A0A087XZH1_POEFO Loading...

Sperm associated antigen 1

AlphaFold DB , UniProt , Accession A0A087XZH1, Species POEFO (Poecilia formosa, Amazon molly), Gene SPAG1, Length 922 aa.

						>A0A087XZH1_POEFO|A0A087XZH1|SPAG1
MSGEAVFPLQSSTAGFSTKVPVEHLDYDYIEKCKDVKYLEKILKILRSGEEGIYPHLIKFCESHLEKLNPNSRALRKENPVATEANFSKDEWNQIVDDLRTWAEETKKTETLLKEESMFEDLSDVKIPPIRSSNCFVPHNKTSLPKQTRNPSKRVVPRDYQEWDKFNVEEECGKVDGHLDPPARLNSGHLNIRREVDASCNSHQEKLLLANREKDKGNEAFRANDYEEAVAYYSRSLSIFPTVNAYNNRAQAQIRLEHWHNAMTDCLQVLELEPRNKKALLRRATVYYHMGKFQMASEDLRTVLQEEPNNPAAMGLICRIKEVGFRGNGVFLPESSTVRVQLGFSFSKVQPSQPVGGEESSAAPAERGDMGNAQKKPHSRGDGGPHTDTSNSHHGPWRGKGGTSDKYKVPEESKEKVANGSSKRGSTASAQGDKGTTGGEKAKETVNLDTPCGALPPHLSRLKNEGNLLFKNGQFADALEKYSQAIQGYTDSGMDSPEDLCILYSNRAACYLKDGNSQDCIQDCTRALELQPFSLKPLLRRAMAYETLERYRKAYVDYKTVLQIDISVQAAHDSVNRITRLLIEQDGPEWREKLPDIPLVPLSAQQHRREDPPSQQVLQARAEKASRDAERRAEVRFTALKQEGNDFVKKGQYQEALGKYAECLKLKPKECAIYTNRALCYLKLQRFGEAKQDCDAALELEPDNKKAFFRRALANKGLQDYLACSSDLQEVLQLDPNVQEAEKELEEVTVLLRQSLSSATQDKPRKTVAITEVDGEEVMTEAPNSESSCTGDNISINLKPSSAYEFGQSLNASRCCGNTAACAKLLTSTEPELLPQYLSNQLDGHTISFIVKALDSHLLEKKPDLAYRHLDQLHTADRFRVALMMLEKDERRYVTQLFERLSAVESAEFTKDDVQNLANKYI
					

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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	35.6	Very low	32.1	Very low	250 Å²	250	148.4 Å²	148.4	100%	1.232	86%	0.857	S	S	*	*				0	157.4	0	-78.7	174.1	136.1	0	0	108.2
2	S	32.9	Very low	31.9	Very low	131 Å²	131	146.3 Å²	146.3	92%	0.916	86%	0.857	S	S	*	*			trans	-76.2	155.9	-172	-43	0	0	0	0	113.4
3	G	30.8	Very low	31.8	Very low	77 Å²	77	145.4 Å²	145.4	79%	0.794	86%	0.855	S	S	*	*			trans	176.6	120.9	172.1	0	0	0	0	0	109.8
4	E	32.2	Very low	31.7	Very low	193 Å²	193	142.9 Å²	142.9	90%	0.902	86%	0.859	S	S	*	*			trans	-104.3	143.4	-163.2	-60.7	158	112.7	0	0	113.6
5	A	27.2	Very low	31.6	Very low	93 Å²	93	137.5 Å²	137.5	77%	0.769	85%	0.845	S	S	*	*			trans	174.9	134.8	132.9	0	0	0	0	0	110
6	V	30.3	Very low	31.8	Very low	122 Å²	122	142.5 Å²	142.5	74%	0.739	85%	0.852	S	S	*	*			cis	75.9	112.3	21.3	-179.7	0	0	0	0	112.9
7	F	29.2	Very low	32.1	Very low	191 Å²	191	139.6 Å²	139.6	84%	0.838	84%	0.84	S	S	*	*			cis	-153.5	-137.3	-6.7	-139.7	-47.8	0	0	0	111
8	P	47.9	Very low	32.8	Very low	101 Å²	101	137.7 Å²	137.7	66%	0.656	83%	0.829	S	S	*	*			trans	-105.3	-175	-145	44.2	-37.3	0	0	0	115.7
9	L	26.2	Very low	34.2	Very low	171 Å²	171	139.1 Å²	139.1	90%	0.895	82%	0.823	S	S	*	*			trans	-148.6	131.2	136.3	-113.8	165.2	0	0	0	111.9
10	Q	31.8	Very low	35.9	Very low	185 Å²	185	132.8 Å²	132.8	86%	0.864	79%	0.786	S	S	*	*			trans	-88.7	142.9	169.1	-68.2	173.5	-36.8	0	0	109.3
11	S	28.7	Very low	37.8	Very low	118 Å²	118	129.2 Å²	129.2	83%	0.825	77%	0.767	S	S	*	*			trans	-129.3	128.9	162	58	0	0	0	0	109.9
12	S	30.1	Very low	39.5	Very low	123 Å²	123	122.1 Å²	122.1	86%	0.86	74%	0.737	S	S	*	*			trans	-107.4	118.8	-178.4	45.6	0	0	0	0	110.3
13	T	30.1	Very low	41.4	Very low	135 Å²	135	123.8 Å²	123.8	83%	0.828	73%	0.73	S	S	*	*			trans	-122.5	103.1	171.4	42.9	0	0	0	0	109.8	G15	T13-G15 VanDerWaalsContact C-N 3.3Å; T13-G15 PolarHBondContact O-N 2.91Å
14	A	31.3	Very low	43.7	Very low	110 Å²	110	122 Å²	122	91%	0.909	70%	0.701	S	S	*	*			trans	-78.9	75.9	179.6	0	0	0	0	0	111.4
15	G	29.6	Very low	45.9	Very low	63 Å²	63	114 Å²	114	65%	0.649	66%	0.664	S	S	*	*			trans	-93.2	129.6	162.8	0	0	0	0	0	110.5	T13 S17	T13-G15 VanDerWaalsContact C-N 3.3Å; T13-G15 PolarHBondContact O-N 2.91Å; G15-S17 PolarHBondContact O-N 2.95Å
16	F	34.6	Very low	48.5	Very low	217 Å²	217	113.5 Å²	113.5	95%	0.952	65%	0.649	S	S	*	*			trans	-71.3	71.9	174.8	-90.7	-92.4	0	0	0	111.6	T18	F16-T18 PolarHBondContact O-N 3.25Å
17	S	37.7	Very low	51.2	Low	94 Å²	94	112.3 Å²	112.3	66%	0.657	63%	0.632	S	S	*	*			trans	-71.2	114.1	161.9	-175.5	0	0	0	0	108.5	G15 K19	G15-S17 PolarHBondContact O-N 2.95Å; S17-K19 PolarHBondContact O-N 2.96Å
18	T	43.8	Very low	53.8	Low	104 Å²	104	107.7 Å²	107.7	64%	0.638	62%	0.616	S	S	*	*			trans	-69.2	81.9	163.8	55.2	0	0	0	0	107.9	F16 V20	F16-T18 PolarHBondContact O-N 3.25Å; T18-V20 PolarHBondContact O-N 2.92Å
19	K	59.1	Low	55.5	Low	165 Å²	165	106.5 Å²	106.5	72%	0.717	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-51.9	125.9	175.1	-72.7	-163.2	171.1	-154.9	0	108.9	S17 P21	S17-K19 PolarHBondContact O-N 2.96Å; K19-P21 WeakPolarHBondContact O-CD 3.33Å
20	V	68.6	Low	58.3	Low	13 Å²	13	98.3 Å²	98.3	8%	0.079	56%	0.556	C	S	.	*	P	Polyproline II helix	trans	-68.2	126	165.3	172.7	0	0	0	0	106.3	T18 H24 L25 Y38 I42 I45	T18-V20 PolarHBondContact O-N 2.92Å; V20-H24 HydrophobicContact CG1-CB 3.67Å; V20-L25 HydrophobicContact CG1-CD2 4Å; V20-Y38 HydrophobicContact CG2-CE2 4.4Å; V20-I42 HydrophobicContact CG1-CG1 4.07Å; V20-I42 HydrophobicContact CG2-CG1 4.47Å; V20-I45 HydrophobicContact CB-CD1 3.85Å; V20-I45 HydrophobicContact CG2-CD1 3.57Å
21	P	75.6	Confident	60.8	Low	58 Å²	58	95.2 Å²	95.2	38%	0.377	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-54.8	141.9	173.5	-26	34.6	0	0	0	111	K19 E23 H24	K19-P21 WeakPolarHBondContact O-CD 3.33Å; P21-E23 PolarHBondContact O-N 3.41Å; P21-H24 WeakPolarHBondContact O-CB 3.46Å; P21-H24 PolarHBondContact O-N 2.85Å
22	V	71.5	Confident	63.4	Low	100 Å²	100	96.1 Å²	96.1	61%	0.606	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-59.7	-31.1	179.6	-176.5	0	0	0	0	111.2	H24 L25	V22-H24 PolarHBondContact O-N 3.42Å; V22-H24 VanDerWaalsContact O-N 3.15Å; V22-L25 WeakPolarHBondContact O-CB 3.44Å; V22-L25 PolarHBondContact O-N 3.12Å
23	E	73.8	Confident	65.8	Low	166 Å²	166	90.9 Å²	90.9	78%	0.776	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-58.5	-20.8	171.9	-62.9	170.7	-161.5	0	0	114.3	P21	P21-E23 PolarHBondContact O-N 3.41Å
24	H	78	Confident	68.2	Low	41 Å²	41	92.8 Å²	92.8	19%	0.19	49%	0.49	C	S	.	.	G	3₁₀ helix	trans	-90.9	-0.7	175.8	-63.1	-177.6	0	0	0	113	V20 P21 V22 D26 Y29 Y38	V20-H24 HydrophobicContact CG1-CB 3.67Å; P21-H24 WeakPolarHBondContact O-CB 3.46Å; P21-H24 PolarHBondContact O-N 2.85Å; V22-H24 PolarHBondContact O-N 3.42Å; V22-H24 VanDerWaalsContact O-N 3.15Å; H24-D26 VanDerWaalsContact C-N 3.31Å; H24-Y29 HydrophobicContact CB-CD1 3.71Å; H24-Y29 HydrophobicContact CB-CD2 4.37Å; H24-Y29 HydrophobicContact CB-CE1 3.65Å; H24-Y29 HydrophobicContact CB-CE2 4.31Å; H24-Y29 HydrophobicContact CB-CG 4.1Å; H24-Y29 AromaticContact CD2-CD2 3.6Å; H24-Y29 AromaticContact CD2-CE2 3.21Å; H24-Y29 WeakPolarHBondContact CD2-CE2 3.49Å; H24-Y29 AromaticContact CD2-CZ 3.52Å; H24-Y29 AromaticContact CE1-CE2 3.93Å; H24-Y29 AromaticContact CE1-CZ 3.71Å; H24-Y29 PolarHBondContact CE1-OH 3.22Å; H24-Y29 VanDerWaalsContact CE1-OH 3.29Å; H24-Y29 AromaticContact CG-CE1 3.67Å; H24-Y29 AromaticContact CG-CE2 3.63Å; H24-Y29 AromaticContact CG-CZ 3.41Å; H24-Y29 VanDerWaalsContact CG-CZ 3.41Å; H24-Y29 AromaticContact ND1-CE1 3.98Å; H24-Y29 AromaticContact ND1-CZ 3.53Å; H24-Y29 PolarHBondContact ND1-OH 3.39Å; H24-Y29 AromaticContact NE2-CE2 3.43Å; H24-Y29 WeakPolarHBondContact NE2-CE2 3.49Å; H24-Y29 AromaticContact NE2-CZ 3.7Å; H24-Y29 WeakPolarHBondContact O-CD1 3.48Å; H24-Y38 AromaticContact ND1-CE1 3.69Å; H24-Y38 AromaticContact ND1-CZ 3.74Å; H24-Y38 PolarHBondContact ND1-OH 2.91Å
25	L	77.9	Confident	70.7	Confident	24 Å²	24	91.7 Å²	91.7	13%	0.126	47%	0.469	C	S	.	.	S	Bend	trans	-96.4	29.1	175.9	-54.5	-178.7	0	0	0	112	V20 V22 I42 L46 E51 L57	V20-L25 HydrophobicContact CG1-CD2 4Å; V22-L25 WeakPolarHBondContact O-CB 3.44Å; V22-L25 PolarHBondContact O-N 3.12Å; L25-I42 HydrophobicContact CD2-CG2 3.96Å; L25-L46 HydrophobicContact CD2-CD2 4.27Å; L25-L46 HydrophobicContact CD2-CG 4.44Å; L25-E51 HydrophobicContact CD1-CB 4.45Å; L25-E51 HydrophobicContact CD1-CG 4.29Å; L25-L57 WeakPolarHBondContact O-CD2 3.2Å
26	D	83.3	Confident	73.2	Confident	83 Å²	83	90.4 Å²	90.4	44%	0.444	45%	0.449	S	S	.	.	S	Bend	trans	-108.7	150.2	176.9	-170.3	14.9	0	0	0	111.7	H24 D28 Y29 I30	H24-D26 VanDerWaalsContact C-N 3.31Å; D26-D28 PolarHBondContact O-N 3.19Å; D26-Y29 PolarHBondContact O-N 3.49Å; D26-Y29 VanDerWaalsContact O-N 3.09Å; D26-I30 WeakPolarHBondContact O-CG1 3.46Å; D26-I30 PolarHBondContact O-N 2.94Å
27	Y	85.9	Confident	75.5	Confident	97 Å²	97	87.4 Å²	87.4	38%	0.38	44%	0.435	S	S	.	.	H	α-helix	trans	-54.5	-44.6	176.1	-64.4	-90	0	0	0	111	Y29 I30 E31 H56 L57 F60	Y27-Y29 PolarHBondContact O-N 2.92Å; Y27-I30 PolarHBondContact O-N 3.18Å; Y27-E31 PolarHBondContact O-N 2.9Å; Y27-H56 WeakPolarHBondContact OH-CB 3.47Å; Y27-L57 HydrophobicContact CD1-CD1 3.85Å; Y27-L57 HydrophobicContact CD2-CD1 3.87Å; Y27-L57 HydrophobicContact CE1-CB 4.35Å; Y27-L57 HydrophobicContact CE1-CD1 3.8Å; Y27-L57 HydrophobicContact CE2-CD1 3.82Å; Y27-L57 HydrophobicContact CG-CD1 3.88Å; Y27-L57 PolarHBondContact OH-N 2.9Å; Y27-F60 HydrophobicContact CD1-CB 3.99Å; Y27-F60 AromaticContact CD1-CD1 3.63Å; Y27-F60 HydrophobicContact CD1-CD1 3.63Å; Y27-F60 HydrophobicContact CD1-CD2 4.06Å; Y27-F60 HydrophobicContact CD1-CE1 4.05Å; Y27-F60 HydrophobicContact CD1-CE2 4.43Å; Y27-F60 AromaticContact CD1-CG 3.63Å; Y27-F60 HydrophobicContact CD1-CG 3.63Å; Y27-F60 HydrophobicContact CD1-CZ 4.42Å; Y27-F60 HydrophobicContact CE1-CB 3.86Å; Y27-F60 HydrophobicContact CE1-CD1 4.37Å; Y27-F60 HydrophobicContact CE1-CD2 4.49Å; Y27-F60 HydrophobicContact CE1-CG 4.02Å; Y27-F60 HydrophobicContact CG-CD1 4.49Å
28	D	83.6	Confident	77.6	Confident	93 Å²	93	85.5 Å²	85.5	50%	0.497	41%	0.414	S	S	.	.	H	α-helix	trans	-62.6	-27.6	-179.8	-117.3	62.4	0	0	0	112.8	D26 K32	D26-D28 PolarHBondContact O-N 3.19Å; D28-K32 VanDerWaalsContact CG-NZ 3.33Å; D28-K32 VanDerWaalsContact O-CD 3.28Å; D28-K32 WeakPolarHBondContact O-CD 3.29Å; D28-K32 WeakPolarHBondContact O-CE 3.43Å; D28-K32 VanDerWaalsContact O-CG 3.25Å; D28-K32 WeakPolarHBondContact O-CG 3.46Å; D28-K32 PolarHBondContact O-NZ 2.86Å; D28-K32 IonicContact OD2-NZ 3.33Å; D28-K32 PolarHBondContact OD2-NZ 3.24Å
29	Y	84.1	Confident	79.5	Confident	76 Å²	76	80.6 Å²	80.6	30%	0.298	38%	0.384	S	S	.	.	H	α-helix	trans	-85	-45.7	174.4	-173.7	-86.2	0	0	0	111.4	H24 D26 Y27 E31 K32 C33 Y38 I42	H24-Y29 HydrophobicContact CB-CD1 3.71Å; H24-Y29 HydrophobicContact CB-CD2 4.37Å; H24-Y29 HydrophobicContact CB-CE1 3.65Å; H24-Y29 HydrophobicContact CB-CE2 4.31Å; H24-Y29 HydrophobicContact CB-CG 4.1Å; H24-Y29 AromaticContact CD2-CD2 3.6Å; H24-Y29 AromaticContact CD2-CE2 3.21Å; H24-Y29 WeakPolarHBondContact CD2-CE2 3.49Å; H24-Y29 AromaticContact CD2-CZ 3.52Å; H24-Y29 AromaticContact CE1-CE2 3.93Å; H24-Y29 AromaticContact CE1-CZ 3.71Å; H24-Y29 PolarHBondContact CE1-OH 3.22Å; H24-Y29 VanDerWaalsContact CE1-OH 3.29Å; H24-Y29 AromaticContact CG-CE1 3.67Å; H24-Y29 AromaticContact CG-CE2 3.63Å; H24-Y29 AromaticContact CG-CZ 3.41Å; H24-Y29 VanDerWaalsContact CG-CZ 3.41Å; H24-Y29 AromaticContact ND1-CE1 3.98Å; H24-Y29 AromaticContact ND1-CZ 3.53Å; H24-Y29 PolarHBondContact ND1-OH 3.39Å; H24-Y29 AromaticContact NE2-CE2 3.43Å; H24-Y29 WeakPolarHBondContact NE2-CE2 3.49Å; H24-Y29 AromaticContact NE2-CZ 3.7Å; H24-Y29 WeakPolarHBondContact O-CD1 3.48Å; D26-Y29 PolarHBondContact O-N 3.49Å; D26-Y29 VanDerWaalsContact O-N 3.09Å; Y27-Y29 PolarHBondContact O-N 2.92Å; Y29-E31 PolarHBondContact O-N 3.43Å; Y29-K32 PolarHBondContact O-N 2.68Å; Y29-C33 HydrophobicContact CE1-CB 4.32Å; Y29-C33 WeakPolarHBondContact O-CB 3.39Å; Y29-C33 PolarHBondContact O-N 3.27Å; Y29-Y38 HydrophobicContact CE1-CD1 4.42Å; Y29-Y38 HydrophobicContact CE1-CE1 4.06Å; Y29-I42 HydrophobicContact CE1-CD1 4.35Å
30	I	84.5	Confident	80.8	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-59.5	-45	-178	-70.7	171.5	0	0	0	110.8	D26 Y27 K32 C33 L39 I42 L46 L57 F60 C61 H64	D26-I30 WeakPolarHBondContact O-CG1 3.46Å; D26-I30 PolarHBondContact O-N 2.94Å; Y27-I30 PolarHBondContact O-N 3.18Å; I30-K32 VanDerWaalsContact C-N 3.35Å; I30-K32 PolarHBondContact O-N 2.69Å; I30-C33 WeakPolarHBondContact O-CB 3.46Å; I30-C33 PolarHBondContact O-N 3.09Å; I30-L39 HydrophobicContact CG2-CD2 3.95Å; I30-I42 HydrophobicContact CD1-CG2 4.04Å; I30-I42 HydrophobicContact CG1-CG2 4.31Å; I30-L46 HydrophobicContact CD1-CD1 4.38Å; I30-L57 HydrophobicContact CD1-CD1 3.77Å; I30-L57 HydrophobicContact CD1-CG 4.24Å; I30-F60 HydrophobicContact CB-CD1 4.3Å; I30-F60 HydrophobicContact CB-CE1 4.17Å; I30-F60 HydrophobicContact CG2-CD1 3.82Å; I30-F60 HydrophobicContact CG2-CE1 3.91Å; I30-C61 HydrophobicContact CD1-CB 4.26Å; I30-C61 HydrophobicContact CG2-CB 4.33Å; I30-H64 HydrophobicContact CG2-CB 4.46Å; I30-H64 PolarHBondContact O-CD2 2.86Å; I30-H64 PolarHBondContact O-NE2 2.84Å
