	103.5	41.1	-171.2	0	0	0	0	113.4
659	E	32	Very low	42.2	Very low	188 Å²	188	134.9 Å²	134.9	88%	0.879	75%	0.749	S	S	*	*			trans	-123.6	169.9	160	-128.7	178.1	-178.9	0	0	110.2
660	N	35.9	Very low	44.7	Very low	155 Å²	155	136.2 Å²	136.2	83%	0.829	74%	0.744	S	S	*	*			trans	-76.6	140.8	-145.6	-87.4	-66.6	0	0	0	117.8
661	P	48	Very low	47.2	Very low	109 Å²	109	133.6 Å²	133.6	71%	0.708	73%	0.734	S	S	*	*			trans	-90.7	135.9	164.8	35.2	-31.3	0	0	0	112.4
662	R	45.4	Very low	49.8	Very low	224 Å²	224	129.9 Å²	129.9	85%	0.845	72%	0.719	S	S	*	*			trans	-145.1	170	161.7	-78.8	-157.3	169	164.2	-0.2	111.8
663	D	44.3	Very low	52.1	Low	141 Å²	141	124.4 Å²	124.4	75%	0.754	70%	0.697	S	S	*	*	S	Bend	trans	72	34.8	165.5	-51.3	-19.9	0	0	0	118.4
664	Y	50.5	Low	55	Low	210 Å²	210	123.7 Å²	123.7	82%	0.824	68%	0.682	S	S	*	*	S	Bend	trans	-121.4	-3.9	156.6	-88.3	-79.8	0	0	0	114.5
665	S	59.3	Low	57.8	Low	88 Å²	88	122.2 Å²	122.2	62%	0.615	67%	0.667	S	S	*	*	H	α-helix	trans	-81.9	-30.6	-170.8	-171.2	0	0	0	0	114.5	S669	S665-S669 WeakPolarHBondContact O-CB 3.29Å; S665-S669 PolarHBondContact O-N 3.31Å; S665-S669 PolarHBondContact O-OG 3.05Å
666	T	61.5	Low	59.6	Low	97 Å²	97	119.4 Å²	119.4	60%	0.595	65%	0.654	S	S	*	*	H	α-helix	trans	-73.7	-51.7	-169.1	39.1	0	0	0	0	112.5	L668 S669 V670	T666-L668 PolarHBondContact O-N 3.03Å; T666-S669 PolarHBondContact O-N 3.35Å; T666-V670 WeakPolarHBondContact O-CG2 3.29Å; T666-V670 PolarHBondContact O-N 3.34Å
667	E	63.6	Low	62.5	Low	151 Å²	151	115.5 Å²	115.5	71%	0.706	64%	0.639	S	S	*	*	H	α-helix	trans	-65.4	-39.7	-176.3	-58.2	-172.1	158.2	0	0	112.1	V670 T671	E667-V670 PolarHBondContact O-N 2.98Å; E667-T671 WeakPolarHBondContact O-CB 3.3Å; E667-T671 PolarHBondContact O-N 3.26Å; E667-T671 PolarHBondContact O-OG1 2.96Å
668	L	66.6	Low	65.2	Low	111 Å²	111	113.2 Å²	113.2	58%	0.581	63%	0.627	S	S	*	*	H	α-helix	trans	-64.5	-45.1	175	-168.7	70	0	0	0	111.3	T666 V670 T671 I672	T666-L668 PolarHBondContact O-N 3.03Å; L668-V670 PolarHBondContact O-N 3.2Å; L668-T671 PolarHBondContact O-N 3.45Å; L668-I672 HydrophobicContact CG-CD1 4.01Å; L668-I672 VanDerWaalsContact O-CG1 3.29Å; L668-I672 WeakPolarHBondContact O-CG1 3.11Å; L668-I672 PolarHBondContact O-N 2.69Å
669	S	66.7	Low	67.9	Low	67 Å²	67	112.6 Å²	112.6	47%	0.469	62%	0.619	S	S	.	*	H	α-helix	trans	-63.8	-39	176.4	-67.9	0	0	0	0	113	S665 T666 A673	S665-S669 WeakPolarHBondContact O-CB 3.29Å; S665-S669 PolarHBondContact O-N 3.31Å; S665-S669 PolarHBondContact O-OG 3.05Å; T666-S669 PolarHBondContact O-N 3.35Å; S669-A673 VanDerWaalsContact O-CB 3.28Å; S669-A673 WeakPolarHBondContact O-CB 3.28Å; S669-A673 PolarHBondContact O-N 3.43Å
670	V	78.2	Confident	70.6	Confident	94 Å²	94	109.9 Å²	109.9	57%	0.57	60%	0.604	S	S	*	*	H	α-helix	trans	-63.8	-45.3	174.4	170	0	0	0	0	110.8	T666 E667 L668 I672 A673 V674	T666-V670 WeakPolarHBondContact O-CG2 3.29Å; T666-V670 PolarHBondContact O-N 3.34Å; E667-V670 PolarHBondContact O-N 2.98Å; L668-V670 PolarHBondContact O-N 3.2Å; V670-I672 PolarHBondContact O-N 2.83Å; V670-A673 PolarHBondContact O-N 3.32Å; V670-V674 HydrophobicContact CG1-CG2 4.47Å; V670-V674 WeakPolarHBondContact O-CG2 3.49Å; V670-V674 PolarHBondContact O-N 3.07Å
671	T	81.6	Confident	73.2	Confident	97 Å²	97	107.5 Å²	107.5	60%	0.595	59%	0.591	S	S	*	*	H	α-helix	trans	-60.9	-45	178.9	-55.8	0	0	0	0	111.6	E667 L668 V674 G675	E667-T671 WeakPolarHBondContact O-CB 3.3Å; E667-T671 PolarHBondContact O-N 3.26Å; E667-T671 PolarHBondContact O-OG1 2.96Å; L668-T671 PolarHBondContact O-N 3.45Å; T671-V674 PolarHBondContact O-N 2.93Å; T671-G675 PolarHBondContact O-N 3.21Å
672	I	83.6	Confident	74.8	Confident	110 Å²	110	107.1 Å²	107.1	56%	0.564	58%	0.583	S	S	*	*	H	α-helix	trans	-63.9	-43.2	176	-68.4	166.8	0	0	0	111	L668 V670 V674 G675 A676	L668-I672 HydrophobicContact CG-CD1 4.01Å; L668-I672 VanDerWaalsContact O-CG1 3.29Å; L668-I672 WeakPolarHBondContact O-CG1 3.11Å; L668-I672 PolarHBondContact O-N 2.69Å; V670-I672 PolarHBondContact O-N 2.83Å; I672-V674 PolarHBondContact O-N 2.96Å; I672-G675 PolarHBondContact O-N 3.17Å; I672-A676 WeakPolarHBondContact O-CB 3.33Å; I672-A676 PolarHBondContact O-N 3.23Å
673	A	80.9	Confident	77	Confident	51 Å²	51	100.4 Å²	100.4	42%	0.421	57%	0.567	S	S	.	*	H	α-helix	trans	-64	-40.6	179.2	0	0	0	0	0	112.4	S669 V670 S677	S669-A673 VanDerWaalsContact O-CB 3.28Å; S669-A673 WeakPolarHBondContact O-CB 3.28Å; S669-A673 PolarHBondContact O-N 3.43Å; V670-A673 PolarHBondContact O-N 3.32Å; A673-S677 VanDerWaalsContact O-CB 3.32Å; A673-S677 WeakPolarHBondContact O-CB 3.49Å; A673-S677 PolarHBondContact O-N 2.96Å; A673-S677 PolarHBondContact O-OG 3.23Å