31	E	84.9	Confident	81.5	Confident	120 Å²	120	79.8 Å²	79.8	56%	0.561	38%	0.38	S	S	*	.	H	α-helix	trans	-61.4	-40.9	178.1	-174.7	172.9	-136.2	0	0	112.7	Y27 Y29 C33 F60 H64	Y27-E31 PolarHBondContact O-N 2.9Å; Y29-E31 PolarHBondContact O-N 3.43Å; E31-C33 VanDerWaalsContact C-N 3.31Å; E31-F60 HydrophobicContact CB-CE1 4.27Å; E31-F60 HydrophobicContact CB-CZ 4.08Å; E31-H64 PolarHBondContact O-CE1 3.16Å; E31-H64 VanDerWaalsContact O-CE1 3.27Å; E31-H64 PolarHBondContact O-NE2 3.06Å
32	K	83.1	Confident	81.9	Confident	136 Å²	136	77 Å²	77	59%	0.591	36%	0.362	S	S	*	.	H	α-helix	trans	-76.1	-20.7	-179.8	-62.1	-179.9	-164.9	107.8	0	112.4	D28 Y29 I30	D28-K32 VanDerWaalsContact CG-NZ 3.33Å; D28-K32 VanDerWaalsContact O-CD 3.28Å; D28-K32 WeakPolarHBondContact O-CD 3.29Å; D28-K32 WeakPolarHBondContact O-CE 3.43Å; D28-K32 VanDerWaalsContact O-CG 3.25Å; D28-K32 WeakPolarHBondContact O-CG 3.46Å; D28-K32 PolarHBondContact O-NZ 2.86Å; D28-K32 IonicContact OD2-NZ 3.33Å; D28-K32 PolarHBondContact OD2-NZ 3.24Å; Y29-K32 PolarHBondContact O-N 2.68Å; I30-K32 VanDerWaalsContact C-N 3.35Å; I30-K32 PolarHBondContact O-N 2.69Å
33	C	80.1	Confident	82.4	Confident	13 Å²	13	72.3 Å²	72.3	9%	0.088	33%	0.334	C	S	.	.			trans	-71.1	136.4	179.3	-163	0	0	0	0	111.8	Y29 I30 E31 L39 H64	Y29-C33 HydrophobicContact CE1-CB 4.32Å; Y29-C33 WeakPolarHBondContact O-CB 3.39Å; Y29-C33 PolarHBondContact O-N 3.27Å; I30-C33 WeakPolarHBondContact O-CB 3.46Å; I30-C33 PolarHBondContact O-N 3.09Å; E31-C33 VanDerWaalsContact C-N 3.31Å; C33-L39 HydrophobicContact CB-CD1 4.49Å; C33-L39 HydrophobicContact CB-CD2 4.08Å; C33-L39 HydrophobicContact CB-CG 4.26Å; C33-H64 PolarHBondContact O-NE2 3.39Å; C33-H64 VanDerWaalsContact O-NE2 3.12Å
34	K	81.7	Confident	82.9	Confident	176 Å²	176	72.2 Å²	72.2	77%	0.765	33%	0.331	S	S	*	.			trans	-123.3	-4	179.4	-60.3	-176.6	-176.6	179.6	0	113.8	V36	K34-V36 PolarHBondContact O-N 2.85Å
35	D	83.8	Confident	83	Confident	86 Å²	86	72.1 Å²	72.1	46%	0.46	33%	0.331	S	S	.	.			trans	-84.1	103.3	174.9	-177.9	0.7	0	0	0	110.1	K37 Y38 L39	D35-K37 PolarHBondContact O-N 3.09Å; D35-K37 WeakPolarHBondContact OD1-CB 3.31Å; D35-K37 PolarHBondContact OD1-N 2.98Å; D35-Y38 PolarHBondContact O-N 2.85Å; D35-Y38 PolarHBondContact OD1-N 2.73Å; D35-L39 PolarHBondContact O-N 3.45Å
36	V	82.1	Confident	83.2	Confident	36 Å²	36	71.3 Å²	71.3	22%	0.218	33%	0.327	C	S	.	.	H	α-helix	trans	-51.1	-39	175.2	-179.2	0	0	0	0	111.8	K34 E40 L65 L68 N69	K34-V36 PolarHBondContact O-N 2.85Å; V36-E40 WeakPolarHBondContact O-CB 3.34Å; V36-E40 VanDerWaalsContact O-CG 3.28Å; V36-E40 WeakPolarHBondContact O-CG 3.45Å; V36-E40 PolarHBondContact O-N 3.49Å; V36-L65 HydrophobicContact CG1-CD1 3.78Å; V36-L68 HydrophobicContact CG2-CB 4.2Å; V36-N69 HydrophobicContact CG1-CB 3.83Å; V36-N69 HydrophobicContact CG2-CB 4.35Å
37	K	81.6	Confident	83	Confident	155 Å²	155	72.1 Å²	72.1	67%	0.674	32%	0.324	S	S	*	.	H	α-helix	trans	-76.5	-23.5	-179.3	-67.6	179.5	179	174.5	0	113	D35 K41	D35-K37 PolarHBondContact O-N 3.09Å; D35-K37 WeakPolarHBondContact OD1-CB 3.31Å; D35-K37 PolarHBondContact OD1-N 2.98Å; K37-K41 WeakPolarHBondContact O-CG 3.28Å
38	Y	83.7	Confident	82.8	Confident	54 Å²	54	70.3 Å²	70.3	21%	0.212	33%	0.325	C	S	.	.	H	α-helix	trans	-81.4	-40.8	173.2	-159.4	-106.8	0	0	0	110.8	V20 H24 Y29 D35 E40 K41 I42	V20-Y38 HydrophobicContact CG2-CE2 4.4Å; H24-Y38 AromaticContact ND1-CE1 3.69Å; H24-Y38 AromaticContact ND1-CZ 3.74Å; H24-Y38 PolarHBondContact ND1-OH 2.91Å; Y29-Y38 HydrophobicContact CE1-CD1 4.42Å; Y29-Y38 HydrophobicContact CE1-CE1 4.06Å; D35-Y38 PolarHBondContact O-N 2.85Å; D35-Y38 PolarHBondContact OD1-N 2.73Å; Y38-E40 VanDerWaalsContact C-N 3.35Å; Y38-E40 PolarHBondContact O-N 2.95Å; Y38-K41 WeakPolarHBondContact O-CB 3.46Å; Y38-K41 PolarHBondContact O-N 3.23Å; Y38-K41 VanDerWaalsContact O-N 3.07Å; Y38-I42 HydrophobicContact CD1-CD1 3.7Å; Y38-I42 HydrophobicContact CD1-CG1 4.35Å; Y38-I42 HydrophobicContact CE1-CD1 3.87Å; Y38-I42 HydrophobicContact CE1-CG1 4.37Å; Y38-I42 WeakPolarHBondContact O-CG1 3.23Å; Y38-I42 PolarHBondContact O-N 3.39Å
39	L	83.1	Confident	82.2	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.3	-40.4	170.7	-74.2	168	0	0	0	112.3	I30 C33 D35 K41 I42 L43 L65 L68	I30-L39 HydrophobicContact CG2-CD2 3.95Å; C33-L39 HydrophobicContact CB-CD1 4.49Å; C33-L39 HydrophobicContact CB-CD2 4.08Å; C33-L39 HydrophobicContact CB-CG 4.26Å; D35-L39 PolarHBondContact O-N 3.45Å; L39-K41 VanDerWaalsContact C-N 3.27Å; L39-K41 PolarHBondContact O-N 3.41Å; L39-I42 HydrophobicContact CD2-CD1 4.39Å; L39-I42 PolarHBondContact O-N 2.96Å; L39-L43 WeakPolarHBondContact O-CB 3.48Å; L39-L43 PolarHBondContact O-N 2.94Å; L39-L65 HydrophobicContact CB-CD1 4.1Å; L39-L68 HydrophobicContact CD1-CD1 3.56Å
40	E	85.3	Confident	81.6	Confident	59 Å²	59	70.8 Å²	70.8	28%	0.276	33%	0.334	S	S	.	.	H	α-helix	trans	-60.2	-33.2	172.3	-79.1	177.5	177	0	0	112.9	V36 Y38 K44 L65 S72 A74	V36-E40 WeakPolarHBondContact O-CB 3.34Å; V36-E40 VanDerWaalsContact O-CG 3.28Å; V36-E40 WeakPolarHBondContact O-CG 3.45Å; V36-E40 PolarHBondContact O-N 3.49Å; Y38-E40 VanDerWaalsContact C-N 3.35Å; Y38-E40 PolarHBondContact O-N 2.95Å; E40-K44 WeakPolarHBondContact O-CB 3.37Å; E40-K44 PolarHBondContact O-N 2.81Å; E40-L65 HydrophobicContact CG-CD1 4.14Å; E40-L65 HydrophobicContact CG-CD2 3.97Å; E40-S72 WeakPolarHBondContact OE1-CB 3.37Å; E40-S72 PolarHBondContact OE1-OG 3.17Å; E40-A74 HydrophobicContact CB-CB 4.49Å; E40-A74 HydrophobicContact CG-CB 3.97Å
41	K	84.1	Confident	80.9	Confident	102 Å²	102	75.2 Å²	75.2	44%	0.443	35%	0.354	S	S	.	.	H	α-helix	trans	-72.7	-45.4	173.2	-70.4	176.1	179.8	-173.2	0	111.9	K37 Y38 L39 L43 K44 I45	K37-K41 WeakPolarHBondContact O-CG 3.28Å; Y38-K41 WeakPolarHBondContact O-CB 3.46Å; Y38-K41 PolarHBondContact O-N 3.23Å; Y38-K41 VanDerWaalsContact O-N 3.07Å; L39-K41 VanDerWaalsContact C-N 3.27Å; L39-K41 PolarHBondContact O-N 3.41Å; K41-L43 PolarHBondContact O-N 3.42Å; K41-K44 PolarHBondContact O-N 3.47Å; K41-K44 VanDerWaalsContact O-N 3.16Å; K41-I45 WeakPolarHBondContact O-CG1 3.4Å; K41-I45 PolarHBondContact O-N 3.14Å
42	I	83.6	Confident	80.3	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-56.5	-50.9	175.9	-69.9	164.6	0	0	0	109.8	V20 L25 Y29 I30 Y38 L39 K44 I45 L46	V20-I42 HydrophobicContact CG1-CG1 4.07Å; V20-I42 HydrophobicContact CG2-CG1 4.47Å; L25-I42 HydrophobicContact CD2-CG2 3.96Å; Y29-I42 HydrophobicContact CE1-CD1 4.35Å; I30-I42 HydrophobicContact CD1-CG2 4.04Å; I30-I42 HydrophobicContact CG1-CG2 4.31Å; Y38-I42 HydrophobicContact CD1-CD1 3.7Å; Y38-I42 HydrophobicContact CD1-CG1 4.35Å; Y38-I42 HydrophobicContact CE1-CD1 3.87Å; Y38-I42 HydrophobicContact CE1-CG1 4.37Å; Y38-I42 WeakPolarHBondContact O-CG1 3.23Å; Y38-I42 PolarHBondContact O-N 3.39Å; L39-I42 HydrophobicContact CD2-CD1 4.39Å; L39-I42 PolarHBondContact O-N 2.96Å; I42-K44 VanDerWaalsContact C-N 3.27Å; I42-K44 PolarHBondContact O-N 2.85Å; I42-I45 PolarHBondContact O-N 3.11Å; I42-I45 VanDerWaalsContact O-N 3.15Å; I42-L46 HydrophobicContact CG2-CD1 3.77Å; I42-L46 HydrophobicContact CG2-CG 4.26Å; I42-L46 WeakPolarHBondContact O-CG 3.36Å; I42-L46 PolarHBondContact O-N 2.78Å
43	L	83.4	Confident	80	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-60.6	-34.8	177.9	-178.9	58.5	0	0	0	112.6	L39 K41 R47 I58 C61 E62 L65 A74 L75	L39-L43 WeakPolarHBondContact O-CB 3.48Å; L39-L43 PolarHBondContact O-N 2.94Å; K41-L43 PolarHBondContact O-N 3.42Å; L43-R47 HydrophobicContact CD1-CG 4.23Å; L43-R47 WeakPolarHBondContact O-CB 3.45Å; L43-R47 WeakPolarHBondContact O-CG 3.26Å; L43-R47 PolarHBondContact O-N 2.95Å; L43-I58 HydrophobicContact CD1-CG2 4.12Å; L43-C61 HydrophobicContact CD1-CB 4.43Å; L43-E62 HydrophobicContact CD1-CG 3.66Å; L43-E62 HydrophobicContact CD2-CG 3.96Å; L43-E62 HydrophobicContact CG-CG 4.49Å; L43-L65 HydrophobicContact CD2-CD2 3.72Å; L43-A74 HydrophobicContact CD2-CB 4.17Å; L43-L75 HydrophobicContact CD2-CD2 4.39Å
44	K	82.9	Confident	80.2	Confident	164 Å²	164	75.8 Å²	75.8	71%	0.713	36%	0.364	S	S	*	.	H	α-helix	trans	-67.2	-40.1	175.8	-167.4	-176	178.1	-167.5	0	112.3	E40 K41 I42 R47 S48	E40-K44 WeakPolarHBondContact O-CB 3.37Å; E40-K44 PolarHBondContact O-N 2.81Å; K41-K44 PolarHBondContact O-N 3.47Å; K41-K44 VanDerWaalsContact O-N 3.16Å; I42-K44 VanDerWaalsContact C-N 3.27Å; I42-K44 PolarHBondContact O-N 2.85Å; K44-R47 PolarHBondContact O-N 2.74Å; K44-S48 PolarHBondContact O-N 3.43Å
45	I	81.3	Confident	80.2	Confident	40 Å²	40	70.9 Å²	70.9	21%	0.205	35%	0.35	C	S	.	.	H	α-helix	trans	-70.5	-44.5	177.3	-65.7	164	0	0	0	110.4	V20 K41 I42 R47 S48 G49 E51	V20-I45 HydrophobicContact CB-CD1 3.85Å; V20-I45 HydrophobicContact CG2-CD1 3.57Å; K41-I45 WeakPolarHBondContact O-CG1 3.4Å; K41-I45 PolarHBondContact O-N 3.14Å; I42-I45 PolarHBondContact O-N 3.11Å; I42-I45 VanDerWaalsContact O-N 3.15Å; I45-R47 PolarHBondContact O-N 2.86Å; I45-S48 PolarHBondContact O-N 3.29Å; I45-S48 VanDerWaalsContact O-N 3.08Å; I45-S48 PolarHBondContact O-OG 3.45Å; I45-G49 PolarHBondContact O-N 3.04Å; I45-E51 HydrophobicContact CG2-CG 4.24Å
46	L	80.9	Confident	80.2	Confident	6 Å²	6	73.7 Å²	73.7	3%	0.031	36%	0.36	C	S	.	.	H	α-helix	trans	-62.6	-24.8	175.7	-66.4	176.4	0	0	0	112.9	L25 I30 I42 L57 I58 C61	L25-L46 HydrophobicContact CD2-CD2 4.27Å; L25-L46 HydrophobicContact CD2-CG 4.44Å; I30-L46 HydrophobicContact CD1-CD1 4.38Å; I42-L46 HydrophobicContact CG2-CD1 3.77Å; I42-L46 HydrophobicContact CG2-CG 4.26Å; I42-L46 WeakPolarHBondContact O-CG 3.36Å; I42-L46 PolarHBondContact O-N 2.78Å; L46-L57 HydrophobicContact CD1-CD2 4Å; L46-L57 HydrophobicContact CD1-CG 3.93Å; L46-L57 HydrophobicContact CD2-CD2 3.66Å; L46-L57 HydrophobicContact CD2-CG 4.43Å; L46-I58 HydrophobicContact CB-CG1 3.81Å; L46-I58 VanDerWaalsContact O-CD1 3.27Å; L46-I58 WeakPolarHBondContact O-CD1 3.29Å; L46-C61 HydrophobicContact CD1-CB 4.3Å
47	R	80.4	Confident	80.3	Confident	101 Å²	101	72.4 Å²	72.4	38%	0.381	35%	0.352	S	S	.	.	H	α-helix	trans	-90.9	-16.5	172.8	-74.7	-175.1	-178.8	167.3	5	114.9	L43 K44 I45 G49 I58 E62 A74	L43-R47 HydrophobicContact CD1-CG 4.23Å; L43-R47 WeakPolarHBondContact O-CB 3.45Å; L43-R47 WeakPolarHBondContact O-CG 3.26Å; L43-R47 PolarHBondContact O-N 2.95Å; K44-R47 PolarHBondContact O-N 2.74Å; I45-R47 PolarHBondContact O-N 2.86Å; R47-G49 VanDerWaalsContact C-N 3.31Å; R47-I58 HydrophobicContact CG-CG2 4.27Å; R47-E62 IonicContact CZ-OE1 3.35Å; R47-E62 IonicContact NE-OE1 2.65Å; R47-E62 PolarHBondContact NE-OE1 3.32Å; R47-E62 IonicContact NH2-OE1 3.96Å; R47-E62 PolarHBondContact NH2-OE1 3.04Å; R47-A74 PolarHBondContact NH1-O 3.38Å; R47-A74 PolarHBondContact NH2-O 3.13Å; R47-A74 VanDerWaalsContact NH2-O 3.16Å
48	S	80.3	Confident	80.5	Confident	59 Å²	59	66.1 Å²	66.1	41%	0.413	33%	0.326	S	S	.	.	H	α-helix	trans	-75.5	-25.6	173.9	64.6	0	0	0	0	111.8	K44 I45 E50	K44-S48 PolarHBondContact O-N 3.43Å; I45-S48 PolarHBondContact O-N 3.29Å; I45-S48 VanDerWaalsContact O-N 3.08Å; I45-S48 PolarHBondContact O-OG 3.45Å; S48-E50 WeakPolarHBondContact CB-OE2 3.24Å; S48-E50 PolarHBondContact O-N 2.87Å; S48-E50 VanDerWaalsContact OG-CD 3.29Å; S48-E50 WeakPolarHBondContact OG-CG 3.17Å; S48-E50 PolarHBondContact OG-OE2 3.08Å
49	G	71.4	Confident	80.6	Confident	25 Å²	25	70.1 Å²	70.1	26%	0.258	34%	0.344	S	S	.	.			trans	76.3	6.3	-179.8	0	0	0	0	0	114	I45 R47 E51 G52	I45-G49 PolarHBondContact O-N 3.04Å; R47-G49 VanDerWaalsContact C-N 3.31Å; G49-E51 VanDerWaalsContact C-N 3.26Å; G49-E51 PolarHBondContact O-N 2.89Å; G49-G52 PolarHBondContact O-N 3.18Å
50	E	71.1	Confident	80.9	Confident	153 Å²	153	73.4 Å²	73.4	72%	0.715	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-32.5	-177.4	-69.6	164.4	132.8	0	0	112.8	S48	S48-E50 WeakPolarHBondContact CB-OE2 3.24Å; S48-E50 PolarHBondContact O-N 2.87Å; S48-E50 VanDerWaalsContact OG-CD 3.29Å; S48-E50 WeakPolarHBondContact OG-CG 3.17Å; S48-E50 PolarHBondContact OG-OE2 3.08Å
51	E	69.5	Low	80.8	Confident	93 Å²	93	70.6 Å²	70.6	44%	0.435	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	8.6	175.2	-56.9	-70.1	168.4	0	0	112.2	L25 I45 G49 Y54	L25-E51 HydrophobicContact CD1-CB 4.45Å; L25-E51 HydrophobicContact CD1-CG 4.29Å; I45-E51 HydrophobicContact CG2-CG 4.24Å; G49-E51 VanDerWaalsContact C-N 3.26Å; G49-E51 PolarHBondContact O-N 2.89Å; E51-Y54 WeakPolarHBondContact O-CE2 3.23Å
52	G	73.6	Confident	81	Confident	28 Å²	28	66.9 Å²	66.9	29%	0.289	33%	0.33	S	S	.	.			trans	105.1	163.3	-172.5	0	0	0	0	0	114.4	G49	G49-G52 PolarHBondContact O-N 3.18Å
53	I	75.8	Confident	81.1	Confident	129 Å²	129	69.5 Å²	69.5	66%	0.662	35%	0.348	S	S	*	.			trans	-102.6	116.4	-177.3	-56.3	176.6	0	0	0	109.8	P55 I58	I53-P55 HydrophobicContact CG2-CG 4.29Å; I53-P55 WeakPolarHBondContact O-CD 3.3Å; I53-I58 HydrophobicContact CG2-CD1 4.48Å
54	Y	84.4	Confident	81.3	Confident	124 Å²	124	70.8 Å²	70.8	49%	0.486	35%	0.354	S	S	.	.			trans	-122.9	82.2	-177.3	-59.4	-77.5	0	0	0	111.7	E51 H56 L57 I58	E51-Y54 WeakPolarHBondContact O-CE2 3.23Å; Y54-H56 VanDerWaalsContact C-N 3.26Å; Y54-H56 PolarHBondContact O-N 2.64Å; Y54-H56 VanDerWaalsContact O-N 3.11Å; Y54-L57 PolarHBondContact O-N 3.39Å; Y54-L57 VanDerWaalsContact O-N 3.09Å; Y54-I58 WeakPolarHBondContact O-CG1 3.35Å; Y54-I58 PolarHBondContact O-N 3.31Å
55	P	81.8	Confident	81.4	Confident	74 Å²	74	63 Å²	63	48%	0.481	32%	0.32	S	S	.	.	H	α-helix	trans	-59	-31	-169.1	-27	36.1	0	0	0	115.2	I53 K59	I53-P55 HydrophobicContact CG2-CG 4.29Å; I53-P55 WeakPolarHBondContact O-CD 3.3Å; P55-K59 WeakPolarHBondContact O-CB 3.42Å; P55-K59 WeakPolarHBondContact O-CG 3.31Å; P55-K59 PolarHBondContact O-N 3.02Å; P55-K59 VanDerWaalsContact O-N 3.14Å
56	H	84.1	Confident	81.6	Confident	144 Å²	144	66.4 Å²	66.4	67%	0.667	34%	0.335	S	S	*	.	H	α-helix	trans	-75.5	-40.4	177.9	-69.1	-94.6	0	0	0	112.2	Y27 Y54 K59 F60	Y27-H56 WeakPolarHBondContact OH-CB 3.47Å; Y54-H56 VanDerWaalsContact C-N 3.26Å; Y54-H56 PolarHBondContact O-N 2.64Å; Y54-H56 VanDerWaalsContact O-N 3.11Å; H56-K59 PolarHBondContact O-N 2.59Å; H56-F60 WeakPolarHBondContact O-CB 3.47Å; H56-F60 PolarHBondContact O-N 2.94Å
57	L	84.9	Confident	81.9	Confident	10 Å²	10	74.3 Å²	74.3	5%	0.052	37%	0.369	C	S	.	.	H	α-helix	trans	-69.8	-39.2	176.7	-172.8	69.9	0	0	0	111.4	L25 Y27 I30 L46 Y54 F60 C61	L25-L57 WeakPolarHBondContact O-CD2 3.2Å; Y27-L57 HydrophobicContact CD1-CD1 3.85Å; Y27-L57 HydrophobicContact CD2-CD1 3.87Å; Y27-L57 HydrophobicContact CE1-CB 4.35Å; Y27-L57 HydrophobicContact CE1-CD1 3.8Å; Y27-L57 HydrophobicContact CE2-CD1 3.82Å; Y27-L57 HydrophobicContact CG-CD1 3.88Å; Y27-L57 PolarHBondContact OH-N 2.9Å; I30-L57 HydrophobicContact CD1-CD1 3.77Å; I30-L57 HydrophobicContact CD1-CG 4.24Å; L46-L57 HydrophobicContact CD1-CD2 4Å; L46-L57 HydrophobicContact CD1-CG 3.93Å; L46-L57 HydrophobicContact CD2-CD2 3.66Å; L46-L57 HydrophobicContact CD2-CG 4.43Å; Y54-L57 PolarHBondContact O-N 3.39Å; Y54-L57 VanDerWaalsContact O-N 3.09Å; L57-F60 PolarHBondContact O-N 3.3Å; L57-C61 WeakPolarHBondContact O-CB 3.43Å; L57-C61 PolarHBondContact O-N 3.38Å
58	I	85.8	Confident	82.1	Confident	23 Å²	23	73 Å²	73	12%	0.118	37%	0.369	C	S	.	.	H	α-helix	trans	-57.3	-52	171	-65.8	161.7	0	0	0	109.9	L43 L46 R47 I53 Y54 F60 C61 E62	L43-I58 HydrophobicContact CD1-CG2 4.12Å; L46-I58 HydrophobicContact CB-CG1 3.81Å; L46-I58 VanDerWaalsContact O-CD1 3.27Å; L46-I58 WeakPolarHBondContact O-CD1 3.29Å; R47-I58 HydrophobicContact CG-CG2 4.27Å; I53-I58 HydrophobicContact CG2-CD1 4.48Å; Y54-I58 WeakPolarHBondContact O-CG1 3.35Å; Y54-I58 PolarHBondContact O-N 3.31Å; I58-F60 VanDerWaalsContact C-N 3.35Å; I58-F60 PolarHBondContact O-N 3.47Å; I58-C61 PolarHBondContact O-N 2.92Å; I58-E62 HydrophobicContact CG2-CG 4.47Å; I58-E62 WeakPolarHBondContact O-CG 3.5Å; I58-E62 PolarHBondContact O-N 2.99Å
59	K	85.2	Confident	82.1	Confident	138 Å²	138	72.7 Å²	72.7	60%	0.6	36%	0.363	S	S	*	.	H	α-helix	trans	-60.9	-40.5	177.9	-78.6	177.7	176.6	-178.6	0	112.8	P55 H56 E62 S63	P55-K59 WeakPolarHBondContact O-CB 3.42Å; P55-K59 WeakPolarHBondContact O-CG 3.31Å; P55-K59 PolarHBondContact O-N 3.02Å; P55-K59 VanDerWaalsContact O-N 3.14Å; H56-K59 PolarHBondContact O-N 2.59Å; K59-E62 PolarHBondContact O-N 2.93Å; K59-S63 WeakPolarHBondContact O-CB 3.29Å; K59-S63 PolarHBondContact O-N 3.28Å; K59-S63 PolarHBondContact O-OG 3.48Å
60	F	88.7	Confident	82.4	Confident	68 Å²	68	75.7 Å²	75.7	30%	0.298	38%	0.378	S	S	.	.	H	α-helix	trans	-62.3	-45.3	176.6	-173.9	-101	0	0	0	111.7	Y27 I30 E31 H56 L57 I58 S63 H64	Y27-F60 HydrophobicContact CD1-CB 3.99Å; Y27-F60 AromaticContact CD1-CD1 3.63Å; Y27-F60 HydrophobicContact CD1-CD1 3.63Å; Y27-F60 HydrophobicContact CD1-CD2 4.06Å; Y27-F60 HydrophobicContact CD1-CE1 4.05Å; Y27-F60 HydrophobicContact CD1-CE2 4.43Å; Y27-F60 AromaticContact CD1-CG 3.63Å; Y27-F60 HydrophobicContact CD1-CG 3.63Å; Y27-F60 HydrophobicContact CD1-CZ 4.42Å; Y27-F60 HydrophobicContact CE1-CB 3.86Å; Y27-F60 HydrophobicContact CE1-CD1 4.37Å; Y27-F60 HydrophobicContact CE1-CD2 4.49Å; Y27-F60 HydrophobicContact CE1-CG 4.02Å; Y27-F60 HydrophobicContact CG-CD1 4.49Å; I30-F60 HydrophobicContact CB-CD1 4.3Å; I30-F60 HydrophobicContact CB-CE1 4.17Å; I30-F60 HydrophobicContact CG2-CD1 3.82Å; I30-F60 HydrophobicContact CG2-CE1 3.91Å; E31-F60 HydrophobicContact CB-CE1 4.27Å; E31-F60 HydrophobicContact CB-CZ 4.08Å; H56-F60 WeakPolarHBondContact O-CB 3.47Å; H56-F60 PolarHBondContact O-N 2.94Å; L57-F60 PolarHBondContact O-N 3.3Å; I58-F60 VanDerWaalsContact C-N 3.35Å; I58-F60 PolarHBondContact O-N 3.47Å; F60-S63 PolarHBondContact O-N 3.34Å; F60-H64 WeakPolarHBondContact O-CB 3.48Å; F60-H64 PolarHBondContact O-N 2.63Å
61	C	84.4	Confident	82.6	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-64.5	-41.3	175.6	-165.8	0	0	0	0	112.1	I30 L43 L46 L57 I58 H64 L65	I30-C61 HydrophobicContact CD1-CB 4.26Å; I30-C61 HydrophobicContact CG2-CB 4.33Å; L43-C61 HydrophobicContact CD1-CB 4.43Å; L46-C61 HydrophobicContact CD1-CB 4.3Å; L57-C61 WeakPolarHBondContact O-CB 3.43Å; L57-C61 PolarHBondContact O-N 3.38Å; I58-C61 PolarHBondContact O-N 2.92Å; C61-H64 PolarHBondContact O-N 2.75Å; C61-L65 WeakPolarHBondContact O-CB 3.33Å; C61-L65 PolarHBondContact O-N 3.12Å
62	E	87.8	Confident	83.1	Confident	24 Å²	24	70.6 Å²	70.6	11%	0.112	36%	0.359	C	S	.	.	H	α-helix	trans	-58.6	-52.2	172.3	-73.6	-178.1	-178.8	0	0	111.6	L43 R47 I58 K59 H64 L65 E66 L75 K77	L43-E62 HydrophobicContact CD1-CG 3.66Å; L43-E62 HydrophobicContact CD2-CG 3.96Å; L43-E62 HydrophobicContact CG-CG 4.49Å; R47-E62 IonicContact CZ-OE1 3.35Å; R47-E62 IonicContact NE-OE1 2.65Å; R47-E62 PolarHBondContact NE-OE1 3.32Å; R47-E62 IonicContact NH2-OE1 3.96Å; R47-E62 PolarHBondContact NH2-OE1 3.04Å; I58-E62 HydrophobicContact CG2-CG 4.47Å; I58-E62 WeakPolarHBondContact O-CG 3.5Å; I58-E62 PolarHBondContact O-N 2.99Å; K59-E62 PolarHBondContact O-N 2.93Å; E62-H64 VanDerWaalsContact C-N 3.32Å; E62-H64 PolarHBondContact O-N 3.31Å; E62-L65 PolarHBondContact O-N 2.94Å; E62-E66 VanDerWaalsContact O-CB 3.28Å; E62-E66 WeakPolarHBondContact O-CB 3.4Å; E62-E66 PolarHBondContact O-N 2.69Å; E62-L75 HydrophobicContact CB-CD2 4.15Å; E62-L75 HydrophobicContact CG-CD2 4.33Å; E62-K77 IonicContact OE1-NZ 2.79Å; E62-K77 WeakPolarHBondContact OE2-CE 3.46Å; E62-K77 IonicContact OE2-NZ 2.69Å; E62-K77 PolarHBondContact OE2-NZ 2.77Å
63	S	86.3	Confident	83.1	Confident	56 Å²	56	79.2 Å²	79.2	39%	0.392	38%	0.383	S	S	.	.	H	α-helix	trans	-67.9	-27.1	-178.9	-64.5	0	0	0	0	114	K59 F60 K67	K59-S63 WeakPolarHBondContact O-CB 3.29Å; K59-S63 PolarHBondContact O-N 3.28Å; K59-S63 PolarHBondContact O-OG 3.48Å; F60-S63 PolarHBondContact O-N 3.34Å; S63-K67 WeakPolarHBondContact O-CD 3.17Å; S63-K67 VanDerWaalsContact O-CG 3.27Å; S63-K67 WeakPolarHBondContact O-CG 3.4Å; S63-K67 PolarHBondContact O-N 2.73Å
64	H	87.1	Confident	83	Confident	27 Å²	27	74.3 Å²	74.3	13%	0.125	36%	0.361	C	S	.	.	H	α-helix	trans	-77.2	-41.8	173.4	-168.6	60.1	0	0	0	111.7	I30 E31 C33 F60 C61 E62 E66 K67 L68	I30-H64 HydrophobicContact CG2-CB 4.46Å; I30-H64 PolarHBondContact O-CD2 2.86Å; I30-H64 PolarHBondContact O-NE2 2.84Å; E31-H64 PolarHBondContact O-CE1 3.16Å; E31-H64 VanDerWaalsContact O-CE1 3.27Å; E31-H64 PolarHBondContact O-NE2 3.06Å; C33-H64 PolarHBondContact O-NE2 3.39Å; C33-H64 VanDerWaalsContact O-NE2 3.12Å; F60-H64 WeakPolarHBondContact O-CB 3.48Å; F60-H64 PolarHBondContact O-N 2.63Å; C61-H64 PolarHBondContact O-N 2.75Å; E62-H64 VanDerWaalsContact C-N 3.32Å; E62-H64 PolarHBondContact O-N 3.31Å; H64-E66 VanDerWaalsContact C-N 3.32Å; H64-E66 PolarHBondContact O-N 3.32Å; H64-K67 PolarHBondContact O-N 3.11Å; H64-L68 WeakPolarHBondContact O-CG 3.41Å; H64-L68 PolarHBondContact O-N 3.46Å
65	L	85.4	Confident	82.6	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-63.5	-37.1	173.4	-177.7	63.1	0	0	0	111.8	V36 L39 E40 L43 C61 E62 L68 N69 A74 L75	V36-L65 HydrophobicContact CG1-CD1 3.78Å; L39-L65 HydrophobicContact CB-CD1 4.1Å; E40-L65 HydrophobicContact CG-CD1 4.14Å; E40-L65 HydrophobicContact CG-CD2 3.97Å; L43-L65 HydrophobicContact CD2-CD2 3.72Å; C61-L65 WeakPolarHBondContact O-CB 3.33Å; C61-L65 PolarHBondContact O-N 3.12Å; E62-L65 PolarHBondContact O-N 2.94Å; L65-L68 PolarHBondContact O-N 3.08Å; L65-N69 CarbonylContact O-C 3.37Å; L65-N69 PolarHBondContact O-N 3.02Å; L65-A74 HydrophobicContact CD2-CB 4.2Å; L65-L75 HydrophobicContact CB-CD2 4.3Å; L65-L75 HydrophobicContact CD2-CD2 4.01Å; L65-L75 HydrophobicContact CD2-CG 4.09Å; L65-L75 HydrophobicContact CG-CD1 4.34Å; L65-L75 HydrophobicContact CG-CD2 4.27Å; L65-L75 HydrophobicContact CG-CG 4.28Å
66	E	85.9	Confident	82.4	Confident	113 Å²	113	74.9 Å²	74.9	53%	0.528	36%	0.355	S	S	.	.	H	α-helix	trans	-64.1	-41.9	175.6	-175.8	173.7	-148.2	0	0	112.5	E62 H64 L68 P70 L75	E62-E66 VanDerWaalsContact O-CB 3.28Å; E62-E66 WeakPolarHBondContact O-CB 3.4Å; E62-E66 PolarHBondContact O-N 2.69Å; H64-E66 VanDerWaalsContact C-N 3.32Å; H64-E66 PolarHBondContact O-N 3.32Å; E66-L68 VanDerWaalsContact C-N 3.28Å; E66-L68 PolarHBondContact O-N 3.1Å; E66-P70 WeakPolarHBondContact O-CD 3.47Å; E66-L75 HydrophobicContact CB-CD1 3.88Å; E66-L75 HydrophobicContact CG-CD1 4.41Å
67	K	85.8	Confident	81.5	Confident	172 Å²	172	74.4 Å²	74.4	75%	0.748	35%	0.351	S	S	*	.	H	α-helix	trans	-62.5	-32.7	173	-72.9	165.3	179.5	173.2	0	113.1	S63 H64	S63-K67 WeakPolarHBondContact O-CD 3.17Å; S63-K67 VanDerWaalsContact O-CG 3.27Å; S63-K67 WeakPolarHBondContact O-CG 3.4Å; S63-K67 PolarHBondContact O-N 2.73Å; H64-K67 PolarHBondContact O-N 3.11Å
68	L	84.1	Confident	80.2	Confident	73 Å²	73	83.4 Å²	83.4	38%	0.382	39%	0.393	S	S	.	.	H	α-helix	trans	-89.9	-34	-177.3	-68.5	172.9	0	0	0	113.3	V36 L39 H64 L65 E66	V36-L68 HydrophobicContact CG2-CB 4.2Å; L39-L68 HydrophobicContact CD1-CD1 3.56Å; H64-L68 WeakPolarHBondContact O-CG 3.41Å; H64-L68 PolarHBondContact O-N 3.46Å; L65-L68 PolarHBondContact O-N 3.08Å; E66-L68 VanDerWaalsContact C-N 3.28Å; E66-L68 PolarHBondContact O-N 3.1Å
69	N	80.6	Confident	78.9	Confident	53 Å²	53	89.5 Å²	89.5	28%	0.283	43%	0.426	S	S	.	.			trans	-157.5	89	177.5	-179.9	16.1	0	0	0	111.5	V36 L65 N71 S72	V36-N69 HydrophobicContact CG1-CB 3.83Å; V36-N69 HydrophobicContact CG2-CB 4.35Å; L65-N69 CarbonylContact O-C 3.37Å; L65-N69 PolarHBondContact O-N 3.02Å; N69-N71 PolarHBondContact O-N 3.26Å; N69-N71 VanDerWaalsContact O-N 3.12Å; N69-N71 PolarHBondContact OD1-N 2.71Å; N69-S72 WeakPolarHBondContact O-CB 3.42Å; N69-S72 PolarHBondContact O-N 3.35Å; N69-S72 VanDerWaalsContact O-N 3.09Å
70	P	79.4	Confident	77.8	Confident	88 Å²	88	88.5 Å²	88.5	57%	0.571	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-17.5	-177.5	26.6	-34.8	0	0	0	113.5	E66	E66-P70 WeakPolarHBondContact O-CD 3.47Å
71	N	74.8	Confident	76.4	Confident	136 Å²	136	91.6 Å²	91.6	73%	0.727	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	6.8	177.5	-75.8	-45.3	0	0	0	113.8	N69 R73	N69-N71 PolarHBondContact O-N 3.26Å; N69-N71 VanDerWaalsContact O-N 3.12Å; N69-N71 PolarHBondContact OD1-N 2.71Å; N71-R73 PolarHBondContact O-N 3.34Å
72	S	78.9	Confident	75.4	Confident	3 Å²	3	94.2 Å²	94.2	2%	0.021	48%	0.48	C	S	.	.			trans	-54.1	135.4	178.7	172.7	0	0	0	0	112.1	E40 N69 A74 L75	E40-S72 WeakPolarHBondContact OE1-CB 3.37Å; E40-S72 PolarHBondContact OE1-OG 3.17Å; N69-S72 WeakPolarHBondContact O-CB 3.42Å; N69-S72 PolarHBondContact O-N 3.35Å; N69-S72 VanDerWaalsContact O-N 3.09Å; S72-A74 PolarHBondContact O-N 3.12Å; S72-A74 PolarHBondContact OG-N 2.93Å; S72-A74 VanDerWaalsContact OG-N 3.14Å; S72-L75 PolarHBondContact O-N 2.63Å
73	R	74.6	Confident	74.3	Confident	209 Å²	209	97.4 Å²	97.4	79%	0.789	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-63.8	-25.5	175.2	-173.5	175.8	176.6	177.6	-0.4	112	N71 R76	N71-R73 PolarHBondContact O-N 3.34Å; R73-R76 PolarHBondContact O-N 3.37Å
74	A	73.1	Confident	73.3	Confident	25 Å²	25	100.5 Å²	100.5	21%	0.207	51%	0.509	C	S	.	.	G	3₁₀ helix	trans	-73.3	-24.9	180	0	0	0	0	0	113.3	E40 L43 R47 L65 S72 R76	E40-A74 HydrophobicContact CB-CB 4.49Å; E40-A74 HydrophobicContact CG-CB 3.97Å; L43-A74 HydrophobicContact CD2-CB 4.17Å; R47-A74 PolarHBondContact NH1-O 3.38Å; R47-A74 PolarHBondContact NH2-O 3.13Å; R47-A74 VanDerWaalsContact NH2-O 3.16Å; L65-A74 HydrophobicContact CD2-CB 4.2Å; S72-A74 PolarHBondContact O-N 3.12Å; S72-A74 PolarHBondContact OG-N 2.93Å; S72-A74 VanDerWaalsContact OG-N 3.14Å; A74-R76 VanDerWaalsContact C-N 3.3Å; A74-R76 PolarHBondContact O-N 3.34Å