674	V	89.9	Confident	79.1	Confident	81 Å²	81	98 Å²	98	49%	0.491	55%	0.553	S	S	.	*	H	α-helix	trans	-67	-46.2	175.6	172.3	0	0	0	0	110.8	V670 T671 I672 A676 S677 L678	V670-V674 HydrophobicContact CG1-CG2 4.47Å; V670-V674 WeakPolarHBondContact O-CG2 3.49Å; V670-V674 PolarHBondContact O-N 3.07Å; T671-V674 PolarHBondContact O-N 2.93Å; I672-V674 PolarHBondContact O-N 2.96Å; V674-A676 PolarHBondContact O-N 3.29Å; V674-S677 PolarHBondContact O-N 3.47Å; V674-L678 HydrophobicContact CG1-CD1 4.04Å; V674-L678 WeakPolarHBondContact O-CG 3.17Å; V674-L678 PolarHBondContact O-N 2.83Å
675	G	87.1	Confident	80.8	Confident	39 Å²	39	90.3 Å²	90.3	40%	0.402	53%	0.533	S	S	.	.	H	α-helix	trans	-59.4	-47	177.6	0	0	0	0	0	113.1	T671 I672 S677 L678 L679	T671-G675 PolarHBondContact O-N 3.21Å; I672-G675 PolarHBondContact O-N 3.17Å; G675-S677 VanDerWaalsContact C-N 3.34Å; G675-S677 PolarHBondContact O-N 3.34Å; G675-L678 PolarHBondContact O-N 2.47Å; G675-L679 WeakPolarHBondContact O-CB 3.38Å; G675-L679 PolarHBondContact O-N 3.16Å
676	A	85.1	Confident	82.2	Confident	61 Å²	61	93.1 Å²	93.1	50%	0.504	54%	0.535	S	S	.	.	H	α-helix	trans	-61.9	-39.8	175.1	0	0	0	0	0	112.4	I672 V674 L679 F680	I672-A676 WeakPolarHBondContact O-CB 3.33Å; I672-A676 PolarHBondContact O-N 3.23Å; V674-A676 PolarHBondContact O-N 3.29Å; A676-L679 PolarHBondContact O-N 3.29Å; A676-F680 WeakPolarHBondContact O-CB 3.43Å; A676-F680 PolarHBondContact O-N 3.39Å
677	S	87.9	Confident	83.4	Confident	69 Å²	69	91.1 Å²	91.1	48%	0.483	53%	0.527	S	S	.	.	H	α-helix	trans	-65.4	-42.2	179	-59.1	0	0	0	0	112.3	A673 V674 G675 F680 L681	A673-S677 VanDerWaalsContact O-CB 3.32Å; A673-S677 WeakPolarHBondContact O-CB 3.49Å; A673-S677 PolarHBondContact O-N 2.96Å; A673-S677 PolarHBondContact O-OG 3.23Å; V674-S677 PolarHBondContact O-N 3.47Å; G675-S677 VanDerWaalsContact C-N 3.34Å; G675-S677 PolarHBondContact O-N 3.34Å; S677-F680 PolarHBondContact O-N 3.11Å; S677-L681 WeakPolarHBondContact O-CG 3.44Å; S677-L681 PolarHBondContact O-N 3.26Å
678	L	88.3	Confident	84.3	Confident	103 Å²	103	86.7 Å²	86.7	54%	0.539	52%	0.517	S	S	.	.	H	α-helix	trans	-66.1	-40.1	175.6	-70.5	170.9	0	0	0	111.8	V674 G675 L681 N682	V674-L678 HydrophobicContact CG1-CD1 4.04Å; V674-L678 WeakPolarHBondContact O-CG 3.17Å; V674-L678 PolarHBondContact O-N 2.83Å; G675-L678 PolarHBondContact O-N 2.47Å; L678-L681 PolarHBondContact O-N 3.06Å; L678-N682 PolarHBondContact O-N 3.32Å; L678-N682 PolarHBondContact O-ND2 3.43Å
679	L	89.1	Confident	85	Confident	118 Å²	118	86.7 Å²	86.7	62%	0.618	52%	0.517	S	S	*	.	H	α-helix	trans	-64.4	-42.2	175.9	-169.5	147.7	0	0	0	111.4	G675 A676 N682 V683	G675-L679 WeakPolarHBondContact O-CB 3.38Å; G675-L679 PolarHBondContact O-N 3.16Å; A676-L679 PolarHBondContact O-N 3.29Å; L679-N682 PolarHBondContact O-N 3.03Å; L679-V683 HydrophobicContact CD2-CG2 4.27Å; L679-V683 WeakPolarHBondContact O-CG2 3.42Å; L679-V683 PolarHBondContact O-N 3.18Å
680	F	89.8	Confident	85.8	Confident	132 Å²	132	91.6 Å²	91.6	58%	0.579	53%	0.526	S	S	*	.	H	α-helix	trans	-65	-40.8	176.1	-165.9	-106.8	0	0	0	112.5	A676 S677 N682 V683 L684	A676-F680 WeakPolarHBondContact O-CB 3.43Å; A676-F680 PolarHBondContact O-N 3.39Å; S677-F680 PolarHBondContact O-N 3.11Å; F680-N682 PolarHBondContact O-N 3.41Å; F680-V683 PolarHBondContact O-N 2.64Å; F680-L684 HydrophobicContact CD1-CD1 3.83Å; F680-L684 HydrophobicContact CD1-CG 4.28Å; F680-L684 HydrophobicContact CE1-CD1 3.64Å; F680-L684 HydrophobicContact CE1-CD2 4.5Å; F680-L684 HydrophobicContact CE1-CG 4.11Å; F680-L684 HydrophobicContact CZ-CD1 4.47Å; F680-L684 WeakPolarHBondContact O-CG 3.35Å; F680-L684 PolarHBondContact O-N 3.3Å
681	L	89.1	Confident	85.8	Confident	105 Å²	105	94.9 Å²	94.9	55%	0.55	53%	0.53	S	S	.	.	H	α-helix	trans	-60.4	-41.9	173	-80.2	167.8	0	0	0	112.4	S677 L678 L684 A685	S677-L681 WeakPolarHBondContact O-CG 3.44Å; S677-L681 PolarHBondContact O-N 3.26Å; L678-L681 PolarHBondContact O-N 3.06Å; L681-L684 PolarHBondContact O-N 2.9Å; L681-A685 WeakPolarHBondContact O-CB 3.43Å; L681-A685 PolarHBondContact O-N 2.88Å
682	N	82.5	Confident	85.6	Confident	101 Å²	101	99.4 Å²	99.4	54%	0.54	54%	0.536	S	S	.	.	H	α-helix	trans	-63.6	-43.5	175.2	-77.4	-32	0	0	0	112	L678 L679 F680 L684 A685 F686	L678-N682 PolarHBondContact O-N 3.32Å; L678-N682 PolarHBondContact O-ND2 3.43Å; L679-N682 PolarHBondContact O-N 3.03Å; F680-N682 PolarHBondContact O-N 3.41Å; N682-L684 PolarHBondContact O-N 3.24Å; N682-A685 PolarHBondContact O-N 2.75Å; N682-F686 VanDerWaalsContact O-CD2 3.31Å; N682-F686 WeakPolarHBondContact O-CD2 3.37Å; N682-F686 PolarHBondContact O-N 2.72Å