75	L	76.9	Confident	72.5	Confident	32 Å²	32	103.8 Å²	103.8	17%	0.168	54%	0.541	C	S	.	.	G	3₁₀ helix	trans	-76.7	-17.5	178.3	-64.8	173.7	0	0	0	113.2	L43 E62 L65 E66 S72 K77	L43-L75 HydrophobicContact CD2-CD2 4.39Å; E62-L75 HydrophobicContact CB-CD2 4.15Å; E62-L75 HydrophobicContact CG-CD2 4.33Å; L65-L75 HydrophobicContact CB-CD2 4.3Å; L65-L75 HydrophobicContact CD2-CD2 4.01Å; L65-L75 HydrophobicContact CD2-CG 4.09Å; L65-L75 HydrophobicContact CG-CD1 4.34Å; L65-L75 HydrophobicContact CG-CD2 4.27Å; L65-L75 HydrophobicContact CG-CG 4.28Å; E66-L75 HydrophobicContact CB-CD1 3.88Å; E66-L75 HydrophobicContact CG-CD1 4.41Å; S72-L75 PolarHBondContact O-N 2.63Å; L75-K77 PolarHBondContact O-N 3.19Å
76	R	75.8	Confident	71.9	Confident	179 Å²	179	109.1 Å²	109.1	68%	0.675	57%	0.569	S	S	*	*			trans	-62.9	134.2	177.6	-58.5	-177.6	-172.3	-167.5	-0.4	110.4	R73 A74	R73-R76 PolarHBondContact O-N 3.37Å; A74-R76 VanDerWaalsContact C-N 3.3Å; A74-R76 PolarHBondContact O-N 3.34Å
77	K	67.2	Low	71.6	Confident	134 Å²	134	107.2 Å²	107.2	58%	0.583	56%	0.56	S	S	*	*			trans	-117.7	145.8	175.1	-66.7	170	-175	173.6	0	107.5	E62 L75 N79	E62-K77 IonicContact OE1-NZ 2.79Å; E62-K77 WeakPolarHBondContact OE2-CE 3.46Å; E62-K77 IonicContact OE2-NZ 2.69Å; E62-K77 PolarHBondContact OE2-NZ 2.77Å; L75-K77 PolarHBondContact O-N 3.19Å; K77-N79 PolarHBondContact O-N 2.99Å
78	E	57.2	Low	71.5	Confident	198 Å²	198	101.7 Å²	101.7	93%	0.925	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-77.4	123.2	-179.4	-65.4	-177.1	163.3	0	0	109.3
79	N	58.3	Low	71.2	Confident	151 Å²	151	106.2 Å²	106.2	81%	0.807	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-80.4	135.8	170.4	-75.9	-4	0	0	0	108.7	K77	K77-N79 PolarHBondContact O-N 2.99Å
80	P	61.3	Low	71.2	Confident	118 Å²	118	109.6 Å²	109.6	77%	0.766	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-65	159.6	173.6	29.3	-35.4	0	0	0	111.2	A82	P80-A82 PolarHBondContact O-N 2.98Å
81	V	59.1	Low	71.3	Confident	132 Å²	132	110.5 Å²	110.5	80%	0.8	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-59.4	126.3	176.8	-178.1	0	0	0	0	109.7	T83	V81-T83 PolarHBondContact O-N 3.08Å; V81-T83 PolarHBondContact O-OG1 3.47Å
82	A	64.1	Low	71.7	Confident	56 Å²	56	107.5 Å²	107.5	46%	0.463	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-60.6	122.5	176.9	0	0	0	0	0	110	P80 N86 F87	P80-A82 PolarHBondContact O-N 2.98Å; A82-N86 HydrophobicContact CB-CB 4.13Å; A82-F87 HydrophobicContact CB-CE2 3.9Å; A82-F87 HydrophobicContact CB-CZ 3.81Å
83	T	65.2	Low	72	Confident	91 Å²	91	111.2 Å²	111.2	56%	0.558	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-95.8	166.9	176.4	-53.9	0	0	0	0	108.6	V81 A85 N86 F87	V81-T83 PolarHBondContact O-N 3.08Å; V81-T83 PolarHBondContact O-OG1 3.47Å; T83-A85 PolarHBondContact O-N 3.21Å; T83-N86 PolarHBondContact N-OD1 2.89Å; T83-N86 VanDerWaalsContact O-CB 3.29Å; T83-N86 WeakPolarHBondContact O-CB 3.42Å; T83-N86 PolarHBondContact O-N 3.46Å; T83-N86 PolarHBondContact O-OD1 2.83Å; T83-F87 WeakPolarHBondContact O-CD2 3.4Å
84	E	65.3	Low	72.5	Confident	120 Å²	120	106.6 Å²	106.6	56%	0.561	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-45.9	-38.9	175.7	174.3	167.6	-145.8	0	0	113.2	N86 F87 W92	E84-N86 PolarHBondContact O-N 3.24Å; E84-N86 VanDerWaalsContact O-N 3.16Å; E84-F87 PolarHBondContact O-N 3.47Å; E84-W92 HydrophobicContact CB-CH2 4.19Å; E84-W92 HydrophobicContact CB-CZ2 3.79Å; E84-W92 HydrophobicContact CG-CD2 4.2Å; E84-W92 HydrophobicContact CG-CG 4.47Å; E84-W92 HydrophobicContact CG-CZ2 3.85Å; E84-W92 PolarHBondContact OE1-NE1 3.31Å
85	A	69.4	Low	73.1	Confident	96 Å²	96	108.2 Å²	108.2	79%	0.793	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-69.4	-4.2	177.3	0	0	0	0	0	115.7	T83	T83-A85 PolarHBondContact O-N 3.21Å
86	N	73.9	Confident	73.6	Confident	112 Å²	112	109.4 Å²	109.4	60%	0.599	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-90.1	-12.4	175.6	-71.1	93.4	0	0	0	113.6	A82 T83 E84	A82-N86 HydrophobicContact CB-CB 4.13Å; T83-N86 PolarHBondContact N-OD1 2.89Å; T83-N86 VanDerWaalsContact O-CB 3.29Å; T83-N86 WeakPolarHBondContact O-CB 3.42Å; T83-N86 PolarHBondContact O-N 3.46Å; T83-N86 PolarHBondContact O-OD1 2.83Å; E84-N86 PolarHBondContact O-N 3.24Å; E84-N86 VanDerWaalsContact O-N 3.16Å
87	F	77.6	Confident	74.2	Confident	74 Å²	74	104.1 Å²	104.1	33%	0.325	56%	0.557	S	S	.	*	S	Bend	trans	-104	150.8	-177.4	-60.5	-81.1	0	0	0	110.8	A82 T83 E84 W92 I95	A82-F87 HydrophobicContact CB-CE2 3.9Å; A82-F87 HydrophobicContact CB-CZ 3.81Å; T83-F87 WeakPolarHBondContact O-CD2 3.4Å; E84-F87 PolarHBondContact O-N 3.47Å; F87-W92 HydrophobicContact CB-CB 4.21Å; F87-W92 HydrophobicContact CB-CE3 4.35Å; F87-W92 AromaticContact CD2-CE3 3.65Å; F87-W92 HydrophobicContact CD2-CE3 3.65Å; F87-W92 AromaticContact CD2-CZ3 3.83Å; F87-W92 HydrophobicContact CD2-CZ3 3.83Å; F87-W92 HydrophobicContact CE2-CE3 4.22Å; F87-W92 AromaticContact CE2-CZ3 3.96Å; F87-W92 HydrophobicContact CE2-CZ3 3.96Å; F87-W92 HydrophobicContact CG-CE3 4.1Å; F87-I95 HydrophobicContact CD1-CD1 3.99Å; F87-I95 HydrophobicContact CE1-CD1 4.01Å; F87-I95 HydrophobicContact CG-CD1 4.45Å; F87-I95 HydrophobicContact CZ-CD1 4.5Å
88	S	83.9	Confident	75.2	Confident	55 Å²	55	101.8 Å²	101.8	39%	0.385	55%	0.551	S	S	.	*			trans	-67.6	157.8	164.5	72	0	0	0	0	110.1	D90 E91 W92	S88-D90 PolarHBondContact O-N 3.31Å; S88-E91 WeakPolarHBondContact CB-OE2 3.48Å; S88-E91 PolarHBondContact N-OE2 3.45Å; S88-E91 PolarHBondContact O-N 3.24Å; S88-E91 VanDerWaalsContact OG-CG 3.23Å; S88-E91 WeakPolarHBondContact OG-CG 3.39Å; S88-E91 PolarHBondContact OG-N 3.23Å; S88-E91 PolarHBondContact OG-OE2 2.86Å; S88-W92 WeakPolarHBondContact O-CB 3.5Å; S88-W92 PolarHBondContact O-N 2.82Å
89	K	78.8	Confident	76.6	Confident	169 Å²	169	97.4 Å²	97.4	74%	0.735	53%	0.533	S	S	*	.	H	α-helix	trans	-62.5	-31.6	-174.9	-149.4	172.6	-170.5	177.9	0	112.5	N93	K89-N93 WeakPolarHBondContact O-CB 3.47Å; K89-N93 PolarHBondContact O-N 3.16Å; K89-N93 PolarHBondContact O-ND2 2.95Å; K89-N93 VanDerWaalsContact O-ND2 3.09Å
90	D	79.8	Confident	78.1	Confident	123 Å²	123	95.9 Å²	95.9	66%	0.658	52%	0.516	S	S	*	.	H	α-helix	trans	-80.5	-38.1	-179	-54.2	-43.5	0	0	0	111.7	S88 W92 N93 Q94	S88-D90 PolarHBondContact O-N 3.31Å; D90-W92 VanDerWaalsContact C-N 3.35Å; D90-N93 PolarHBondContact O-N 2.98Å; D90-Q94 PolarHBondContact O-N 2.55Å
91	E	81.9	Confident	79.5	Confident	108 Å²	108	94.3 Å²	94.3	51%	0.505	51%	0.505	S	S	.	.	H	α-helix	trans	-62.4	-41.3	169.6	-70.5	164.5	132.9	0	0	111.6	S88 Q94 I95	S88-E91 WeakPolarHBondContact CB-OE2 3.48Å; S88-E91 PolarHBondContact N-OE2 3.45Å; S88-E91 PolarHBondContact O-N 3.24Å; S88-E91 VanDerWaalsContact OG-CG 3.23Å; S88-E91 WeakPolarHBondContact OG-CG 3.39Å; S88-E91 PolarHBondContact OG-N 3.23Å; S88-E91 PolarHBondContact OG-OE2 2.86Å; E91-Q94 PolarHBondContact O-N 2.95Å; E91-I95 VanDerWaalsContact O-CG1 3.3Å; E91-I95 WeakPolarHBondContact O-CG1 3.46Å; E91-I95 PolarHBondContact O-N 3.18Å
92	W	83.8	Confident	80.8	Confident	73 Å²	73	95.7 Å²	95.7	28%	0.277	50%	0.496	S	S	.	.	H	α-helix	trans	-66.9	-41.6	177.5	-170	-118.1	0	0	0	112.1	E84 F87 S88 D90 Q94 I95 V96	E84-W92 HydrophobicContact CB-CH2 4.19Å; E84-W92 HydrophobicContact CB-CZ2 3.79Å; E84-W92 HydrophobicContact CG-CD2 4.2Å; E84-W92 HydrophobicContact CG-CG 4.47Å; E84-W92 HydrophobicContact CG-CZ2 3.85Å; E84-W92 PolarHBondContact OE1-NE1 3.31Å; F87-W92 HydrophobicContact CB-CB 4.21Å; F87-W92 HydrophobicContact CB-CE3 4.35Å; F87-W92 AromaticContact CD2-CE3 3.65Å; F87-W92 HydrophobicContact CD2-CE3 3.65Å; F87-W92 AromaticContact CD2-CZ3 3.83Å; F87-W92 HydrophobicContact CD2-CZ3 3.83Å; F87-W92 HydrophobicContact CE2-CE3 4.22Å; F87-W92 AromaticContact CE2-CZ3 3.96Å; F87-W92 HydrophobicContact CE2-CZ3 3.96Å; F87-W92 HydrophobicContact CG-CE3 4.1Å; S88-W92 WeakPolarHBondContact O-CB 3.5Å; S88-W92 PolarHBondContact O-N 2.82Å; D90-W92 VanDerWaalsContact C-N 3.35Å; W92-Q94 VanDerWaalsContact C-N 3.33Å; W92-Q94 PolarHBondContact O-N 3.06Å; W92-I95 HydrophobicContact CE3-CD1 4.33Å; W92-I95 PolarHBondContact O-N 3.49Å; W92-V96 WeakPolarHBondContact O-CB 3.35Å; W92-V96 VanDerWaalsContact O-CG2 3.29Å; W92-V96 WeakPolarHBondContact O-CG2 3.23Å; W92-V96 PolarHBondContact O-N 3.15Å
93	N	84.4	Confident	82	Confident	80 Å²	80	95 Å²	95	43%	0.428	49%	0.49	S	S	.	.	H	α-helix	trans	-59.2	-43.8	171.7	-71.2	-25.4	0	0	0	111.4	K89 D90 V96 D97	K89-N93 WeakPolarHBondContact O-CB 3.47Å; K89-N93 PolarHBondContact O-N 3.16Å; K89-N93 PolarHBondContact O-ND2 2.95Å; K89-N93 VanDerWaalsContact O-ND2 3.09Å; D90-N93 PolarHBondContact O-N 2.98Å; N93-V96 PolarHBondContact O-N 3.45Å; N93-D97 WeakPolarHBondContact O-CB 3.44Å; N93-D97 PolarHBondContact O-N 3.45Å
94	Q	86.5	Confident	83	Confident	112 Å²	112	95.1 Å²	95.1	52%	0.523	48%	0.484	S	S	.	.	H	α-helix	trans	-60.6	-46.8	176	-172.9	66.9	58.4	0	0	111.7	D90 E91 W92 V96 D97 D98	D90-Q94 PolarHBondContact O-N 2.55Å; E91-Q94 PolarHBondContact O-N 2.95Å; W92-Q94 VanDerWaalsContact C-N 3.33Å; W92-Q94 PolarHBondContact O-N 3.06Å; Q94-V96 VanDerWaalsContact C-N 3.3Å; Q94-V96 PolarHBondContact O-N 3.34Å; Q94-D97 PolarHBondContact O-N 2.99Å; Q94-D98 PolarHBondContact NE2-OD1 3.21Å; Q94-D98 WeakPolarHBondContact O-CB 3.38Å; Q94-D98 PolarHBondContact O-N 2.94Å
95	I	84.6	Confident	84.1	Confident	59 Å²	59	95.6 Å²	95.6	30%	0.303	49%	0.486	S	S	.	.	H	α-helix	trans	-60.3	-40.8	176.8	-68.6	162.5	0	0	0	111.2	F87 E91 W92 L99	F87-I95 HydrophobicContact CD1-CD1 3.99Å; F87-I95 HydrophobicContact CE1-CD1 4.01Å; F87-I95 HydrophobicContact CG-CD1 4.45Å; F87-I95 HydrophobicContact CZ-CD1 4.5Å; E91-I95 VanDerWaalsContact O-CG1 3.3Å; E91-I95 WeakPolarHBondContact O-CG1 3.46Å; E91-I95 PolarHBondContact O-N 3.18Å; W92-I95 HydrophobicContact CE3-CD1 4.33Å; W92-I95 PolarHBondContact O-N 3.49Å; I95-L99 HydrophobicContact CG2-CD1 4.03Å; I95-L99 WeakPolarHBondContact O-CB 3.45Å; I95-L99 WeakPolarHBondContact O-CD1 3.16Å; I95-L99 WeakPolarHBondContact O-CG 3.29Å; I95-L99 PolarHBondContact O-N 3.07Å
96	V	88.1	Confident	84.7	Confident	57 Å²	57	93.4 Å²	93.4	35%	0.345	46%	0.464	S	S	.	.	H	α-helix	trans	-69.8	-34.7	178.4	167.9	0	0	0	0	112.3	W92 N93 Q94 R100	W92-V96 WeakPolarHBondContact O-CB 3.35Å; W92-V96 VanDerWaalsContact O-CG2 3.29Å; W92-V96 WeakPolarHBondContact O-CG2 3.23Å; W92-V96 PolarHBondContact O-N 3.15Å; N93-V96 PolarHBondContact O-N 3.45Å; Q94-V96 VanDerWaalsContact C-N 3.3Å; Q94-V96 PolarHBondContact O-N 3.34Å; V96-R100 WeakPolarHBondContact O-CB 3.23Å; V96-R100 PolarHBondContact O-N 3.16Å
97	D	88.3	Confident	85.2	Confident	68 Å²	68	94.8 Å²	94.8	36%	0.364	46%	0.464	S	S	.	.	H	α-helix	trans	-76.5	-38	176.3	-76.2	-2	0	0	0	111.9	N93 Q94 R100 T101	N93-D97 WeakPolarHBondContact O-CB 3.44Å; N93-D97 PolarHBondContact O-N 3.45Å; Q94-D97 PolarHBondContact O-N 2.99Å; D97-R100 PolarHBondContact O-N 3.25Å; D97-R100 IonicContact OD1-CZ 3.57Å; D97-R100 IonicContact OD1-NH1 2.67Å; D97-R100 PolarHBondContact OD1-NH1 3.03Å; D97-R100 IonicContact OD1-NH2 3.64Å; D97-R100 PolarHBondContact OD1-NH2 2.69Å; D97-T101 WeakPolarHBondContact O-CG2 3.39Å; D97-T101 PolarHBondContact O-N 2.9Å; D97-T101 PolarHBondContact O-OG1 3.38Å; D97-T101 VanDerWaalsContact O-OG1 3.12Å
98	D	87.3	Confident	85.4	Confident	86 Å²	86	97.2 Å²	97.2	46%	0.46	47%	0.474	S	S	.	.	H	α-helix	trans	-61	-45.1	171.1	-70.8	-6.8	0	0	0	110.7	Q94 R100 T101 W102	Q94-D98 PolarHBondContact NE2-OD1 3.21Å; Q94-D98 WeakPolarHBondContact O-CB 3.38Å; Q94-D98 PolarHBondContact O-N 2.94Å; D98-R100 VanDerWaalsContact C-N 3.31Å; D98-R100 PolarHBondContact O-N 3.26Å; D98-T101 WeakPolarHBondContact CA-OG1 3.48Å; D98-T101 PolarHBondContact O-N 3.18Å; D98-T101 PolarHBondContact O-OG1 2.95Å; D98-W102 WeakPolarHBondContact O-CB 3.33Å; D98-W102 PolarHBondContact O-N 3.39Å
99	L	87.3	Confident	84.9	Confident	105 Å²	105	97.9 Å²	97.9	55%	0.55	48%	0.477	S	S	.	.	H	α-helix	trans	-63.9	-34.3	174.1	-74.8	169.1	0	0	0	112.5	I95 A103	I95-L99 HydrophobicContact CG2-CD1 4.03Å; I95-L99 WeakPolarHBondContact O-CB 3.45Å; I95-L99 WeakPolarHBondContact O-CD1 3.16Å; I95-L99 WeakPolarHBondContact O-CG 3.29Å; I95-L99 PolarHBondContact O-N 3.07Å; L99-A103 VanDerWaalsContact O-CB 3.31Å; L99-A103 WeakPolarHBondContact O-CB 3.33Å; L99-A103 PolarHBondContact O-N 3.15Å