683	V	90.4	Very high	85.2	Confident	83 Å²	83	101.1 Å²	101.1	50%	0.503	54%	0.539	S	S	.	.	H	α-helix	trans	-61	-43.2	175.2	171.8	0	0	0	0	111.4	L679 F680 F686 A687	L679-V683 HydrophobicContact CD2-CG2 4.27Å; L679-V683 WeakPolarHBondContact O-CG2 3.42Å; L679-V683 PolarHBondContact O-N 3.18Å; F680-V683 PolarHBondContact O-N 2.64Å; V683-F686 PolarHBondContact O-N 3.01Å; V683-A687 WeakPolarHBondContact O-CB 3.43Å; V683-A687 PolarHBondContact O-N 3.03Å
684	L	89	Confident	84.8	Confident	90 Å²	90	101.3 Å²	101.3	47%	0.471	53%	0.533	S	S	.	.	H	α-helix	trans	-63.6	-39.2	174.8	-72.3	177.2	0	0	0	112.6	F680 L681 N682 A687 A688	F680-L684 HydrophobicContact CD1-CD1 3.83Å; F680-L684 HydrophobicContact CD1-CG 4.28Å; F680-L684 HydrophobicContact CE1-CD1 3.64Å; F680-L684 HydrophobicContact CE1-CD2 4.5Å; F680-L684 HydrophobicContact CE1-CG 4.11Å; F680-L684 HydrophobicContact CZ-CD1 4.47Å; F680-L684 WeakPolarHBondContact O-CG 3.35Å; F680-L684 PolarHBondContact O-N 3.3Å; L681-L684 PolarHBondContact O-N 2.9Å; N682-L684 PolarHBondContact O-N 3.24Å; L684-A687 PolarHBondContact O-N 2.7Å; L684-A688 VanDerWaalsContact O-CB 3.32Å; L684-A688 WeakPolarHBondContact O-CB 3.42Å; L684-A688 PolarHBondContact O-N 2.76Å
685	A	87.3	Confident	83.5	Confident	48 Å²	48	103.5 Å²	103.5	40%	0.397	54%	0.536	S	S	.	.	H	α-helix	trans	-63.9	-45.3	176	0	0	0	0	0	111.8	L681 N682 A688 L689	L681-A685 WeakPolarHBondContact O-CB 3.43Å; L681-A685 PolarHBondContact O-N 2.88Å; N682-A685 PolarHBondContact O-N 2.75Å; A685-A688 PolarHBondContact O-N 2.89Å; A685-L689 WeakPolarHBondContact O-CB 3.16Å; A685-L689 WeakPolarHBondContact O-CG 3.34Å; A685-L689 PolarHBondContact O-N 3.17Å
686	F	87.2	Confident	82.2	Confident	148 Å²	148	112.2 Å²	112.2	65%	0.649	56%	0.557	S	S	*	*	H	α-helix	trans	-63.8	-41.3	174.2	-84.1	-70.4	0	0	0	112.5	N682 V683 L689 Y690	N682-F686 VanDerWaalsContact O-CD2 3.31Å; N682-F686 WeakPolarHBondContact O-CD2 3.37Å; N682-F686 PolarHBondContact O-N 2.72Å; V683-F686 PolarHBondContact O-N 3.01Å; F686-L689 PolarHBondContact O-N 3.05Å; F686-Y690 WeakPolarHBondContact O-CB 3.15Å; F686-Y690 PolarHBondContact O-N 3.14Å
687	A	86.8	Confident	80.9	Confident	54 Å²	54	119.2 Å²	119.2	45%	0.446	57%	0.57	S	S	.	*	H	α-helix	trans	-62.7	-42.4	175.2	0	0	0	0	0	112.1	V683 L684 Y690 Y691	V683-A687 WeakPolarHBondContact O-CB 3.43Å; V683-A687 PolarHBondContact O-N 3.03Å; L684-A687 PolarHBondContact O-N 2.7Å; A687-Y690 PolarHBondContact O-N 2.88Å; A687-Y691 WeakPolarHBondContact O-CB 3.4Å; A687-Y691 PolarHBondContact O-N 3.02Å
688	A	83.3	Confident	79.1	Confident	58 Å²	58	122.5 Å²	122.5	48%	0.479	58%	0.578	S	S	.	*	H	α-helix	trans	-66.4	-38	176.6	0	0	0	0	0	112.7	L684 A685 R692	L684-A688 VanDerWaalsContact O-CB 3.32Å; L684-A688 WeakPolarHBondContact O-CB 3.42Å; L684-A688 PolarHBondContact O-N 2.76Å; A685-A688 PolarHBondContact O-N 2.89Å; A688-R692 WeakPolarHBondContact O-CB 3.33Å; A688-R692 PolarHBondContact O-N 2.82Å
689	L	81.8	Confident	77	Confident	111 Å²	111	124.7 Å²	124.7	58%	0.581	59%	0.585	S	S	*	*	H	α-helix	trans	-66.7	-42.5	172.9	-73.9	170.5	0	0	0	111.8	A685 F686 R692 K693	A685-L689 WeakPolarHBondContact O-CB 3.16Å; A685-L689 WeakPolarHBondContact O-CG 3.34Å; A685-L689 PolarHBondContact O-N 3.17Å; F686-L689 PolarHBondContact O-N 3.05Å; L689-R692 PolarHBondContact O-N 3.48Å; L689-K693 WeakPolarHBondContact O-CB 3.41Å; L689-K693 PolarHBondContact O-N 2.62Å
690	Y	82.9	Confident	74.8	Confident	170 Å²	170	124.4 Å²	124.4	67%	0.667	59%	0.59	S	S	*	*	H	α-helix	trans	-62.5	-47	175.7	-169.8	-87.3	0	0	0	111.3	F686 A687 R692 K693 D694	F686-Y690 WeakPolarHBondContact O-CB 3.15Å; F686-Y690 PolarHBondContact O-N 3.14Å; A687-Y690 PolarHBondContact O-N 2.88Å; Y690-R692 PolarHBondContact O-N 3.37Å; Y690-K693 WeakPolarHBondContact O-CB 3.48Å; Y690-K693 PolarHBondContact O-N 3.48Å; Y690-K693 VanDerWaalsContact O-N 3.07Å; Y690-D694 PolarHBondContact O-N 2.99Å
691	Y	78.3	Confident	72.4	Confident	164 Å²	164	125.8 Å²	125.8	64%	0.643	60%	0.603	S	S	*	*	H	α-helix	trans	-63.9	-37.7	177	-169.8	-101.1	0	0	0	112.5	A687 K693 D694 K695	A687-Y691 WeakPolarHBondContact O-CB 3.4Å; A687-Y691 PolarHBondContact O-N 3.02Å; Y691-K693 VanDerWaalsContact C-N 3.35Å; Y691-D694 PolarHBondContact O-N 3.25Å; Y691-K695 VanDerWaalsContact O-CB 3.32Å; Y691-K695 WeakPolarHBondContact O-CB 3.43Å; Y691-K695 PolarHBondContact O-N 2.95Å
692	R	76.7	Confident	69.8	Low	191 Å²	191	131.5 Å²	131.5	72%	0.721	62%	0.617	S	S	*	*	H	α-helix	trans	-63.8	-36.7	170.2	-93	-176.4	160.7	-172.5	-4.2	112.9	A688 L689 Y690 R696	A688-R692 WeakPolarHBondContact O-CB 3.33Å; A688-R692 PolarHBondContact O-N 2.82Å; L689-R692 PolarHBondContact O-N 3.48Å; Y690-R692 PolarHBondContact O-N 3.37Å; R692-R696 WeakPolarHBondContact O-CG 3.12Å; R692-R696 PolarHBondContact O-N 2.89Å
693	K	74.9	Confident	67.5	Low	146 Å²	146	136 Å²	136	64%	0.635	64%	0.635	S	S	*	*	H	α-helix	trans	-70.1	-40.4	177.6	-174.4	177.4	-179.9	178.6	0	111.6	L689 Y690 Y691	L689-K693 WeakPolarHBondContact O-CB 3.41Å; L689-K693 PolarHBondContact O-N 2.62Å; Y690-K693 WeakPolarHBondContact O-CB 3.48Å; Y690-K693 PolarHBondContact O-N 3.48Å; Y690-K693 VanDerWaalsContact O-N 3.07Å; Y691-K693 VanDerWaalsContact C-N 3.35Å
694	D	72.6	Confident	64.8	Low	55 Å²	55	137.8 Å²	137.8	29%	0.294	65%	0.649	S	S	.	*	H	α-helix	trans	-74.8	-40.3	178.7	-163.8	59.5	0	0	0	112.4	Y690 Y691 R696 R697 Q698	Y690-D694 PolarHBondContact O-N 2.99Å; Y691-D694 PolarHBondContact O-N 3.25Å; D694-R696 PolarHBondContact O-N 3.06Å; D694-R697 WeakPolarHBondContact O-CA 3.28Å; D694-R697 WeakPolarHBondContact O-CB 3.17Å; D694-R697 PolarHBondContact O-N 2.91Å; D694-Q698 PolarHBondContact O-N 2.99Å; D694-Q698 PolarHBondContact OD2-NE2 3.22Å
695	K	63.8	Low	62.1	Low	128 Å²	128	138.8 Å²	138.8	56%	0.557	66%	0.663	S	S	*	*	H	α-helix	trans	-59.1	-31.6	173.4	-171.4	168	-178.2	173.9	0	112.7	Y691 R697 Q698	Y691-K695 VanDerWaalsContact O-CB 3.32Å; Y691-K695 WeakPolarHBondContact O-CB 3.43Å; Y691-K695 PolarHBondContact O-N 2.95Å; K695-R697 VanDerWaalsContact C-N 3.26Å; K695-R697 PolarHBondContact O-N 2.84Å; K695-Q698 PolarHBondContact O-N 3.12Å
696	R	59.3	Low	60	Low	222 Å²	222	142.6 Å²	142.6	84%	0.838	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-11.8	171.2	-78.6	-175.2	175.6	-168	-0.5	114.8	R692 D694	R692-R696 WeakPolarHBondContact O-CG 3.12Å; R692-R696 PolarHBondContact O-N 2.89Å; D694-R696 PolarHBondContact O-N 3.06Å
697	R	57.2	Low	57.3	Low	208 Å²	208	145.1 Å²	145.1	79%	0.785	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-12.7	170.3	-72.2	-179.2	158.5	-167.9	-8.4	113.2	D694 K695	D694-R697 WeakPolarHBondContact O-CA 3.28Å; D694-R697 WeakPolarHBondContact O-CB 3.17Å; D694-R697 PolarHBondContact O-N 2.91Å; K695-R697 VanDerWaalsContact C-N 3.26Å; K695-R697 PolarHBondContact O-N 2.84Å
698	Q	51.5	Low	54.6	Low	138 Å²	138	154.5 Å²	154.5	65%	0.645	72%	0.721	S	S	*	*	S	Bend	trans	-105.7	14.8	-173.2	-61.7	-169.2	20.8	0	0	114.6	D694 K695 P700	D694-Q698 PolarHBondContact O-N 2.99Å; D694-Q698 PolarHBondContact OD2-NE2 3.22Å; K695-Q698 PolarHBondContact O-N 3.12Å; Q698-P700 VanDerWaalsContact O-CD 3.24Å; Q698-P700 WeakPolarHBondContact O-CD 3.39Å
699	E	42.6	Very low	52	Low	148 Å²	148	155.4 Å²	155.4	69%	0.692	74%	0.736	S	S	*	*			trans	-100.6	103.5	170.5	-75.4	-169.8	150.5	0	0	111.7	L701	E699-L701 PolarHBondContact O-N 3.47Å
700	P	44.1	Very low	49.5	Very low	112 Å²	112	155.3 Å²	155.3	73%	0.727	75%	0.752	S	S	*	*			trans	-91.3	95	176.8	34.4	-33.3	0	0	0	111.7	Q698 R702	Q698-P700 VanDerWaalsContact O-CD 3.24Å; Q698-P700 WeakPolarHBondContact O-CD 3.39Å; P700-R702 PolarHBondContact O-N 3.25Å
701	L	39.1	Very low	46.9	Very low	162 Å²	162	151.2 Å²	151.2	85%	0.848	76%	0.761	S	S	*	*			trans	-84.8	90.6	162.8	-75	162.7	0	0	0	108.4	E699	E699-L701 PolarHBondContact O-N 3.47Å
702	R	33.7	Very low	44.6	Very low	225 Å²	225	148.1 Å²	148.1	85%	0.849	77%	0.769	S	S	*	*				47.9	89.8	88.3	-75.1	-174	166.9	-176.7	-3.2	113.4	P700	P700-R702 PolarHBondContact O-N 3.25Å
703	Q	34.4	Very low	43.1	Very low	195 Å²	195	143.9 Å²	143.9	91%	0.911	77%	0.767	S	S	*	*			trans	-67	146.3	156.3	-67.4	174.2	-35.1	0	0	110.7
704	P	35.3	Very low	41	Very low	121 Å²	121	145.2 Å²	145.2	79%	0.786	78%	0.775	S	S	*	*			trans	-116.6	132.5	149	32.6	-21.9	0	0	0	111.4
705	S	31.6	Very low	39.1	Very low	110 Å²	110	150.2 Å²	150.2	77%	0.769	80%	0.801	S	S	*	*			trans	-73.3	155.8	174.4	-51.3	0	0	0	0	111.9
706	P	42.1	Very low	37.3	Very low	129 Å²	129	147.8 Å²	147.8	84%	0.838	81%	0.812	S	S	*	*			trans	-77.3	149.2	-172	30.9	-36.2	0	0	0	114.1
707	Q	30.6	Very low	35.8	Very low	200 Å²	200	142.3 Å²	142.3	94%	0.935	81%	0.814	S	S	*	*			trans	-112.3	166.4	163.7	-86.7	-167.6	-18.2	0	0	111.7