100	R	89.1	Confident	84.7	Confident	119 Å²	119	94.7 Å²	94.7	45%	0.449	46%	0.464	S	S	.	.	H	α-helix	trans	-70	-46.7	175.9	-165.6	-173.7	-51.1	113.3	18.3	111.5	V96 D97 D98 W102 A103 E104	V96-R100 WeakPolarHBondContact O-CB 3.23Å; V96-R100 PolarHBondContact O-N 3.16Å; D97-R100 PolarHBondContact O-N 3.25Å; D97-R100 IonicContact OD1-CZ 3.57Å; D97-R100 IonicContact OD1-NH1 2.67Å; D97-R100 PolarHBondContact OD1-NH1 3.03Å; D97-R100 IonicContact OD1-NH2 3.64Å; D97-R100 PolarHBondContact OD1-NH2 2.69Å; D98-R100 VanDerWaalsContact C-N 3.31Å; D98-R100 PolarHBondContact O-N 3.26Å; R100-W102 PolarHBondContact O-N 3.08Å; R100-A103 PolarHBondContact O-N 3.47Å; R100-E104 WeakPolarHBondContact O-CG 3.3Å; R100-E104 PolarHBondContact O-N 3.22Å
101	T	90.3	Very high	84.5	Confident	86 Å²	86	92.1 Å²	92.1	53%	0.528	45%	0.453	S	S	.	.	H	α-helix	trans	-62.3	-42.9	177.9	51.1	0	0	0	0	111.2	D97 D98 A103 E104 E105	D97-T101 WeakPolarHBondContact O-CG2 3.39Å; D97-T101 PolarHBondContact O-N 2.9Å; D97-T101 PolarHBondContact O-OG1 3.38Å; D97-T101 VanDerWaalsContact O-OG1 3.12Å; D98-T101 WeakPolarHBondContact CA-OG1 3.48Å; D98-T101 PolarHBondContact O-N 3.18Å; D98-T101 PolarHBondContact O-OG1 2.95Å; T101-A103 PolarHBondContact O-N 3.31Å; T101-E104 PolarHBondContact O-N 2.76Å; T101-E105 VanDerWaalsContact O-CB 3.31Å; T101-E105 WeakPolarHBondContact O-CB 3.45Å; T101-E105 PolarHBondContact O-N 3.33Å
102	W	87.7	Confident	84.2	Confident	160 Å²	160	91.7 Å²	91.7	61%	0.606	45%	0.454	S	S	*	.	H	α-helix	trans	-60	-42.1	172.4	177.8	76.9	0	0	0	113	D98 R100 E105 T106	D98-W102 WeakPolarHBondContact O-CB 3.33Å; D98-W102 PolarHBondContact O-N 3.39Å; R100-W102 PolarHBondContact O-N 3.08Å; W102-E105 PolarHBondContact O-N 3.49Å; W102-T106 VanDerWaalsContact O-CB 3.28Å; W102-T106 WeakPolarHBondContact O-CB 3.3Å; W102-T106 PolarHBondContact O-N 3.42Å; W102-T106 PolarHBondContact O-OG1 2.93Å
103	A	88.1	Confident	83.1	Confident	41 Å²	41	94.3 Å²	94.3	34%	0.339	47%	0.472	S	S	.	.	H	α-helix	trans	-68.6	-34.2	177.9	0	0	0	0	0	113	L99 R100 T101 K107	L99-A103 VanDerWaalsContact O-CB 3.31Å; L99-A103 WeakPolarHBondContact O-CB 3.33Å; L99-A103 PolarHBondContact O-N 3.15Å; R100-A103 PolarHBondContact O-N 3.47Å; T101-A103 PolarHBondContact O-N 3.31Å; A103-K107 WeakPolarHBondContact O-CB 3.45Å; A103-K107 WeakPolarHBondContact O-CG 3.3Å; A103-K107 PolarHBondContact O-N 2.93Å; A103-K107 VanDerWaalsContact O-N 3.08Å
104	E	88.1	Confident	82.1	Confident	94 Å²	94	96.6 Å²	96.6	44%	0.439	48%	0.479	S	S	.	.	H	α-helix	trans	-72.4	-40.1	173.6	-74.6	-179.9	-153.9	0	0	112.5	R100 T101 K107 K108	R100-E104 WeakPolarHBondContact O-CG 3.3Å; R100-E104 PolarHBondContact O-N 3.22Å; T101-E104 PolarHBondContact O-N 2.76Å; E104-K107 PolarHBondContact O-N 3.18Å; E104-K108 WeakPolarHBondContact O-CG 3.37Å; E104-K108 PolarHBondContact O-N 2.97Å
105	E	87.3	Confident	80.6	Confident	130 Å²	130	98.4 Å²	98.4	61%	0.607	49%	0.487	S	S	*	.	H	α-helix	trans	-66.1	-44.7	175.4	-171	167.5	-117.5	0	0	111	T101 W102 K107 K108 T109	T101-E105 VanDerWaalsContact O-CB 3.31Å; T101-E105 WeakPolarHBondContact O-CB 3.45Å; T101-E105 PolarHBondContact O-N 3.33Å; W102-E105 PolarHBondContact O-N 3.49Å; E105-K107 VanDerWaalsContact C-N 3.33Å; E105-K107 PolarHBondContact O-N 2.95Å; E105-K108 WeakPolarHBondContact O-CB 3.48Å; E105-K108 PolarHBondContact O-N 3.43Å; E105-K108 VanDerWaalsContact O-N 3.09Å; E105-T109 PolarHBondContact O-N 2.82Å
106	T	82.9	Confident	78.9	Confident	51 Å²	51	102.4 Å²	102.4	31%	0.313	51%	0.505	S	S	.	.	H	α-helix	trans	-56.7	-46.9	172.3	-58	0	0	0	0	110.8	W102 K108 T109 E110	W102-T106 VanDerWaalsContact O-CB 3.28Å; W102-T106 WeakPolarHBondContact O-CB 3.3Å; W102-T106 PolarHBondContact O-N 3.42Å; W102-T106 PolarHBondContact O-OG1 2.93Å; T106-K108 PolarHBondContact O-N 2.92Å; T106-T109 PolarHBondContact O-N 2.8Å; T106-T109 PolarHBondContact O-OG1 3.03Å; T106-E110 PolarHBondContact O-N 3.17Å
107	K	83.6	Confident	76.6	Confident	140 Å²	140	103.4 Å²	103.4	61%	0.609	51%	0.514	S	S	*	.	H	α-helix	trans	-60.7	-40.2	174.6	-82	175.1	177.6	176.5	0	113.2	A103 E104 E105 E110 T111	A103-K107 WeakPolarHBondContact O-CB 3.45Å; A103-K107 WeakPolarHBondContact O-CG 3.3Å; A103-K107 PolarHBondContact O-N 2.93Å; A103-K107 VanDerWaalsContact O-N 3.08Å; E104-K107 PolarHBondContact O-N 3.18Å; E105-K107 VanDerWaalsContact C-N 3.33Å; E105-K107 PolarHBondContact O-N 2.95Å; K107-E110 CarbonylContact O-C 3.47Å; K107-E110 PolarHBondContact O-N 2.9Å; K107-T111 PolarHBondContact O-N 3.1Å; K107-T111 PolarHBondContact O-OG1 3.02Å
108	K	81.7	Confident	74.6	Confident	125 Å²	125	108.4 Å²	108.4	54%	0.543	54%	0.537	S	S	.	.	H	α-helix	trans	-63.2	-40.4	175.5	-74.5	163.5	-176.6	161.7	0	111.6	E104 E105 T106 E110 T111 L112	E104-K108 WeakPolarHBondContact O-CG 3.37Å; E104-K108 PolarHBondContact O-N 2.97Å; E105-K108 WeakPolarHBondContact O-CB 3.48Å; E105-K108 PolarHBondContact O-N 3.43Å; E105-K108 VanDerWaalsContact O-N 3.09Å; T106-K108 PolarHBondContact O-N 2.92Å; K108-E110 VanDerWaalsContact C-N 3.34Å; K108-T111 WeakPolarHBondContact CA-OG1 3.26Å; K108-T111 PolarHBondContact O-N 3.45Å; K108-T111 PolarHBondContact O-OG1 3.19Å; K108-L112 WeakPolarHBondContact O-CB 3.11Å; K108-L112 VanDerWaalsContact O-CG 3.29Å; K108-L112 WeakPolarHBondContact O-CG 3.41Å; K108-L112 PolarHBondContact O-N 3.05Å
109	T	73.6	Confident	72.7	Confident	70 Å²	70	112.2 Å²	112.2	43%	0.429	55%	0.55	S	S	.	*	H	α-helix	trans	-66.1	-36.9	172.2	63.9	0	0	0	0	112	E105 T106 T111 L112 L113	E105-T109 PolarHBondContact O-N 2.82Å; T106-T109 PolarHBondContact O-N 2.8Å; T106-T109 PolarHBondContact O-OG1 3.03Å; T109-T111 PolarHBondContact O-N 2.95Å; T109-L112 PolarHBondContact O-N 3.25Å; T109-L113 WeakPolarHBondContact O-CB 3.36Å; T109-L113 VanDerWaalsContact O-CG 3.23Å; T109-L113 WeakPolarHBondContact O-CG 3.49Å; T109-L113 PolarHBondContact O-N 2.95Å
110	E	75.3	Confident	70.4	Confident	101 Å²	101	116.1 Å²	116.1	47%	0.472	57%	0.565	S	S	.	*	H	α-helix	trans	-70	-28.8	177	-154.6	-159.9	153.5	0	0	113	T106 K107 K108 K114	T106-E110 PolarHBondContact O-N 3.17Å; K107-E110 CarbonylContact O-C 3.47Å; K107-E110 PolarHBondContact O-N 2.9Å; K108-E110 VanDerWaalsContact C-N 3.34Å; E110-K114 VanDerWaalsContact CD-NZ 3.32Å; E110-K114 VanDerWaalsContact O-CD 3.26Å; E110-K114 WeakPolarHBondContact O-CD 3.34Å; E110-K114 WeakPolarHBondContact O-CE 3.45Å; E110-K114 VanDerWaalsContact O-CG 3.24Å; E110-K114 WeakPolarHBondContact O-CG 3.36Å; E110-K114 WeakPolarHBondContact OE1-CE 3.48Å; E110-K114 IonicContact OE1-NZ 3.07Å; E110-K114 PolarHBondContact OE1-NZ 2.59Å
111	T	75.7	Confident	68	Low	70 Å²	70	117.7 Å²	117.7	43%	0.429	58%	0.583	S	S	.	*	H	α-helix	trans	-77.9	-42.5	171.7	50.5	0	0	0	0	111.8	K107 K108 T109 L113 K114 E115	K107-T111 PolarHBondContact O-N 3.1Å; K107-T111 PolarHBondContact O-OG1 3.02Å; K108-T111 WeakPolarHBondContact CA-OG1 3.26Å; K108-T111 PolarHBondContact O-N 3.45Å; K108-T111 PolarHBondContact O-OG1 3.19Å; T109-T111 PolarHBondContact O-N 2.95Å; T111-L113 VanDerWaalsContact C-N 3.33Å; T111-L113 PolarHBondContact O-N 3.12Å; T111-K114 CarbonylContact O-C 3.59Å; T111-K114 WeakPolarHBondContact O-CA 3.4Å; T111-K114 WeakPolarHBondContact O-CB 3.42Å; T111-K114 PolarHBondContact O-N 3.21Å; T111-E115 PolarHBondContact O-N 3.15Å
112	L	74.6	Confident	66	Low	98 Å²	98	118.7 Å²	118.7	51%	0.513	58%	0.584	S	S	.	*	H	α-helix	trans	-58.6	-44.7	174.8	-73.6	166.8	0	0	0	111.3	K108 T109 K114 E115 E116	K108-L112 WeakPolarHBondContact O-CB 3.11Å; K108-L112 VanDerWaalsContact O-CG 3.29Å; K108-L112 WeakPolarHBondContact O-CG 3.41Å; K108-L112 PolarHBondContact O-N 3.05Å; T109-L112 PolarHBondContact O-N 3.25Å; L112-K114 PolarHBondContact O-N 3.22Å; L112-K114 VanDerWaalsContact O-N 3.11Å; L112-E115 PolarHBondContact O-N 2.87Å; L112-E115 VanDerWaalsContact O-N 3.14Å; L112-E116 PolarHBondContact O-N 3.41Å
113	L	60	Low	63.7	Low	128 Å²	128	117 Å²	117	67%	0.67	60%	0.597	S	S	*	*	H	α-helix	trans	-68.3	-5	175	-69.4	169.7	0	0	0	114.7	T109 T111	T109-L113 WeakPolarHBondContact O-CB 3.36Å; T109-L113 VanDerWaalsContact O-CG 3.23Å; T109-L113 WeakPolarHBondContact O-CG 3.49Å; T109-L113 PolarHBondContact O-N 2.95Å; T111-L113 VanDerWaalsContact C-N 3.33Å; T111-L113 PolarHBondContact O-N 3.12Å
114	K	63.3	Low	61.6	Low	128 Å²	128	122 Å²	122	56%	0.557	62%	0.618	S	S	*	*	H	α-helix	trans	-104.6	-26	171	-72.2	168.6	-169.5	166.6	0	112.6	E110 T111 L112	E110-K114 VanDerWaalsContact CD-NZ 3.32Å; E110-K114 VanDerWaalsContact O-CD 3.26Å; E110-K114 WeakPolarHBondContact O-CD 3.34Å; E110-K114 WeakPolarHBondContact O-CE 3.45Å; E110-K114 VanDerWaalsContact O-CG 3.24Å; E110-K114 WeakPolarHBondContact O-CG 3.36Å; E110-K114 WeakPolarHBondContact OE1-CE 3.48Å; E110-K114 IonicContact OE1-NZ 3.07Å; E110-K114 PolarHBondContact OE1-NZ 2.59Å; T111-K114 CarbonylContact O-C 3.59Å; T111-K114 WeakPolarHBondContact O-CA 3.4Å; T111-K114 WeakPolarHBondContact O-CB 3.42Å; T111-K114 PolarHBondContact O-N 3.21Å; L112-K114 PolarHBondContact O-N 3.22Å; L112-K114 VanDerWaalsContact O-N 3.11Å
115	E	55.7	Low	59.4	Low	150 Å²	150	122.1 Å²	122.1	70%	0.701	63%	0.625	S	S	*	*	H	α-helix	trans	-82.6	-26.5	173.2	-69.4	176.3	167.6	0	0	111.7	T111 L112 S117	T111-E115 PolarHBondContact O-N 3.15Å; L112-E115 PolarHBondContact O-N 2.87Å; L112-E115 VanDerWaalsContact O-N 3.14Å; E115-S117 PolarHBondContact O-N 3.41Å
116	E	48.9	Very low	57.7	Low	144 Å²	144	125.7 Å²	125.7	67%	0.673	64%	0.638	S	S	*	*	S	Bend	trans	-74.5	51.5	164.4	-69.2	-168.5	126.4	0	0	112	L112 M118	L112-E116 PolarHBondContact O-N 3.41Å; E116-M118 PolarHBondContact O-N 3.29Å
117	S	40.3	Very low	56	Low	78 Å²	78	129.4 Å²	129.4	55%	0.545	66%	0.655	S	S	.	*			trans	-76	67.1	-178	63.6	0	0	0	0	112.9	E115 F119	E115-S117 PolarHBondContact O-N 3.41Å; S117-F119 PolarHBondContact O-N 3.07Å
118	M	45.7	Very low	53.6	Low	173 Å²	173	127.7 Å²	127.7	85%	0.852	66%	0.658	S	S	*	*			trans	-65.6	9.9	167.3	-82.1	-71.7	-63.3	0	0	114	E116	E116-M118 PolarHBondContact O-N 3.29Å
119	F	46.8	Very low	51.8	Low	166 Å²	166	127.8 Å²	127.8	73%	0.728	67%	0.672	S	S	*	*			trans	-136.3	78.5	179.2	-83.7	-69.1	0	0	0	111	S117 L122	S117-F119 PolarHBondContact O-N 3.07Å; F119-L122 HydrophobicContact CD1-CB 4.5Å; F119-L122 HydrophobicContact CD1-CD1 3.55Å; F119-L122 HydrophobicContact CD1-CG 3.92Å; F119-L122 HydrophobicContact CE1-CD1 3.43Å; F119-L122 VanDerWaalsContact CE1-CD1 3.43Å; F119-L122 HydrophobicContact CE1-CG 4.09Å; F119-L122 HydrophobicContact CZ-CD1 4.45Å
120	E	39.7	Very low	50.3	Low	186 Å²	186	131.7 Å²	131.7	87%	0.869	69%	0.688	S	S	*	*	S	Bend	trans	-98.7	-9.8	164.6	-152.3	163.7	-152.6	0	0	112.1
121	D	39.8	Very low	48.6	Very low	152 Å²	152	138.7 Å²	138.7	81%	0.813	71%	0.71	S	S	*	*	S	Bend	trans	-113.1	37	-166.8	-143.9	14.2	0	0	0	114
122	L	47.4	Very low	46.6	Very low	108 Å²	108	139.3 Å²	139.3	57%	0.565	72%	0.718	S	S	*	*			trans	-130.3	46.8	176.1	-80.8	-171.2	0	0	0	113.5	F119 D124 V125	F119-L122 HydrophobicContact CD1-CB 4.5Å; F119-L122 HydrophobicContact CD1-CD1 3.55Å; F119-L122 HydrophobicContact CD1-CG 3.92Å; F119-L122 HydrophobicContact CE1-CD1 3.43Å; F119-L122 VanDerWaalsContact CE1-CD1 3.43Å; F119-L122 HydrophobicContact CE1-CG 4.09Å; F119-L122 HydrophobicContact CZ-CD1 4.45Å; L122-D124 VanDerWaalsContact C-N 3.26Å; L122-D124 PolarHBondContact O-N 3.24Å; L122-V125 HydrophobicContact CD2-CG2 4.16Å
123	S	40	Very low	44.8	Very low	123 Å²	123	140.4 Å²	140.4	86%	0.86	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-8.5	178.3	56.1	0	0	0	0	115.6
124	D	44.3	Very low	44.1	Very low	147 Å²	147	141.5 Å²	141.5	79%	0.786	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.4	8.1	-164.7	-137.1	-9.3	0	0	0	116.1	L122	L122-D124 VanDerWaalsContact C-N 3.26Å; L122-D124 PolarHBondContact O-N 3.24Å
125	V	41	Very low	42.4	Very low	96 Å²	96	140.8 Å²	140.8	58%	0.582	75%	0.75	S	S	*	*			trans	-96.3	113.7	175.3	-174.5	0	0	0	0	111.1	L122 I127	L122-V125 HydrophobicContact CD2-CG2 4.16Å; V125-I127 VanDerWaalsContact C-N 3.3Å; V125-I127 HydrophobicContact CG1-CG1 4.01Å; V125-I127 PolarHBondContact O-N 3.49Å
126	K	50.7	Low	41.3	Very low	205 Å²	205	143.8 Å²	143.8	89%	0.891	76%	0.761	S	S	*	*			trans	-71.7	74.4	178.7	-74.5	174.6	179.1	160	0	113.4
127	I	47	Very low	40.5	Very low	129 Å²	129	142.9 Å²	142.9	66%	0.662	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-80.6	132.2	165.5	-53.1	-179.9	0	0	0	108.4	V125	V125-I127 VanDerWaalsContact C-N 3.3Å; V125-I127 HydrophobicContact CG1-CG1 4.01Å; V125-I127 PolarHBondContact O-N 3.49Å
128	P	33.8	Very low	40.1	Very low	104 Å²	104	144.9 Å²	144.9	68%	0.675	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-67.1	146.8	174.3	28.6	-34.6	0	0	0	110.8	I130	P128-I130 PolarHBondContact O-N 3.46Å
129	P	44.3	Very low	39.6	Very low	128 Å²	128	144.9 Å²	144.9	83%	0.831	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-57.3	126.1	-174.7	-26.4	34.7	0	0	0	113.1	R131	P129-R131 PolarHBondContact O-N 2.86Å
130	I	42.4	Very low	38.8	Very low	152 Å²	152	143.1 Å²	143.1	78%	0.779	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-61.7	132.7	166.1	-60.4	173.4	0	0	0	107.4	P128 S132	P128-I130 PolarHBondContact O-N 3.46Å; I130-S132 VanDerWaalsContact C-N 3.27Å; I130-S132 PolarHBondContact O-N 3.28Å
131	R	39	Very low	38.5	Very low	247 Å²	247	142.8 Å²	142.8	93%	0.932	77%	0.767	S	S	*	*			trans	-71.9	79.8	175.3	-78.3	-172.9	171.1	-167.2	-2.4	111.1	P129	P129-R131 PolarHBondContact O-N 2.86Å
132	S	34.9	Very low	38	Very low	84 Å²	84	141.7 Å²	141.7	59%	0.587	77%	0.766	S	S	*	*			trans	-79.3	151.5	152.5	61.4	0	0	0	0	109.5	I130 N134	I130-S132 VanDerWaalsContact C-N 3.27Å; I130-S132 PolarHBondContact O-N 3.28Å; S132-N134 PolarHBondContact O-N 3.38Å; S132-N134 VanDerWaalsContact O-N 3.12Å
133	S	36.8	Very low	37.1	Very low	120 Å²	120	141.1 Å²	141.1	84%	0.839	77%	0.771	S	S	*	*	S	Bend	trans	-76.1	0.2	-162.9	-51.4	0	0	0	0	116.1
134	N	43.5	Very low	36.4	Very low	152 Å²	152	142 Å²	142	81%	0.813	77%	0.766	S	S	*	*			trans	-142.5	92.8	-175.5	-79.2	-48.5	0	0	0	111.7	S132	S132-N134 PolarHBondContact O-N 3.38Å; S132-N134 VanDerWaalsContact O-N 3.12Å
135	C	29.1	Very low	35.9	Very low	112 Å²	112	140.9 Å²	140.9	76%	0.757	77%	0.766	S	S	*	*			trans	-153.8	103.6	164.8	-115	0	0	0	0	110.8
136	F	31.9	Very low	35.5	Very low	214 Å²	214	144.8 Å²	144.8	94%	0.939	78%	0.776	S	S	*	*			trans	-74.4	139.3	165.7	-96	-102.7	0	0	0	109.6
137	V	32.2	Very low	34.6	Very low	124 Å²	124	144.5 Å²	144.5	75%	0.752	78%	0.777	S	S	*	*			trans	-119.5	119.1	172.2	-177.8	0	0	0	0	109.1
138	P	32.1	Very low	33.7	Very low	120 Å²	120	144.4 Å²	144.4	78%	0.779	78%	0.783	S	S	*	*			trans	-73.1	149.8	-179.3	30	-34.6	0	0	0	112.1
139	H	35.1	Very low	33.6	Very low	174 Å²	174	150.9 Å²	150.9	81%	0.806	79%	0.794	S	S	*	*			trans	-76.1	136.1	173.6	-76.8	2.1	0	0	0	112.4
140	N	30.7	Very low	32.9	Very low	129 Å²	129	152.5 Å²	152.5	69%	0.69	80%	0.796	S	S	*	*				-173.2	135.1	121.3	-99.6	-61.6	0	0	0	112.4
141	K	33.1	Very low	32.5	Very low	178 Å²	178	150.2 Å²	150.2	77%	0.774	79%	0.791	S	S	*	*			trans	38.4	139.7	137.7	-54.6	167	-173	166.4	0	119.1
142	T	28.2	Very low	32.5	Very low	129 Å²	129	143.8 Å²	143.8	79%	0.791	78%	0.784	S	S	*	*			cis	-159.1	161.3	45.2	-45.7	0	0	0	0	113.3
143	S	28.2	Very low	32.7	Very low	96 Å²	96	149.8 Å²	149.8	67%	0.671	80%	0.799	S	S	*	*			trans	-59.7	163.3	169.3	41.3	0	0	0	0	114.8
144	L	25.7	Very low	32.6	Very low	143 Å²	143	154.8 Å²	154.8	75%	0.749	80%	0.8	S	S	*	*			cis	-164.4	-167.4	-0.4	-107.2	166.6	0	0	0	106.4	K146	L144-K146 HydrophobicContact CD2-CG 4.44Å
145	P	35.1	Very low	32.5	Very low	122 Å²	122	153.8 Å²	153.8	79%	0.792	80%	0.799	S	S	*	*			cis	-123.6	-166.5	2.4	42.6	-25	0	0	0	115.3
146	K	32.5	Very low	33.5	Very low	179 Å²	179	154 Å²	154	78%	0.778	80%	0.797	S	S	*	*			trans	-109.2	152.9	-170.6	-55.2	169.5	-176.4	171.6	0	112.7	L144	L144-K146 HydrophobicContact CD2-CG 4.44Å
147	Q	31.4	Very low	34.1	Very low	198 Å²	198	149.7 Å²	149.7	93%	0.925	79%	0.79	S	S	*	*			trans	-120.4	154	143.2	-78.6	-162.8	-0	0	0	110.2
148	T	28.9	Very low	35.2	Very low	128 Å²	128	152.3 Å²	152.3	79%	0.785	79%	0.786	S	S	*	*			trans	-103.5	123.3	-158.4	41.5	0	0	0	0	113.8
149	R	30.5	Very low	36.4	Very low	239 Å²	239	152 Å²	152	90%	0.902	78%	0.778	S	S	*	*			trans	-136.6	134.8	153.8	-72.1	-169.7	172.7	-176	-2.3	109	P151	R149-P151 WeakPolarHBondContact O-CD 3.08Å
150	N	29.4	Very low	37.5	Very low	162 Å²	162	153 Å²	153	87%	0.866	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-70.5	120.9	-175	-68	-15.9	0	0	0	110.8
151	P	34.9	Very low	39.1	Very low	105 Å²	105	153.9 Å²	153.9	68%	0.682	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-79.6	135.2	167.8	32.5	-31.3	0	0	0	109.9	R149	R149-P151 WeakPolarHBondContact O-CD 3.08Å
152	S	38.8	Very low	40.3	Very low	112 Å²	112	149.7 Å²	149.7	78%	0.783	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-57.5	149.5	156.4	45.5	0	0	0	0	109.4	R154	S152-R154 PolarHBondContact O-N 2.8Å
153	K	37.8	Very low	41.7	Very low	210 Å²	210	151.6 Å²	151.6	91%	0.913	75%	0.752	S	S	*	*			trans	-47.9	106	-169.3	-66.8	178.6	179.5	178.1	0	112	V155	K153-V155 PolarHBondContact O-N 2.79Å
154	R	35.8	Very low	43.2	Very low	224 Å²	224	154 Å²	154	85%	0.845	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-67.3	121.7	160.6	-77	-173.8	174	-176.6	-2.3	107.3	S152 V156	S152-R154 PolarHBondContact O-N 2.8Å; R154-V156 PolarHBondContact O-N 2.96Å
155	V	41.7	Very low	45	Very low	132 Å²	132	155.5 Å²	155.5	80%	0.8	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-66	118.1	171.3	179	0	0	0	0	107.5	K153	K153-V155 PolarHBondContact O-N 2.79Å
156	V	48.9	Very low	46.1	Very low	117 Å²	117	154.8 Å²	154.8	71%	0.709	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-71.1	138.5	168.2	-176.3	0	0	0	0	107.1	R154 R158	R154-V156 PolarHBondContact O-N 2.96Å; V156-R158 PolarHBondContact O-N 3.43Å; V156-R158 VanDerWaalsContact O-N 3.14Å
157	P	44.9	Very low	47.6	Very low	123 Å²	123	150.2 Å²	150.2	80%	0.799	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-53.3	122.3	170.7	-24.8	34.7	0	0	0	109.7
158	R	55	Low	49	Very low	179 Å²	179	145 Å²	145	68%	0.675	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-67.6	147.1	177.1	-70.1	178.4	177.6	-108.8	17.4	109.8	V156 E162	V156-R158 PolarHBondContact O-N 3.43Å; V156-R158 VanDerWaalsContact O-N 3.14Å; R158-E162 WeakPolarHBondContact CB-OE2 3.44Å; R158-E162 WeakPolarHBondContact CD-OE2 3.29Å; R158-E162 VanDerWaalsContact CG-OE2 3.23Å; R158-E162 WeakPolarHBondContact CG-OE2 3.35Å; R158-E162 IonicContact CZ-OE2 3.94Å; R158-E162 IonicContact NE-OE2 3.61Å; R158-E162 IonicContact NH1-OE2 2.6Å; R158-E162 PolarHBondContact NH1-OE2 2.85Å
159	D	57.4	Low	50.6	Low	113 Å²	113	146.7 Å²	146.7	60%	0.604	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-70.3	150	175.4	-149.7	-30.1	0	0	0	110.4	Q161 E162	D159-Q161 PolarHBondContact O-N 3.08Å; D159-E162 PolarHBondContact O-N 3.4Å
160	Y	59.6	Low	52.5	Low	196 Å²	196	140.3 Å²	140.3	77%	0.769	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-62.5	-29.2	-174.9	-91.3	-87	0	0	0	112.3	E162 W163	Y160-E162 PolarHBondContact O-N 3.1Å; Y160-E162 VanDerWaalsContact O-N 3.15Å; Y160-W163 WeakPolarHBondContact O-CB 3.49Å; Y160-W163 PolarHBondContact O-N 2.87Å
161	Q	63.3	Low	54.2	Low	147 Å²	147	136.6 Å²	136.6	69%	0.687	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-69	-4.7	175.6	-63	-174.2	-7.9	0	0	114.8	D159	D159-Q161 PolarHBondContact O-N 3.08Å
162	E	58	Low	55.1	Low	89 Å²	89	134.8 Å²	134.8	42%	0.416	65%	0.654	S	S	.	*	G	3₁₀ helix	trans	-84.5	-21	168.1	-64.3	-161.4	156.4	0	0	112.9	R158 D159 Y160 K165	R158-E162 WeakPolarHBondContact CB-OE2 3.44Å; R158-E162 WeakPolarHBondContact CD-OE2 3.29Å; R158-E162 VanDerWaalsContact CG-OE2 3.23Å; R158-E162 WeakPolarHBondContact CG-OE2 3.35Å; R158-E162 IonicContact CZ-OE2 3.94Å; R158-E162 IonicContact NE-OE2 3.61Å; R158-E162 IonicContact NH1-OE2 2.6Å; R158-E162 PolarHBondContact NH1-OE2 2.85Å; D159-E162 PolarHBondContact O-N 3.4Å; Y160-E162 PolarHBondContact O-N 3.1Å; Y160-E162 VanDerWaalsContact O-N 3.15Å; E162-K165 PolarHBondContact O-N 3.39Å
163	W	58.1	Low	56.1	Low	169 Å²	169	131.7 Å²	131.7	64%	0.64	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-70.1	-35.2	179	-78	81.5	0	0	0	112.5	Y160 K165 F166	Y160-W163 WeakPolarHBondContact O-CB 3.49Å; Y160-W163 PolarHBondContact O-N 2.87Å; W163-K165 PolarHBondContact O-N 3.03Å; W163-F166 WeakPolarHBondContact O-CB 3.47Å; W163-F166 PolarHBondContact O-N 3.37Å
164	D	60.3	Low	57.3	Low	146 Å²	146	126.6 Å²	126.6	78%	0.781	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-63.8	-7.5	174.5	-60.8	-33.8	0	0	0	113.6
165	K	62.7	Low	58.2	Low	175 Å²	175	121.1 Å²	121.1	76%	0.761	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-112.2	2.2	176.7	-61.3	172.2	-173.6	163.6	0	112.7	E162 W163 N167	E162-K165 PolarHBondContact O-N 3.39Å; W163-K165 PolarHBondContact O-N 3.03Å; K165-N167 PolarHBondContact O-N 3.49Å
166	F	57.2	Low	58.6	Low	107 Å²	107	121.1 Å²	121.1	47%	0.469	61%	0.605	S	S	.	*			trans	-86.5	100	-178	-173	-99.5	0	0	0	110.2	W163 V168 E171	W163-F166 WeakPolarHBondContact O-CB 3.47Å; W163-F166 PolarHBondContact O-N 3.37Å; F166-V168 HydrophobicContact CD1-CG2 3.97Å; F166-V168 HydrophobicContact CE1-CG2 4.31Å; F166-V168 PolarHBondContact O-N 3.01Å; F166-E171 HydrophobicContact CE1-CG 4.42Å; F166-E171 HydrophobicContact CE2-CG 3.87Å; F166-E171 HydrophobicContact CZ-CB 4.05Å; F166-E171 HydrophobicContact CZ-CG 3.67Å
167	N	64.8	Low	58.3	Low	84 Å²	84	118.7 Å²	118.7	45%	0.449	60%	0.603	S	S	.	*			trans	-74.3	92.1	-179.5	-170.7	6.3	0	0	0	111.1	K165 E169 E170 E171	K165-N167 PolarHBondContact O-N 3.49Å; N167-E169 VanDerWaalsContact C-N 3.27Å; N167-E169 PolarHBondContact O-N 2.96Å; N167-E170 HydrophobicContact CB-CB 4.11Å; N167-E170 PolarHBondContact O-N 2.72Å; N167-E170 VanDerWaalsContact O-N 3.15Å; N167-E171 PolarHBondContact O-N 2.67Å
168	V	60.6	Low	58.2	Low	88 Å²	88	119.6 Å²	119.6	53%	0.533	60%	0.596	S	S	.	*	H	α-helix	trans	-55.1	-40.6	-175	-179.7	0	0	0	0	112.1	F166 E170 E171 C172	F166-V168 HydrophobicContact CD1-CG2 3.97Å; F166-V168 HydrophobicContact CE1-CG2 4.31Å; F166-V168 PolarHBondContact O-N 3.01Å; V168-E170 VanDerWaalsContact C-N 3.35Å; V168-E170 PolarHBondContact O-N 3.18Å; V168-E171 PolarHBondContact O-N 3.34Å; V168-C172 WeakPolarHBondContact O-CB 3.49Å; V168-C172 PolarHBondContact O-N 3.35Å; V168-C172 PolarHBondContact O-SG 3.47Å
169	E	63.1	Low	57.7	Low	163 Å²	163	119.1 Å²	119.1	76%	0.762	61%	0.606	S	S	*	*	H	α-helix	trans	-66.1	-36.5	-178.1	-61.1	-176.4	157.7	0	0	112.3	N167 G173	N167-E169 VanDerWaalsContact C-N 3.27Å; N167-E169 PolarHBondContact O-N 2.96Å; E169-G173 PolarHBondContact O-N 3.01Å
170	E	69.1	Low	56.8	Low	106 Å²	106	119.3 Å²	119.3	50%	0.495	61%	0.607	S	S	.	*	H	α-helix	trans	-70.4	-35.3	178.7	-161.1	-162.7	126.6	0	0	112.1	N167 V168 K174	N167-E170 HydrophobicContact CB-CB 4.11Å; N167-E170 PolarHBondContact O-N 2.72Å; N167-E170 VanDerWaalsContact O-N 3.15Å; V168-E170 VanDerWaalsContact C-N 3.35Å; V168-E170 PolarHBondContact O-N 3.18Å; E170-K174 WeakPolarHBondContact O-CD 3.07Å; E170-K174 VanDerWaalsContact O-CE 3.3Å; E170-K174 WeakPolarHBondContact O-CE 2.85Å; E170-K174 WeakPolarHBondContact O-CG 3.5Å; E170-K174 PolarHBondContact O-N 2.85Å; E170-K174 WeakPolarHBondContact OE1-CE 3.43Å; E170-K174 IonicContact OE1-NZ 3.91Å; E170-K174 PolarHBondContact OE1-NZ 3.26Å
171	E	65.9	Low	55.8	Low	83 Å²	83	114.2 Å²	114.2	39%	0.388	60%	0.598	S	S	.	*	H	α-helix	trans	-78	-35.5	175.9	-69.2	-68	131.5	0	0	112.2	F166 N167 V168 K174 V175	F166-E171 HydrophobicContact CE1-CG 4.42Å; F166-E171 HydrophobicContact CE2-CG 3.87Å; F166-E171 HydrophobicContact CZ-CB 4.05Å; F166-E171 HydrophobicContact CZ-CG 3.67Å; N167-E171 PolarHBondContact O-N 2.67Å; V168-E171 PolarHBondContact O-N 3.34Å; E171-K174 WeakPolarHBondContact O-CB 3.38Å; E171-K174 PolarHBondContact O-N 3.28Å; E171-K174 VanDerWaalsContact O-N 3.17Å; E171-K174 WeakPolarHBondContact OE1-CD 3.49Å; E171-K174 IonicContact OE1-NZ 3.65Å; E171-K174 PolarHBondContact OE1-NZ 2.97Å; E171-V175 PolarHBondContact O-N 3.43Å
172	C	54.3	Low	54.6	Low	67 Å²	67	113.1 Å²	113.1	45%	0.453	60%	0.604	S	S	.	*	H	α-helix	trans	-59.8	-45.1	169.5	-71.9	0	0	0	0	111.4	V168 K174 V175 D176	V168-C172 WeakPolarHBondContact O-CB 3.49Å; V168-C172 PolarHBondContact O-N 3.35Å; V168-C172 PolarHBondContact O-SG 3.47Å; C172-K174 PolarHBondContact O-N 2.87Å; C172-V175 WeakPolarHBondContact O-CB 3.48Å; C172-V175 PolarHBondContact O-N 2.95Å; C172-D176 PolarHBondContact O-N 3.31Å
173	G	60.4	Low	53.4	Low	48 Å²	48	113.6 Å²	113.6	50%	0.495	62%	0.623	S	S	.	*	H	α-helix	trans	-60.8	-23.8	175.3	0	0	0	0	0	114.6	E169 G177	E169-G173 PolarHBondContact O-N 3.01Å; G173-G177 PolarHBondContact O-N 3.08Å
174	K	61.8	Low	52.2	Low	103 Å²	103	116 Å²	116	45%	0.448	63%	0.632	S	S	.	*	H	α-helix	trans	-78.8	-26.1	173.1	-69	164	-158	171.7	0	112.8	E170 E171 C172	E170-K174 WeakPolarHBondContact O-CD 3.07Å; E170-K174 VanDerWaalsContact O-CE 3.3Å; E170-K174 WeakPolarHBondContact O-CE 2.85Å; E170-K174 WeakPolarHBondContact O-CG 3.5Å; E170-K174 PolarHBondContact O-N 2.85Å; E170-K174 WeakPolarHBondContact OE1-CE 3.43Å; E170-K174 IonicContact OE1-NZ 3.91Å; E170-K174 PolarHBondContact OE1-NZ 3.26Å; E171-K174 WeakPolarHBondContact O-CB 3.38Å; E171-K174 PolarHBondContact O-N 3.28Å; E171-K174 VanDerWaalsContact O-N 3.17Å; E171-K174 WeakPolarHBondContact OE1-CD 3.49Å; E171-K174 IonicContact OE1-NZ 3.65Å; E171-K174 PolarHBondContact OE1-NZ 2.97Å; C172-K174 PolarHBondContact O-N 2.87Å