708	R	29.9	Very low	34.3	Very low	251 Å²	251	136.9 Å²	136.9	95%	0.947	81%	0.814	S	S	*	*			trans	-130.2	106.8	-153.8	-170.9	-174.2	-165.6	179	5.3	113
709	G	28.6	Very low	34.1	Very low	77 Å²	77	134.8 Å²	134.8	79%	0.794	81%	0.812	S	S	*	*			trans	77.6	130.6	149.9	0	0	0	0	0	119.5
710	A	29.8	Very low	33.7	Very low	110 Å²	110	135.1 Å²	135.1	91%	0.909	81%	0.814	S	S	*	*			trans	176.6	140.7	131.4	0	0	0	0	0	110
711	G	28	Very low	33.3	Very low	84 Å²	84	137.4 Å²	137.4	87%	0.866	82%	0.815	S	S	*	*			trans	122.1	94.8	169.5	0	0	0	0	0	115.8
712	A	30	Very low	32.8	Very low	98 Å²	98	136.6 Å²	136.6	81%	0.81	81%	0.807	S	S	*	*			trans	-115.5	176	159.2	0	0	0	0	0	107.3
713	P	46.2	Very low	32.8	Very low	103 Å²	103	132.8 Å²	132.8	67%	0.669	80%	0.802	S	S	*	*			cis	-143.9	174.4	47	42.1	-22.9	0	0	0	117.4
714	E	31.7	Very low	32.7	Very low	173 Å²	173	127.4 Å²	127.4	81%	0.808	79%	0.791	S	S	*	*			trans	60.5	143.7	142.6	-78.4	165.7	-160.6	0	0	121.1
715	L	31.1	Very low	32.5	Very low	161 Å²	161	125.9 Å²	125.9	84%	0.843	79%	0.789	S	S	*	*			cis	-131.4	168.7	-6.3	-65.4	93.6	0	0	0	108
716	G	27.2	Very low	32.3	Very low	76 Å²	76	127.6 Å²	127.6	78%	0.784	79%	0.789	S	S	*	*			cis	135.3	74.6	-1.8	0	0	0	0	0	113.8
717	A	27.2	Very low	31.7	Very low	107 Å²	107	130.6 Å²	130.6	88%	0.884	79%	0.792	S	S	*	*			trans	-160.6	148.1	166.1	0	0	0	0	0	112.3
718	A	26.2	Very low	31.6	Very low	94 Å²	94	128.7 Å²	128.7	78%	0.777	79%	0.787	S	S	*	*			trans	-151.8	-171	178.7	0	0	0	0	0	107.4
719	P	46.8	Very low	31.4	Very low	94 Å²	94	120 Å²	120	61%	0.61	78%	0.776	S	S	*	*			cis	-146.9	-158	7.3	47.7	-27.6	0	0	0	116.4
720	E	34.1	Very low	32.4	Very low	155 Å²	155	121.9 Å²	121.9	72%	0.724	77%	0.774	S	S	*	*			trans	60.1	156.6	161.4	-86.6	57	-71.4	0	0	119.7
721	E	34.9	Very low	32.4	Very low	160 Å²	160	122.8 Å²	122.8	75%	0.748	77%	0.768	S	S	*	*			cis	-157.3	179	-26.9	-127.2	-177.8	159.4	0	0	106.1
722	E	30.4	Very low	32.5	Very low	145 Å²	145	126.3 Å²	126.3	68%	0.678	76%	0.762	S	S	*	*			cis	-140.3	179.7	9.9	-133.6	-134.3	109.2	0	0	105.9	A724	E722-A724 PolarHBondContact OE1-N 3.48Å
723	L	32.5	Very low	32.4	Very low	145 Å²	145	129.4 Å²	129.4	76%	0.759	76%	0.759	S	S	*	*			cis	68.4	160.6	23.1	-78.4	164.9	0	0	0	115.1
724	A	32.9	Very low	31.6	Very low	82 Å²	82	131.7 Å²	131.7	68%	0.678	76%	0.761	S	S	*	*			cis	-132.8	-162.7	-26.9	0	0	0	0	0	107.9	E722	E722-A724 PolarHBondContact OE1-N 3.48Å
725	A	30.1	Very low	31.3	Very low	90 Å²	90	128.6 Å²	128.6	74%	0.744	76%	0.757	S	S	*	*			cis	-155.8	160.6	-5.5	0	0	0	0	0	106.3
726	L	28.8	Very low	31	Very low	145 Å²	145	129.6 Å²	129.6	76%	0.759	76%	0.758	S	S	*	*			cis	88.2	95.4	21.1	-151.9	-172.7	0	0	0	115.5	L728	L726-L728 HydrophobicContact CD2-CD1 4.09Å
727	Q	27.9	Very low	31	Very low	192 Å²	192	130.7 Å²	130.7	90%	0.897	76%	0.759	S	S	*	*			trans	-159.7	166.7	163.2	-114.2	165.3	29.5	0	0	116.5
728	L	29.6	Very low	30.9	Very low	161 Å²	161	129.2 Å²	129.2	84%	0.843	75%	0.754	S	S	*	*			trans	-143.4	171.8	-167.9	-72.7	97.9	0	0	0	111.2	L726	L726-L728 HydrophobicContact CD2-CD1 4.09Å
729	G	25	Very low	31.3	Very low	69 Å²	69	130.6 Å²	130.6	71%	0.711	76%	0.755	S	S	*	*			cis	-168	-90.4	11.1	0	0	0	0	0	117.8
730	P	51	Low	31.2	Very low	115 Å²	115	130.9 Å²	130.9	75%	0.747	76%	0.757	S	S	*	*			trans	-133.7	-173.7	-132.3	40.9	-24.5	0	0	0	119.2
731	T	29.6	Very low	30.9	Very low	130 Å²	130	132 Å²	132	80%	0.798	76%	0.762	S	S	*	*			trans	98.8	148.4	166.9	69.8	0	0	0	0	118.1
732	H	28.6	Very low	30.5	Very low	157 Å²	157	131 Å²	131	73%	0.727	76%	0.762	S	S	*	*			cis	-166.8	-179.8	-37.9	-137.8	-99.1	0	0	0	112.1
733	H	28.5	Very low	30.4	Very low	163 Å²	163	131.1 Å²	131.1	76%	0.755	77%	0.772	S	S	*	*			trans	99.1	128.9	178.9	-61.4	-58.9	0	0	0	115.4
734	E	28.9	Very low	30.1	Very low	151 Å²	151	131.8 Å²	131.8	71%	0.706	78%	0.776	S	S	*	*			cis	81.6	130.1	38.6	-64.4	174.5	138.9	0	0	113.7
735	C	26.8	Very low	29.7	Very low	108 Å²	108	139.6 Å²	139.6	73%	0.73	79%	0.788	S	S	*	*			cis	-144.6	-168.9	2	-127.6	0	0	0	0	109.5
736	E	24.9	Very low	29.6	Very low	183 Å²	183	142.7 Å²	142.7	86%	0.855	79%	0.791	S	S	*	*			cis	-148	-152.7	15.3	-154.3	156.2	-89.7	0	0	111.4
737	A	26.8	Very low	29.6	Very low	99 Å²	99	142.7 Å²	142.7	82%	0.818	80%	0.798	S	S	*	*			trans	-151.3	162	-169.6	0	0	0	0	0	116.5
738	G	24.1	Very low	29.4	Very low	75 Å²	75	138 Å²	138	77%	0.773	79%	0.792	S	S	*	*			trans	-170.2	114.8	173.3	0	0	0	0	0	114.2
739	P	36.2	Very low	29.2	Very low	123 Å²	123	137.9 Å²	137.9	80%	0.799	79%	0.791	S	S	*	*			trans	-125.4	-164.8	-173.3	46.4	-35	0	0	0	112.9
740	P	43.5	Very low	29.4	Very low	100 Å²	100	139.9 Å²	139.9	65%	0.649	79%	0.792	S	S	*	*			cis	-127.6	174.9	-16.5	40.7	-26.4	0	0	0	114.3
741	H	28.2	Very low	28.1	Very low	178 Å²	178	141.3 Å²	141.3	82%	0.824	79%	0.793	S	S	*	*				-177.1	156.4	120.5	-100.1	-59.5	0	0	0	112.8
742	D	26.5	Very low	28.1	Very low	140 Å²	140	145.8 Å²	145.8	75%	0.749	80%	0.797	S	S	*	*			trans	-79.2	145.2	-165.2	-55.5	-95.1	0	0	0	116.1
743	T	27.2	Very low	28	Very low	147 Å²	147	143.9 Å²	143.9	90%	0.902	80%	0.796	S	S	*	*				-158.9	146.3	114.6	3.1	0	0	0	0	112.3
744	L	27.3	Very low	28.1	Very low	159 Å²	159	144.1 Å²	144.1	83%	0.832	80%	0.802	S	S	*	*			trans	-73.7	130.9	-177.6	-71.1	145.7	0	0	0	112.2
745	R	25.2	Very low	28	Very low	247 Å²	247	142.7 Å²	142.7	93%	0.932	80%	0.804	S	S	*	*			trans	-124.5	109.8	149.5	-85.2	-169.3	170.1	-166.7	-2.6	109.2
746	L	26.6	Very low	28.3	Very low	154 Å²	154	145.3 Å²	145.3	81%	0.806	81%	0.81	S	S	*	*			trans	-66.5	146.8	161.6	-94.2	74.8	0	0	0	109.2
747	T	28.8	Very low	28.9	Very low	146 Å²	146	146.6 Å²	146.6	90%	0.896	81%	0.807	S	S	*	*			trans	-69.3	132.7	167.5	38.1	0	0	0	0	110.3
748	A	25	Very low	29.6	Very low	94 Å²	94	148 Å²	148	78%	0.777	79%	0.791	S	S	*	*			trans	-124.6	143.9	167.8	0	0	0	0	0	108.6
749	L	25.6	Very low	30.5	Very low	158 Å²	158	145.5 Å²	145.5	83%	0.827	76%	0.762	S	S	*	*			trans	-74.3	151.4	175.8	-74.9	77.5	0	0	0	109.8	D751	L749-D751 PolarHBondContact O-N 3.06Å
750	P	28.8	Very low	30.9	Very low	111 Å²	111	140.7 Å²	140.7	72%	0.721	73%	0.73	S	S	*	*			trans	-72.5	107.4	172.8	29.2	-33	0	0	0	110.6	Y752	P750-Y752 PolarHBondContact O-N 2.67Å
751	D	23.6	Very low	30.9	Very low	145 Å²	145	138.9 Å²	138.9	78%	0.775	72%	0.715	S	S	*	*			trans	-66.7	114.6	173.7	-92.6	-43.5	0	0	0	111.2	L749 T753	L749-D751 PolarHBondContact O-N 3.06Å; D751-T753 PolarHBondContact O-N 2.87Å
752	Y	29.3	Very low	31.6	Very low	224 Å²	224	135.1 Å²	135.1	88%	0.878	70%	0.701	S	S	*	*			trans	-78.5	67	173.1	-98.8	-99	0	0	0	111.1	P750	P750-Y752 PolarHBondContact O-N 2.67Å
753	T	27	Very low	32.7	Very low	116 Å²	116	130 Å²	130	71%	0.712	67%	0.674	S	S	*	*			trans	-84.8	116.8	170.1	50.7	0	0	0	0	110.6	D751 T755	D751-T753 PolarHBondContact O-N 2.87Å; T753-T755 PolarHBondContact O-N 3.48Å
754	L	31	Very low	33.1	Very low	168 Å²	168	126.3 Å²	126.3	88%	0.88	65%	0.652	S	S	*	*			trans	-60.8	103.9	-176.3	-73.9	150.5	0	0	0	112.5	L756	L754-L756 PolarHBondContact O-N 3.12Å
755	T	26.3	Very low	33.8	Very low	122 Å²	122	121.7 Å²	121.7	75%	0.748	63%	0.628	S	S	*	*			trans	-72.1	114	155.3	43.5	0	0	0	0	108.9	T753 R757	T753-T755 PolarHBondContact O-N 3.48Å; T755-R757 VanDerWaalsContact C-N 3.3Å; T755-R757 PolarHBondContact O-N 2.8Å
756	L	31.6	Very low	34.3	Very low	163 Å²	163	115.4 Å²	115.4	85%	0.853	61%	0.61	S	S	*	*			trans	-70.9	85.6	174.3	-90.4	141.1	0	0	0	109.9	L754 R758	L754-L756 PolarHBondContact O-N 3.12Å; L756-R758 PolarHBondContact O-N 3.17Å
757	R	38.9	Very low	34.6	Very low	210 Å²	210	112.7 Å²	112.7	79%	0.792	60%	0.6	S	S	*	*			trans	-60.3	99	160.6	-69.3	-175.8	176.4	-170.2	-2.7	108.1	T755	T755-R757 VanDerWaalsContact C-N 3.3Å; T755-R757 PolarHBondContact O-N 2.8Å
758	R	41.8	Very low	34.7	Very low	129 Å²	129	111.1 Å²	111.1	49%	0.487	59%	0.592	S	S	.	*			trans	-62.1	137.1	164.3	-69.9	-177.2	-177.6	159	1.2	108.4	D420 L756 D762	D420-R758 IonicContact OD2-NH1 3.77Å; L756-R758 PolarHBondContact O-N 3.17Å; R758-D762 HydrophobicContact CB-CB 4.11Å
759	S	42.9	Very low	35	Very low	22 Å²	22	113.9 Å²	113.9	15%	0.154	59%	0.594	C	S	.	*			trans	-65.2	154.9	165.5	-170.3	0	0	0	0	109.7	D761 D762	S759-D761 PolarHBondContact O-N 2.9Å; S759-D761 VanDerWaalsContact OG-CG 3.26Å; S759-D761 PolarHBondContact OG-N 2.88Å; S759-D761 PolarHBondContact OG-OD2 3.08Å; S759-D762 WeakPolarHBondContact CB-OD2 3.26Å; S759-D762 PolarHBondContact N-OD2 2.68Å; S759-D762 PolarHBondContact O-N 3.02Å
760	P	43.5	Very low	35.4	Very low	22 Å²	22	110.1 Å²	110.1	14%	0.143	58%	0.578	C	S	.	*	T	Hydrogen-bonded Turn	trans	-55.7	-12.3	159.5	-24.5	35.7	0	0	0	113.9	K432 A436 R577	K432-P760 HydrophobicContact CB-CG 4.47Å; A436-P760 HydrophobicContact CB-CB 4.43Å; R577-P760 VanDerWaalsContact NH1-C 3.29Å; R577-P760 PolarHBondContact NH1-O 2.88Å; R577-P760 VanDerWaalsContact NH1-O 3.07Å