175	V	55.4	Low	51	Low	108 Å²	108	116.8 Å²	116.8	66%	0.655	64%	0.635	S	S	*	*	H	α-helix	trans	-77	-48.4	174.3	176.9	0	0	0	0	110.4	E171 C172 G177 H178	E171-V175 PolarHBondContact O-N 3.43Å; C172-V175 WeakPolarHBondContact O-CB 3.48Å; C172-V175 PolarHBondContact O-N 2.95Å; V175-G177 PolarHBondContact O-N 2.9Å; V175-H178 PolarHBondContact O-N 2.88Å
176	D	49.3	Very low	49.5	Very low	133 Å²	133	116 Å²	116	71%	0.711	64%	0.639	S	S	*	*	H	α-helix	trans	-65.4	-21.1	-179.7	-68.1	-32	0	0	0	113.2	C172 H178	C172-D176 PolarHBondContact O-N 3.31Å; D176-H178 VanDerWaalsContact C-N 3.34Å; D176-H178 PolarHBondContact O-N 3.49Å
177	G	43.7	Very low	48.4	Very low	65 Å²	65	116.4 Å²	116.4	67%	0.67	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-14	176.3	0	0	0	0	0	115.6	G173 V175	G173-G177 PolarHBondContact O-N 3.08Å; V175-G177 PolarHBondContact O-N 2.9Å
178	H	42.7	Very low	47.1	Very low	142 Å²	142	115.1 Å²	115.1	66%	0.657	66%	0.662	S	S	*	*			trans	-114.9	85.9	-177.8	-140.3	-79.8	0	0	0	111.4	V175 D176 D180	V175-H178 PolarHBondContact O-N 2.88Å; D176-H178 VanDerWaalsContact C-N 3.34Å; D176-H178 PolarHBondContact O-N 3.49Å; H178-D180 IonicContact CE1-OD1 3.17Å; H178-D180 PolarHBondContact CE1-OD1 3.47Å; H178-D180 VanDerWaalsContact CE1-OD1 3.23Å; H178-D180 IonicContact ND1-OD1 2.73Å; H178-D180 PolarHBondContact ND1-OD1 2.85Å; H178-D180 PolarHBondContact O-N 3.11Å
179	L	44.9	Very low	46.2	Very low	170 Å²	170	117.7 Å²	117.7	89%	0.89	67%	0.668	S	S	*	*			trans	-70.1	71.6	170.8	-76.7	172.1	0	0	0	111.3
180	D	38.6	Very low	45.3	Very low	117 Å²	117	117 Å²	117	63%	0.626	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-61.8	134.7	166.6	-85.8	-0.9	0	0	0	109.7	H178	H178-D180 IonicContact CE1-OD1 3.17Å; H178-D180 PolarHBondContact CE1-OD1 3.47Å; H178-D180 VanDerWaalsContact CE1-OD1 3.23Å; H178-D180 IonicContact ND1-OD1 2.73Å; H178-D180 PolarHBondContact ND1-OD1 2.85Å; H178-D180 PolarHBondContact O-N 3.11Å
181	P	38.2	Very low	44.5	Very low	88 Å²	88	119.5 Å²	119.5	57%	0.571	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-62	149.9	175.5	27.3	-34.5	0	0	0	110.2	A183	P181-A183 PolarHBondContact O-N 2.85Å
182	P	37.6	Very low	44.5	Very low	125 Å²	125	117.4 Å²	117.4	81%	0.812	68%	0.676	S	S	*	*	S	Bend	trans	-51.1	132.5	-171.4	20.3	-33.7	0	0	0	111.4	R184	P182-R184 PolarHBondContact O-N 3.03Å; P182-R184 VanDerWaalsContact O-N 3.11Å
183	A	32.4	Very low	45.2	Very low	98 Å²	98	123.9 Å²	123.9	81%	0.81	69%	0.691	S	S	*	*			trans	-43.8	115.4	-162.7	0	0	0	0	0	112.6	P181 L185	P181-A183 PolarHBondContact O-N 2.85Å; A183-L185 PolarHBondContact O-N 2.69Å
184	R	33.6	Very low	45.7	Very low	220 Å²	220	129.5 Å²	129.5	83%	0.83	70%	0.697	S	S	*	*			trans	-61.7	111	169	-65.1	-175.3	-171.8	178.8	4.6	107.3	P182 N186	P182-R184 PolarHBondContact O-N 3.03Å; P182-R184 VanDerWaalsContact O-N 3.11Å; R184-N186 PolarHBondContact O-N 3.22Å; R184-N186 VanDerWaalsContact O-N 3.16Å
185	L	34.3	Very low	46	Very low	163 Å²	163	131.8 Å²	131.8	85%	0.853	71%	0.71	S	S	*	*			trans	-47.8	124.5	163.1	-75.4	165.6	0	0	0	107.5	A183 S187	A183-L185 PolarHBondContact O-N 2.69Å; L185-S187 VanDerWaalsContact C-N 3.28Å; L185-S187 PolarHBondContact O-N 2.78Å
186	N	31.7	Very low	46.8	Very low	159 Å²	159	128.7 Å²	128.7	85%	0.85	69%	0.691	S	S	*	*			trans	-68.3	89.4	180	-90.8	-44	0	0	0	109	R184 G188	R184-N186 PolarHBondContact O-N 3.22Å; R184-N186 VanDerWaalsContact O-N 3.16Å; N186-G188 PolarHBondContact O-N 2.93Å
187	S	34.4	Very low	47.6	Very low	115 Å²	115	128.8 Å²	128.8	80%	0.804	69%	0.691	S	S	*	*			trans	-72.6	34.7	175.7	69.7	0	0	0	0	112.6	L185	L185-S187 VanDerWaalsContact C-N 3.28Å; L185-S187 PolarHBondContact O-N 2.78Å
188	G	37.3	Very low	48.6	Very low	57 Å²	57	126.2 Å²	126.2	59%	0.588	66%	0.664	S	S	*	*	S	Bend	trans	-101	98.9	165.3	0	0	0	0	0	107.3	N186 L190	N186-G188 PolarHBondContact O-N 2.93Å; G188-L190 PolarHBondContact O-N 2.83Å
189	H	41.9	Very low	49.6	Very low	142 Å²	142	122.9 Å²	122.9	66%	0.657	66%	0.657	S	S	*	*			trans	-50.3	117.6	179.7	-61	-96.6	0	0	0	110.2	N191 E227	H189-N191 PolarHBondContact O-N 3.06Å; H189-E227 IonicContact CE1-OE2 3.93Å; H189-E227 PolarHBondContact CE1-OE2 2.45Å; H189-E227 IonicContact ND1-OE2 2.65Å
190	L	43.2	Very low	50	Low	148 Å²	148	120 Å²	120	78%	0.775	65%	0.649	S	S	*	*			trans	-60.9	121.9	163.7	-70.2	171.3	0	0	0	106.7	G188 I192	G188-L190 PolarHBondContact O-N 2.83Å; L190-I192 PolarHBondContact O-N 2.76Å
191	N	54.2	Low	51.6	Low	159 Å²	159	117.2 Å²	117.2	85%	0.85	63%	0.634	S	S	*	*			trans	-72.6	72.9	-179.9	-81	-56.5	0	0	0	110.4	H189 R193	H189-N191 PolarHBondContact O-N 3.06Å; N191-R193 PolarHBondContact O-N 2.85Å; N191-R193 VanDerWaalsContact O-N 3.14Å
192	I	65.4	Low	53.7	Low	38 Å²	38	116.2 Å²	116.2	20%	0.195	63%	0.629	C	S	.	*			trans	-61.2	114.3	174.8	-65.9	163	0	0	0	107.5	L190 R194 E228 A231 Y232	L190-I192 PolarHBondContact O-N 2.76Å; I192-R194 PolarHBondContact O-N 3.26Å; I192-R194 VanDerWaalsContact O-N 3.13Å; I192-E228 HydrophobicContact CD1-CG 3.32Å; I192-E228 WeakPolarHBondContact CD1-OE1 3.5Å; I192-A231 HydrophobicContact CB-CB 4.28Å; I192-A231 HydrophobicContact CG2-CB 4.05Å; I192-Y232 HydrophobicContact CD1-CE1 4.37Å; I192-Y232 HydrophobicContact CD1-CE2 4.28Å; I192-Y232 HydrophobicContact CG2-CD1 4.31Å; I192-Y232 HydrophobicContact CG2-CE1 4.06Å
193	R	67.9	Low	55.4	Low	204 Å²	204	116.2 Å²	116.2	77%	0.77	62%	0.618	S	S	*	*			trans	-62.1	117.4	177	-65.6	-173.3	178.7	-168.2	-0.6	108.7	N191 E195 R235	N191-R193 PolarHBondContact O-N 2.85Å; N191-R193 VanDerWaalsContact O-N 3.14Å; R193-E195 PolarHBondContact O-N 3.48Å; R193-R235 WeakPolarHBondContact O-CD 3.46Å
194	R	70.8	Confident	57.6	Low	165 Å²	165	118.3 Å²	118.3	62%	0.623	61%	0.611	S	S	*	*	S	Bend	trans	-73.7	-7.1	178.2	-61.5	179.5	-177.6	166.9	-0.2	113.1	I192 A231 S234 R235	I192-R194 PolarHBondContact O-N 3.26Å; I192-R194 VanDerWaalsContact O-N 3.13Å; R194-A231 HydrophobicContact CG-CB 4.44Å; R194-S234 CarbonylContact O-C 3.6Å; R194-R235 VanDerWaalsContact O-CA 3.22Å; R194-R235 WeakPolarHBondContact O-CA 3.28Å; R194-R235 PolarHBondContact O-N 3.14Å
195	E	68.4	Low	59.9	Low	152 Å²	152	112.7 Å²	112.7	71%	0.71	60%	0.595	S	S	*	*			trans	-132.3	143.7	-178.8	-73.4	158	-147.9	0	0	109.1	R193 S238	R193-E195 PolarHBondContact O-N 3.48Å; E195-S238 WeakPolarHBondContact CA-OG 3.35Å
196	V	73.2	Confident	62.3	Low	42 Å²	42	107.2 Å²	107.2	26%	0.255	56%	0.564	S	S	.	*			trans	-137.2	131.5	172.9	163.3	0	0	0	0	107.8	A198 R235 S238 I239	V196-A198 PolarHBondContact O-N 3.05Å; V196-R235 HydrophobicContact CG2-CG 3.98Å; V196-S238 PolarHBondContact N-OG 3.43Å; V196-I239 HydrophobicContact CB-CD1 4.23Å; V196-I239 HydrophobicContact CB-CG1 4.11Å; V196-I239 HydrophobicContact CG1-CD1 4.43Å; V196-I239 HydrophobicContact CG1-CG1 4.36Å
197	D	65.5	Low	65	Low	135 Å²	135	102.7 Å²	102.7	72%	0.722	54%	0.539	S	S	*	.			trans	-69.1	117.9	164.8	-167.1	-12.5	0	0	0	109	S199	D197-S199 WeakPolarHBondContact OD1-CB 3.45Å; D197-S199 PolarHBondContact OD1-N 3.48Å; D197-S199 PolarHBondContact OD1-OG 3.32Å
198	A	64.3	Low	67.5	Low	11 Å²	11	102.6 Å²	102.6	9%	0.091	53%	0.529	C	S	.	.			trans	-125.2	16.8	175.9	0	0	0	0	0	111	V196 C200 N201 K206 I239	V196-A198 PolarHBondContact O-N 3.05Å; A198-C200 PolarHBondContact O-N 3.2Å; A198-N201 PolarHBondContact O-N 3.39Å; A198-N201 VanDerWaalsContact O-N 3.13Å; A198-K206 WeakPolarHBondContact O-CE 3.48Å; A198-I239 HydrophobicContact CB-CG1 4.4Å; A198-I239 HydrophobicContact CB-CG2 4.03Å
199	S	63.5	Low	69.9	Low	73 Å²	73	102.2 Å²	102.2	51%	0.51	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.6	-52.3	-173.4	46.6	0	0	0	0	113.1	D197 N201 K206	D197-S199 WeakPolarHBondContact OD1-CB 3.45Å; D197-S199 PolarHBondContact OD1-N 3.48Å; D197-S199 PolarHBondContact OD1-OG 3.32Å; S199-N201 VanDerWaalsContact C-N 3.27Å; S199-N201 PolarHBondContact O-N 3.11Å; S199-K206 PolarHBondContact O-NZ 3.13Å
200	C	54.3	Low	72.2	Confident	108 Å²	108	95.5 Å²	95.5	73%	0.73	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-10.2	-175.5	-47.6	0	0	0	0	116	A198	A198-C200 PolarHBondContact O-N 3.2Å
201	N	71.7	Confident	74.5	Confident	59 Å²	59	90.8 Å²	90.8	32%	0.316	46%	0.458	S	S	.	.	S	Bend	trans	-81.5	151	-173.3	-63.4	5.7	0	0	0	112.4	A198 S199 E205 K206	A198-N201 PolarHBondContact O-N 3.39Å; A198-N201 VanDerWaalsContact O-N 3.13Å; S199-N201 VanDerWaalsContact C-N 3.27Å; S199-N201 PolarHBondContact O-N 3.11Å; N201-E205 HydrophobicContact CB-CB 4.17Å; N201-K206 HydrophobicContact CB-CG 3.9Å; N201-K206 WeakPolarHBondContact O-CD 3.23Å; N201-K206 WeakPolarHBondContact O-CE 3.36Å; N201-K206 PolarHBondContact O-NZ 3.27Å
202	S	82.3	Confident	76.3	Confident	67 Å²	67	91.2 Å²	91.2	47%	0.469	45%	0.448	S	S	.	.			trans	-61.1	155.9	169.9	175.6	0	0	0	0	112.1	Q204 E205 K206	S202-Q204 VanDerWaalsContact C-N 3.26Å; S202-Q204 PolarHBondContact O-N 2.95Å; S202-E205 WeakPolarHBondContact CB-OE2 3.4Å; S202-E205 PolarHBondContact N-OE2 3.48Å; S202-E205 PolarHBondContact O-N 2.95Å; S202-E205 VanDerWaalsContact O-N 3.15Å; S202-K206 WeakPolarHBondContact O-CB 3.19Å; S202-K206 WeakPolarHBondContact O-CG 3.19Å; S202-K206 PolarHBondContact O-N 2.84Å
203	H	73.9	Confident	77.5	Confident	125 Å²	125	89.7 Å²	89.7	58%	0.579	44%	0.44	S	S	*	.	H	α-helix	trans	-57.2	-39.5	177.4	-172.9	94.9	0	0	0	112.2	L207 F240	H203-L207 WeakPolarHBondContact O-CB 3.13Å; H203-L207 PolarHBondContact O-N 3.15Å; H203-F240 AromaticContact CE1-CE2 3.45Å; H203-F240 VanDerWaalsContact CE1-CE2 3.45Å; H203-F240 WeakPolarHBondContact CE1-CE2 3.34Å; H203-F240 AromaticContact CE1-CZ 3.48Å; H203-F240 VanDerWaalsContact CE1-CZ 3.48Å; H203-F240 WeakPolarHBondContact CE1-CZ 3.28Å; H203-F240 AromaticContact NE2-CZ 3.7Å
204	Q	77.6	Confident	78.9	Confident	142 Å²	142	81 Å²	81	66%	0.664	41%	0.408	S	S	*	.	H	α-helix	trans	-69.8	-37	177.9	-172.9	166.4	-17.5	0	0	112	S202 L207 L208	S202-Q204 VanDerWaalsContact C-N 3.26Å; S202-Q204 PolarHBondContact O-N 2.95Å; Q204-L207 PolarHBondContact O-N 3.4Å; Q204-L208 HydrophobicContact CG-CD1 4.48Å; Q204-L208 VanDerWaalsContact O-CG 3.3Å; Q204-L208 WeakPolarHBondContact O-CG 3.44Å; Q204-L208 PolarHBondContact O-N 3.29Å
205	E	82.8	Confident	80	Confident	102 Å²	102	76.7 Å²	76.7	48%	0.477	40%	0.397	S	S	.	.	H	α-helix	trans	-69.5	-40.9	175.1	-63.9	175.1	136.6	0	0	112	N201 S202 L207 L208 L209	N201-E205 HydrophobicContact CB-CB 4.17Å; S202-E205 WeakPolarHBondContact CB-OE2 3.4Å; S202-E205 PolarHBondContact N-OE2 3.48Å; S202-E205 PolarHBondContact O-N 2.95Å; S202-E205 VanDerWaalsContact O-N 3.15Å; E205-L207 VanDerWaalsContact C-N 3.32Å; E205-L207 PolarHBondContact O-N 2.81Å; E205-L208 PolarHBondContact O-N 2.84Å; E205-L209 VanDerWaalsContact O-CB 3.28Å; E205-L209 WeakPolarHBondContact O-CB 3.35Å; E205-L209 PolarHBondContact O-N 3.14Å
206	K	84.1	Confident	81.1	Confident	48 Å²	48	72.4 Å²	72.4	21%	0.209	38%	0.376	C	S	.	.	H	α-helix	trans	-56.6	-46.7	171.6	-75.6	164.8	172.5	148.4	0	110.6	A198 S199 N201 S202 L209 A210 I239	A198-K206 WeakPolarHBondContact O-CE 3.48Å; S199-K206 PolarHBondContact O-NZ 3.13Å; N201-K206 HydrophobicContact CB-CG 3.9Å; N201-K206 WeakPolarHBondContact O-CD 3.23Å; N201-K206 WeakPolarHBondContact O-CE 3.36Å; N201-K206 PolarHBondContact O-NZ 3.27Å; S202-K206 WeakPolarHBondContact O-CB 3.19Å; S202-K206 WeakPolarHBondContact O-CG 3.19Å; S202-K206 PolarHBondContact O-N 2.84Å; K206-L209 PolarHBondContact O-N 3.14Å; K206-A210 WeakPolarHBondContact O-CB 3.31Å; K206-A210 PolarHBondContact O-N 2.86Å; K206-I239 HydrophobicContact CB-CG2 4.43Å; K206-I239 WeakPolarHBondContact O-CG2 3.33Å
207	L	87.8	Confident	82.1	Confident	64 Å²	64	70.4 Å²	70.4	34%	0.335	36%	0.364	S	S	.	.	H	α-helix	trans	-64.1	-43.4	176.5	-178.9	60.6	0	0	0	112.5	H203 Q204 E205 N211 F240 T242	H203-L207 WeakPolarHBondContact O-CB 3.13Å; H203-L207 PolarHBondContact O-N 3.15Å; Q204-L207 PolarHBondContact O-N 3.4Å; E205-L207 VanDerWaalsContact C-N 3.32Å; E205-L207 PolarHBondContact O-N 2.81Å; L207-N211 WeakPolarHBondContact CD1-ND2 3.47Å; L207-N211 WeakPolarHBondContact O-CB 3.35Å; L207-N211 PolarHBondContact O-N 2.96Å; L207-N211 PolarHBondContact O-ND2 2.98Å; L207-F240 HydrophobicContact CB-CD1 4.48Å; L207-F240 HydrophobicContact CD1-CD1 3.78Å; L207-F240 HydrophobicContact CD1-CE1 4Å; L207-T242 HydrophobicContact CD1-CG2 4.22Å
208	L	87.5	Confident	83.5	Confident	114 Å²	114	65.7 Å²	65.7	60%	0.597	34%	0.339	S	S	*	.	H	α-helix	trans	-64.3	-43.8	176.8	-73.8	169.8	0	0	0	112.1	Q204 E205 N211 R212	Q204-L208 HydrophobicContact CG-CD1 4.48Å; Q204-L208 VanDerWaalsContact O-CG 3.3Å; Q204-L208 WeakPolarHBondContact O-CG 3.44Å; Q204-L208 PolarHBondContact O-N 3.29Å; E205-L208 PolarHBondContact O-N 2.84Å; L208-N211 PolarHBondContact O-N 3.36Å; L208-R212 PolarHBondContact O-N 3.49Å