761	D	44.6	Very low	35.5	Very low	62 Å²	62	111.6 Å²	111.6	33%	0.332	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.4	-25.3	170.7	-43.8	-52	0	0	0	113	Y467 R577 S759	Y467-D761 WeakPolarHBondContact CE1-OD2 3.39Å; Y467-D761 VanDerWaalsContact OH-CG 3.31Å; Y467-D761 PolarHBondContact OH-OD2 2.71Å; R577-D761 WeakPolarHBondContact CD-OD1 2.91Å; R577-D761 VanDerWaalsContact CG-OD1 3.28Å; R577-D761 WeakPolarHBondContact CG-OD1 3.2Å; R577-D761 IonicContact CZ-OD1 3.95Å; R577-D761 IonicContact NE-OD1 2.68Å; R577-D761 IonicContact NH1-OD1 3.97Å; R577-D761 PolarHBondContact NH1-OD1 2.93Å; S759-D761 PolarHBondContact O-N 2.9Å; S759-D761 VanDerWaalsContact OG-CG 3.26Å; S759-D761 PolarHBondContact OG-N 2.88Å; S759-D761 PolarHBondContact OG-OD2 3.08Å
762	D	42.7	Very low	36	Very low	99 Å²	99	110.6 Å²	110.6	53%	0.529	58%	0.578	S	S	.	*	S	Bend	trans	-92.7	5.6	-174.3	-61.2	-52.7	0	0	0	112.9	R758 S759 P764	R758-D762 HydrophobicContact CB-CB 4.11Å; S759-D762 WeakPolarHBondContact CB-OD2 3.26Å; S759-D762 PolarHBondContact N-OD2 2.68Å; S759-D762 PolarHBondContact O-N 3.02Å; D762-P764 WeakPolarHBondContact O-CD 3.29Å
763	I	48.4	Very low	36	Very low	33 Å²	33	108.5 Å²	108.5	17%	0.169	58%	0.578	C	S	.	*			trans	-71	110.5	-179.5	-64	175.6	0	0	0	109.1	D420 T433 L765	D420-I763 HydrophobicContact CB-CG2 3.89Å; T433-I763 HydrophobicContact CG2-CD1 3.61Å; I763-L765 PolarHBondContact O-N 2.73Å
764	P	36.9	Very low	36.1	Very low	69 Å²	69	109.9 Å²	109.9	45%	0.448	58%	0.579	S	S	.	*			trans	-84.6	103.7	-172.2	33.1	-29.6	0	0	0	110.2	D762 M766	D762-P764 WeakPolarHBondContact O-CD 3.29Å; P764-M766 PolarHBondContact O-N 2.89Å
765	L	41	Very low	36	Very low	61 Å²	61	106.7 Å²	106.7	32%	0.319	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-58	138	161.1	-70.3	173.6	0	0	0	108.9	M417 T579 I763	M417-L765 HydrophobicContact CE-CD1 4.09Å; M417-L765 HydrophobicContact SD-CD1 4.35Å; T579-L765 HydrophobicContact CG2-CD1 3.91Å; I763-L765 PolarHBondContact O-N 2.73Å
766	M	36.9	Very low	36.2	Very low	115 Å²	115	109 Å²	109	57%	0.567	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-60.9	143.6	-173.2	-68	-156.3	-177.8	0	0	111.9	W421 P764 T770	W421-M766 HydrophobicContact CB-CE 4.26Å; P764-M766 PolarHBondContact O-N 2.89Å; M766-T770 HydrophobicContact SD-CG2 3.74Å
767	T	31.6	Very low	36.4	Very low	98 Å²	98	106 Å²	106	60%	0.601	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-63.2	154.3	172.1	53.9	0	0	0	0	110.4	N769 T770	T767-N769 PolarHBondContact O-N 3.01Å; T767-T770 PolarHBondContact O-N 2.92Å; T767-T770 PolarHBondContact O-OG1 3.34Å
768	P	32	Very low	36.1	Very low	112 Å²	112	104.3 Å²	104.3	73%	0.727	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-58.9	-10.6	-169.9	-28.6	36.6	0	0	0	116.8
769	N	31.6	Very low	35.6	Very low	153 Å²	153	105.6 Å²	105.6	82%	0.818	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-86.4	-0.3	-173	-64.7	-6.6	0	0	0	114.4	T767	T767-N769 PolarHBondContact O-N 3.01Å
770	T	32.5	Very low	35.3	Very low	78 Å²	78	108 Å²	108	48%	0.479	63%	0.625	S	S	.	*	G	3₁₀ helix	trans	-105.4	10.7	-174.6	-27.7	0	0	0	0	114.1	M766 T767 T772	M766-T770 HydrophobicContact SD-CG2 3.74Å; T767-T770 PolarHBondContact O-N 2.92Å; T767-T770 PolarHBondContact O-OG1 3.34Å; T770-T772 PolarHBondContact O-N 2.91Å
771	I	31.8	Very low	34.6	Very low	143 Å²	143	115.5 Å²	115.5	73%	0.733	66%	0.663	S	S	*	*			trans	-80.9	83.3	178.7	-52.5	-180	0	0	0	110.4
772	T	32.9	Very low	33.9	Very low	124 Å²	124	121.6 Å²	121.6	76%	0.761	69%	0.689	S	S	*	*			trans	-135.7	62.9	169.4	60.1	0	0	0	0	112.8	T770	T770-T772 PolarHBondContact O-N 2.91Å
773	M	29.7	Very low	33.2	Very low	179 Å²	179	123.1 Å²	123.1	88%	0.882	70%	0.702	S	S	*	*			trans	-150.3	105.9	150.9	-84.5	-132.8	-68.9	0	0	109.8
774	I	29.8	Very low	32.3	Very low	145 Å²	145	129.7 Å²	129.7	74%	0.744	74%	0.737	S	S	*	*			trans	-100.3	122.7	170.7	-63	172.9	0	0	0	107.4	N776	I774-N776 PolarHBondContact O-N 2.5Å
775	P	28.1	Very low	31.9	Very low	102 Å²	102	134.2 Å²	134.2	66%	0.662	75%	0.752	S	S	*	*			trans	-64.7	126.9	167.1	-19.4	32.7	0	0	0	110.3	S777	P775-S777 PolarHBondContact O-N 3.43Å
776	N	31.3	Very low	31.4	Very low	171 Å²	171	137 Å²	137	91%	0.914	77%	0.774	S	S	*	*	S	Bend	trans	-74.9	66	-179	-83.7	-26.6	0	0	0	112.3	I774	I774-N776 PolarHBondContact O-N 2.5Å
777	S	35.9	Very low	31	Very low	99 Å²	99	142.5 Å²	142.5	69%	0.692	79%	0.79	S	S	*	*			trans	-154.3	47.4	-179.8	64.1	0	0	0	0	113.9	P775	P775-S777 PolarHBondContact O-N 3.43Å
778	L	32.6	Very low	30.7	Very low	174 Å²	174	144.2 Å²	144.2	91%	0.911	80%	0.795	S	S	*	*			trans	-161.5	101.8	162.8	-107.4	164.7	0	0	0	109.6
779	V	30.5	Very low	30.5	Very low	157 Å²	157	145.7 Å²	145.7	95%	0.952	80%	0.803	S	S	*	*			trans	-112.1	118.5	175.5	177.1	0	0	0	0	108.8
780	G	36.3	Very low	30.2	Very low	72 Å²	72	147.9 Å²	147.9	74%	0.742	81%	0.805	S	S	*	*			trans	123	69.8	167.9	0	0	0	0	0	115.9
781	L	29.1	Very low	29.8	Very low	179 Å²	179	148.8 Å²	148.8	94%	0.937	82%	0.82	S	S	*	*			trans	-141.4	140.8	154.4	-105.8	166.7	0	0	0	108.7
782	Q	30.9	Very low	29.6	Very low	190 Å²	190	146.8 Å²	146.8	89%	0.888	83%	0.825	S	S	*	*			trans	-83.4	147.5	-173.7	-68.6	176.4	-62.2	0	0	111.7	L784	Q782-L784 PolarHBondContact O-N 2.82Å
783	T	27.9	Very low	29.2	Very low	131 Å²	131	144.5 Å²	144.5	80%	0.804	83%	0.826	S	S	*	*			trans	-70	109.2	176	49.5	0	0	0	0	111.1
784	L	28.4	Very low	29	Very low	171 Å²	171	146 Å²	146	90%	0.895	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-75.7	134.9	165.4	-76.2	167.1	0	0	0	110	Q782	Q782-L784 PolarHBondContact O-N 2.82Å
785	H	29.8	Very low	28.7	Very low	164 Å²	164	146.9 Å²	146.9	76%	0.759	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-73.7	145.3	177.7	-75	-87	0	0	0	111.6
786	P	30.6	Very low	28.8	Very low	120 Å²	120	146.7 Å²	146.7	78%	0.779	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-67.9	133.4	169.7	29.6	-33.8	0	0	0	110.3
787	Y	27.7	Very low	28.6	Very low	230 Å²	230	145.8 Å²	145.8	90%	0.902	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-80.4	149.3	174.9	-103	-92.4	0	0	0	112.1
788	N	25.7	Very low	28.1	Very low	135 Å²	135	144.8 Å²	144.8	72%	0.722	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-67.4	142.2	-173.5	-65.3	-57.9	0	0	0	113.3	F790	N788-F790 HydrophobicContact CB-CD2 4.49Å; N788-F790 HydrophobicContact CB-CE2 4.45Å
789	T	26.8	Very low	28	Very low	143 Å²	143	144.6 Å²	144.6	88%	0.877	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-69	139.3	156.5	41.2	0	0	0	0	110.2
790	F	25.2	Very low	28.3	Very low	199 Å²	199	142.2 Å²	142.2	87%	0.873	83%	0.828	S	S	*	*			trans	-119	146.5	165.9	-98.9	-84.2	0	0	0	110.5	N788	N788-F790 HydrophobicContact CB-CD2 4.49Å; N788-F790 HydrophobicContact CB-CE2 4.45Å
791	A	25.6	Very low	27.9	Very low	96 Å²	96	146.7 Å²	146.7	79%	0.793	83%	0.83	S	S	*	*			trans	-85.2	159.5	-166.9	0	0	0	0	0	113.6
792	A	26.7	Very low	28	Very low	102 Å²	102	143.3 Å²	143.3	84%	0.843	82%	0.821	S	S	*	*			trans	-67.6	144.1	175.1	0	0	0	0	0	112.5
793	G	24.4	Very low	27.9	Very low	76 Å²	76	142.7 Å²	142.7	78%	0.784	82%	0.818	S	S	*	*			trans	-141.2	113	170.1	0	0	0	0	0	110.5
794	F	25.9	Very low	27.9	Very low	209 Å²	209	141.6 Å²	141.6	92%	0.917	82%	0.815	S	S	*	*			trans	-74.5	135.8	171.5	-87.8	-97.6	0	0	0	110.4
795	N	24.3	Very low	28	Very low	165 Å²	165	139.6 Å²	139.6	88%	0.882	81%	0.81	S	S	*	*			trans	-156.7	149.9	135.7	-125.3	-22.1	0	0	0	111.9
796	S	28.7	Very low	28.2	Very low	97 Å²	97	137.9 Å²	137.9	68%	0.678	81%	0.812	S	S	*	*			trans	-112.1	131.5	-173.4	56.7	0	0	0	0	112.3
797	T	27.8	Very low	28.4	Very low	153 Å²	153	143.2 Å²	143.2	94%	0.939	82%	0.816	S	S	*	*			trans	176.6	134.1	139.8	31.2	0	0	0	0	109.6
798	G	25.6	Very low	28.8	Very low	77 Å²	77	142.3 Å²	142.3	79%	0.794	83%	0.834	S	S	*	*			trans	144.9	86.6	165.2	0	0	0	0	0	115.7
799	L	29.4	Very low	28.9	Very low	171 Å²	171	142.7 Å²	142.7	90%	0.895	84%	0.84	S	S	*	*			trans	-73.5	146.2	149.4	-78.2	164.5	0	0	0	107.7
800	P	37.6	Very low	29	Very low	106 Å²	106	142.6 Å²	142.6	69%	0.688	84%	0.838	S	S	*	*				-148.4	152.6	95.3	36.8	-20	0	0	0	117.3
801	H	27.6	Very low	29.3	Very low	167 Å²	167	139.5 Å²	139.5	77%	0.773	84%	0.836	S	S	*	*			trans	60.2	128.1	149.2	-67.6	-55.4	0	0	0	123.2
802	S	30.7	Very low	29.5	Very low	107 Å²	107	142.1 Å²	142.1	75%	0.748	84%	0.838	S	S	*	*			trans	-52.5	138.1	157.6	51.7	0	0	0	0	113.8
803	H	28.6	Very low	29.6	Very low	178 Å²	178	144.6 Å²	144.6	82%	0.824	84%	0.838	S	S	*	*			trans	-108	129.6	154.1	-90.2	-90.6	0	0	0	110.2
804	S	28.7	Very low	30	Very low	107 Å²	107	149.1 Å²	149.1	75%	0.748	84%	0.841	S	S	*	*			trans	-94.9	133.4	167	173.1	0	0	0	0	108.4
805	T	30	Very low	30.3	Very low	130 Å²	130	144.9 Å²	144.9	80%	0.798	84%	0.836	S	S	*	*			trans	-134	92.4	173.2	43.7	0	0	0	0	110.4
806	T	35.2	Very low	30.7	Very low	128 Å²	128	143.3 Å²	143.3	79%	0.785	83%	0.832	S	S	*	*			trans	-68.4	125.9	159.3	-3.2	0	0	0	0	110.1
807	R	34.6	Very low	30.9	Very low	231 Å²	231	147.2 Å²	147.2	87%	0.872	85%	0.845	S	S	*	*			trans	-158.6	120	151.5	-99.6	131.8	-169.4	-127.2	-2.2	107.2
808	V	35.2	Very low	31.2	Very low	211 Å²	211	146.6 Å²	146.6	100%	1.279	84%	0.837	S	S	*	*				88.1	0	67.6	164.6	0	0	0	0	109.1

Retrieved 808 of 808 residues in 265.1 ms (Link to these results)

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