209	L	87.8	Confident	84.9	Confident	49 Å²	49	70.9 Å²	70.9	26%	0.257	36%	0.361	S	S	.	.	H	α-helix	trans	-69.3	-42.6	179.4	-172.2	67.5	0	0	0	111.7	E205 K206 N211 R212 E213 I239	E205-L209 VanDerWaalsContact O-CB 3.28Å; E205-L209 WeakPolarHBondContact O-CB 3.35Å; E205-L209 PolarHBondContact O-N 3.14Å; K206-L209 PolarHBondContact O-N 3.14Å; L209-N211 VanDerWaalsContact C-N 3.32Å; L209-N211 PolarHBondContact O-N 3.19Å; L209-R212 WeakPolarHBondContact O-CB 3.38Å; L209-R212 PolarHBondContact O-N 3.46Å; L209-E213 PolarHBondContact O-N 2.97Å; L209-I239 HydrophobicContact CB-CG2 4.26Å; L209-I239 HydrophobicContact CD2-CD1 4Å; L209-I239 HydrophobicContact CD2-CG2 4.19Å; L209-I239 HydrophobicContact CG-CD1 4.03Å; L209-I239 HydrophobicContact CG-CG2 4.41Å
210	A	89.4	Confident	86.3	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-61.1	-41.1	173.4	0	0	0	0	0	111.5	K206 E213 K214 S236 I239 F240	K206-A210 WeakPolarHBondContact O-CB 3.31Å; K206-A210 PolarHBondContact O-N 2.86Å; A210-E213 PolarHBondContact O-N 3Å; A210-K214 WeakPolarHBondContact O-CB 3.49Å; A210-K214 PolarHBondContact O-N 3.26Å; A210-S236 WeakPolarHBondContact CB-O 3.44Å; A210-S236 WeakPolarHBondContact O-CB 3.36Å; A210-S236 PolarHBondContact O-OG 2.7Å; A210-I239 HydrophobicContact CB-CB 4.2Å; A210-I239 HydrophobicContact CB-CG2 4.08Å; A210-F240 HydrophobicContact CB-CB 3.68Å
211	N	91.9	Very high	88.2	Confident	50 Å²	50	65 Å²	65	27%	0.267	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-45.3	173.4	-83.5	-56.5	0	0	0	111.8	L207 L208 L209 E213 K214 D215	L207-N211 WeakPolarHBondContact CD1-ND2 3.47Å; L207-N211 WeakPolarHBondContact O-CB 3.35Å; L207-N211 PolarHBondContact O-N 2.96Å; L207-N211 PolarHBondContact O-ND2 2.98Å; L208-N211 PolarHBondContact O-N 3.36Å; L209-N211 VanDerWaalsContact C-N 3.32Å; L209-N211 PolarHBondContact O-N 3.19Å; N211-E213 PolarHBondContact O-N 3.01Å; N211-K214 WeakPolarHBondContact O-CB 3.28Å; N211-K214 PolarHBondContact O-N 2.84Å; N211-K214 WeakPolarHBondContact OD1-CE 3.28Å; N211-D215 PolarHBondContact O-N 3.33Å
212	R	91.6	Very high	89.3	Confident	167 Å²	167	70.4 Å²	70.4	63%	0.63	33%	0.331	S	S	*	.	H	α-helix	trans	-59.3	-42	177.3	-171.6	-179	-175.4	-174.2	2.8	113	L208 L209 D215 K216	L208-R212 PolarHBondContact O-N 3.49Å; L209-R212 WeakPolarHBondContact O-CB 3.38Å; L209-R212 PolarHBondContact O-N 3.46Å; R212-D215 PolarHBondContact O-N 3.29Å; R212-K216 PolarHBondContact O-N 3.16Å
213	E	92.1	Very high	89.7	Confident	7 Å²	7	70.8 Å²	70.8	3%	0.033	34%	0.338	C	S	.	.	H	α-helix	trans	-71.8	-36.3	175.4	-62.7	-57.2	130.6	0	0	112	L209 A210 N211 D215 K216 G217 R235 I239	L209-E213 PolarHBondContact O-N 2.97Å; A210-E213 PolarHBondContact O-N 3Å; N211-E213 PolarHBondContact O-N 3.01Å; E213-D215 VanDerWaalsContact C-N 3.25Å; E213-D215 PolarHBondContact O-N 3.48Å; E213-K216 PolarHBondContact O-N 3.38Å; E213-K216 IonicContact OE1-NZ 3.22Å; E213-K216 PolarHBondContact OE1-NZ 3.33Å; E213-K216 IonicContact OE2-NZ 3.35Å; E213-K216 PolarHBondContact OE2-NZ 2.92Å; E213-G217 PolarHBondContact O-N 3.29Å; E213-G217 VanDerWaalsContact O-N 3.09Å; E213-R235 VanDerWaalsContact CD-NH1 3.26Å; E213-R235 HydrophobicContact CG-CG 4.35Å; E213-R235 IonicContact OE1-NH1 2.74Å; E213-R235 PolarHBondContact OE1-NH1 2.73Å; E213-R235 WeakPolarHBondContact OE2-CD 3.32Å; E213-R235 IonicContact OE2-CZ 3.72Å; E213-R235 IonicContact OE2-NE 2.91Å; E213-R235 IonicContact OE2-NH1 3.15Å; E213-R235 PolarHBondContact OE2-NH1 3.47Å; E213-I239 HydrophobicContact CG-CD1 4.07Å
214	K	95.4	Very high	90.5	Very high	21 Å²	21	69.9 Å²	69.9	9%	0.091	34%	0.338	C	S	.	.	H	α-helix	trans	-56.1	-41.1	169.2	163.2	-168	59.4	63	0	111.2	A210 N211 G217 N218 Y233 N244	A210-K214 WeakPolarHBondContact O-CB 3.49Å; A210-K214 PolarHBondContact O-N 3.26Å; N211-K214 WeakPolarHBondContact O-CB 3.28Å; N211-K214 PolarHBondContact O-N 2.84Å; N211-K214 WeakPolarHBondContact OD1-CE 3.28Å; K214-G217 CarbonylContact O-C 3.58Å; K214-G217 WeakPolarHBondContact O-CA 3.33Å; K214-G217 PolarHBondContact O-N 2.98Å; K214-G217 VanDerWaalsContact O-N 3.08Å; K214-N218 PolarHBondContact O-N 3.31Å; K214-N218 PolarHBondContact O-ND2 2.85Å; K214-Y233 HydrophobicContact CG-CD1 4.47Å; K214-Y233 HydrophobicContact CG-CE1 4.35Å; K214-Y233 WeakPolarHBondContact O-CE1 3.27Å; K214-N244 HydrophobicContact CD-CB 4.26Å
215	D	94.4	Very high	91.1	Very high	74 Å²	74	66.5 Å²	66.5	40%	0.396	32%	0.324	S	S	.	.	H	α-helix	trans	-75.5	-25.8	-175.6	-68.9	-41.2	0	0	0	113.7	N211 R212 E213 N218 E219	N211-D215 PolarHBondContact O-N 3.33Å; R212-D215 PolarHBondContact O-N 3.29Å; E213-D215 VanDerWaalsContact C-N 3.25Å; E213-D215 PolarHBondContact O-N 3.48Å; D215-N218 WeakPolarHBondContact O-CB 3.35Å; D215-N218 PolarHBondContact O-N 2.85Å; D215-N218 PolarHBondContact OD1-ND2 3.41Å; D215-E219 PolarHBondContact O-N 3.24Å
216	K	91.9	Very high	91.6	Very high	63 Å²	63	63.6 Å²	63.6	27%	0.274	31%	0.309	S	S	.	.	H	α-helix	trans	-64.2	-41.8	161.2	-63.8	173.4	-174.2	172.9	0	111.8	R212 E213 N218 E219 A220 Y232	R212-K216 PolarHBondContact O-N 3.16Å; E213-K216 PolarHBondContact O-N 3.38Å; E213-K216 IonicContact OE1-NZ 3.22Å; E213-K216 PolarHBondContact OE1-NZ 3.33Å; E213-K216 IonicContact OE2-NZ 3.35Å; E213-K216 PolarHBondContact OE2-NZ 2.92Å; K216-N218 VanDerWaalsContact C-N 3.28Å; K216-N218 PolarHBondContact O-N 3.41Å; K216-E219 WeakPolarHBondContact O-CA 3.29Å; K216-E219 WeakPolarHBondContact O-CB 3.37Å; K216-E219 PolarHBondContact O-N 3.26Å; K216-A220 PolarHBondContact O-N 3.23Å; K216-Y232 HydrophobicContact CB-CD1 3.95Å; K216-Y232 HydrophobicContact CB-CD2 3.88Å; K216-Y232 HydrophobicContact CB-CE1 4.23Å; K216-Y232 HydrophobicContact CB-CE2 4.12Å; K216-Y232 HydrophobicContact CB-CG 3.81Å; K216-Y232 HydrophobicContact CD-CD1 4.06Å; K216-Y232 HydrophobicContact CD-CE1 3.89Å
217	G	94.6	Very high	92	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-58.3	-39.7	171.4	0	0	0	0	0	112.6	E213 K214 E219 F221 A229 Y233	E213-G217 PolarHBondContact O-N 3.29Å; E213-G217 VanDerWaalsContact O-N 3.09Å; K214-G217 CarbonylContact O-C 3.58Å; K214-G217 WeakPolarHBondContact O-CA 3.33Å; K214-G217 PolarHBondContact O-N 2.98Å; K214-G217 VanDerWaalsContact O-N 3.08Å; G217-E219 VanDerWaalsContact C-N 3.28Å; G217-E219 PolarHBondContact O-N 2.72Å; G217-F221 WeakPolarHBondContact O-CB 3.22Å; G217-F221 PolarHBondContact O-N 2.93Å; G217-A229 WeakPolarHBondContact O-CB 2.89Å; G217-Y233 PolarHBondContact O-OH 3.23Å; G217-Y233 VanDerWaalsContact O-OH 3.06Å
218	N	94.7	Very high	92.1	Very high	36 Å²	36	66.3 Å²	66.3	19%	0.193	32%	0.321	C	S	.	.	H	α-helix	trans	-69	-23.5	174.4	-66.5	-30.9	0	0	0	112.8	K214 D215 K216 R222 Y233 N248	K214-N218 PolarHBondContact O-N 3.31Å; K214-N218 PolarHBondContact O-ND2 2.85Å; D215-N218 WeakPolarHBondContact O-CB 3.35Å; D215-N218 PolarHBondContact O-N 2.85Å; D215-N218 PolarHBondContact OD1-ND2 3.41Å; K216-N218 VanDerWaalsContact C-N 3.28Å; K216-N218 PolarHBondContact O-N 3.41Å; N218-R222 VanDerWaalsContact O-CG 3.26Å; N218-R222 WeakPolarHBondContact O-CG 3.43Å; N218-R222 PolarHBondContact O-N 3.11Å; N218-R222 PolarHBondContact O-NE 3.23Å; N218-Y233 WeakPolarHBondContact CA-OH 3.41Å; N218-Y233 PolarHBondContact N-OH 2.99Å; N218-Y233 PolarHBondContact OD1-OH 3.37Å; N218-N248 PolarHBondContact OD1-ND2 3.36Å
219	E	93.7	Very high	92.4	Very high	120 Å²	120	60.9 Å²	60.9	56%	0.561	29%	0.292	S	S	*	.	H	α-helix	trans	-79.2	-52	173.7	-172.5	152.4	-115.8	0	0	111.9	D215 K216 G217 F221 R222 A223	D215-E219 PolarHBondContact O-N 3.24Å; K216-E219 WeakPolarHBondContact O-CA 3.29Å; K216-E219 WeakPolarHBondContact O-CB 3.37Å; K216-E219 PolarHBondContact O-N 3.26Å; G217-E219 VanDerWaalsContact C-N 3.28Å; G217-E219 PolarHBondContact O-N 2.72Å; E219-F221 VanDerWaalsContact C-N 3.28Å; E219-F221 PolarHBondContact O-N 3.31Å; E219-R222 WeakPolarHBondContact O-CA 3.3Å; E219-R222 WeakPolarHBondContact O-CB 3.45Å; E219-R222 PolarHBondContact O-N 2.64Å; E219-R222 IonicContact OE1-NH2 3.43Å; E219-A223 PolarHBondContact O-N 3.02Å
220	A	92.6	Very high	92.8	Very high	6 Å²	6	59.7 Å²	59.7	5%	0.05	29%	0.287	C	S	.	.	H	α-helix	trans	-55.8	-42.3	172.7	0	0	0	0	0	112	K216 R222 A223 N224 D225 E228 A229 Y232	K216-A220 PolarHBondContact O-N 3.23Å; A220-R222 VanDerWaalsContact C-N 3.3Å; A220-R222 PolarHBondContact O-N 2.94Å; A220-A223 CarbonylContact O-C 3.59Å; A220-A223 WeakPolarHBondContact O-CA 3.31Å; A220-A223 WeakPolarHBondContact O-CB 3.24Å; A220-A223 PolarHBondContact O-N 3.44Å; A220-N224 PolarHBondContact O-N 3.29Å; A220-N224 VanDerWaalsContact O-N 3.13Å; A220-D225 CarbonylContact C-O 3.43Å; A220-D225 PolarHBondContact O-N 3.07Å; A220-E228 HydrophobicContact CB-CB 4.1Å; A220-A229 HydrophobicContact CB-CB 3.96Å; A220-Y232 HydrophobicContact CB-CD2 4.41Å
221	F	94.9	Very high	93	Very high	50 Å²	50	60.1 Å²	60.1	22%	0.219	29%	0.291	C	S	.	.	H	α-helix	trans	-62.7	-33.7	175.3	-172.3	-84.2	0	0	0	112.9	G217 E219 N224 Y226 A229 Q251 A252 R255	G217-F221 WeakPolarHBondContact O-CB 3.22Å; G217-F221 PolarHBondContact O-N 2.93Å; E219-F221 VanDerWaalsContact C-N 3.28Å; E219-F221 PolarHBondContact O-N 3.31Å; F221-N224 PolarHBondContact O-N 3.07Å; F221-Y226 AromaticContact CD2-CD1 3.62Å; F221-Y226 HydrophobicContact CD2-CD1 3.62Å; F221-Y226 AromaticContact CD2-CE1 3.72Å; F221-Y226 HydrophobicContact CD2-CE1 3.72Å; F221-Y226 HydrophobicContact CE1-CE1 4.49Å; F221-Y226 AromaticContact CE2-CD1 3.7Å; F221-Y226 HydrophobicContact CE2-CD1 3.7Å; F221-Y226 AromaticContact CE2-CE1 3.55Å; F221-Y226 HydrophobicContact CE2-CE1 3.55Å; F221-Y226 HydrophobicContact CG-CD1 4.42Å; F221-Y226 HydrophobicContact CG-CE1 4.27Å; F221-Y226 AromaticContact CZ-CE1 3.96Å; F221-Y226 HydrophobicContact CZ-CE1 3.96Å; F221-A229 HydrophobicContact CB-CB 4.07Å; F221-Q251 HydrophobicContact CE2-CB 4.38Å; F221-Q251 HydrophobicContact CE2-CG 3.87Å; F221-Q251 HydrophobicContact CZ-CG 3.67Å; F221-A252 HydrophobicContact CD2-CB 3.98Å; F221-A252 HydrophobicContact CE2-CB 4.2Å; F221-R255 HydrophobicContact CE2-CG 4.28Å; F221-R255 HydrophobicContact CZ-CG 4.49Å
222	R	94	Very high	93.1	Very high	174 Å²	174	59.6 Å²	59.6	66%	0.657	29%	0.285	S	S	*	.	H	α-helix	trans	-73.2	-29.1	173.2	-77.6	177.2	-66.9	149.1	5.5	112.3	N218 E219 A220 N224	N218-R222 VanDerWaalsContact O-CG 3.26Å; N218-R222 WeakPolarHBondContact O-CG 3.43Å; N218-R222 PolarHBondContact O-N 3.11Å; N218-R222 PolarHBondContact O-NE 3.23Å; E219-R222 WeakPolarHBondContact O-CA 3.3Å; E219-R222 WeakPolarHBondContact O-CB 3.45Å; E219-R222 PolarHBondContact O-N 2.64Å; E219-R222 IonicContact OE1-NH2 3.43Å; A220-R222 VanDerWaalsContact C-N 3.3Å; A220-R222 PolarHBondContact O-N 2.94Å; R222-N224 PolarHBondContact O-N 3.38Å
223	A	90.9	Very high	93.3	Very high	75 Å²	75	51.7 Å²	51.7	62%	0.62	26%	0.255	S	S	*	.	H	α-helix	trans	-73.9	-9.8	170.9	0	0	0	0	0	113.5	E219 A220 D225	E219-A223 PolarHBondContact O-N 3.02Å; A220-A223 CarbonylContact O-C 3.59Å; A220-A223 WeakPolarHBondContact O-CA 3.31Å; A220-A223 WeakPolarHBondContact O-CB 3.24Å; A220-A223 PolarHBondContact O-N 3.44Å; A223-D225 VanDerWaalsContact C-N 3.29Å
224	N	90.3	Very high	93.4	Very high	105 Å²	105	52.2 Å²	52.2	56%	0.561	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	12.4	-168.6	-51.4	-93.1	0	0	0	114.9	A220 F221 R222 Y226	A220-N224 PolarHBondContact O-N 3.29Å; A220-N224 VanDerWaalsContact O-N 3.13Å; F221-N224 PolarHBondContact O-N 3.07Å; R222-N224 PolarHBondContact O-N 3.38Å; N224-Y226 HydrophobicContact CB-CE2 4.03Å; N224-Y226 VanDerWaalsContact O-CD2 3.24Å; N224-Y226 WeakPolarHBondContact O-CD2 3.2Å; N224-Y226 WeakPolarHBondContact O-CE2 3.21Å; N224-Y226 PolarHBondContact O-N 3.08Å; N224-Y226 VanDerWaalsContact O-N 3.12Å; N224-Y226 PolarHBondContact OD1-OH 2.98Å
225	D	91.5	Very high	93.3	Very high	72 Å²	72	54.2 Å²	54.2	39%	0.385	27%	0.267	S	S	.	.			trans	-81.5	91.1	165.9	-162.8	-39.5	0	0	0	109.3	A220 A223 E227 E228 A229	A220-D225 CarbonylContact C-O 3.43Å; A220-D225 PolarHBondContact O-N 3.07Å; A223-D225 VanDerWaalsContact C-N 3.29Å; D225-E227 VanDerWaalsContact C-N 3.33Å; D225-E227 PolarHBondContact OD1-N 2.6Å; D225-E228 HydrophobicContact CB-CB 4.19Å; D225-E228 WeakPolarHBondContact OD1-CB 3.46Å; D225-E228 PolarHBondContact OD1-N 2.85Å; D225-A229 VanDerWaalsContact O-CB 3.24Å; D225-A229 WeakPolarHBondContact O-CB 3.36Å; D225-A229 PolarHBondContact O-N 3.35Å
226	Y	93.4	Very high	93.2	Very high	41 Å²	41	50.7 Å²	50.7	16%	0.161	25%	0.248	C	C	.	.	H	α-helix	trans	-75.9	-21.1	-179.7	-56.7	-65.2	0	0	0	112.7	F221 N224 V230 R255	F221-Y226 AromaticContact CD2-CD1 3.62Å; F221-Y226 HydrophobicContact CD2-CD1 3.62Å; F221-Y226 AromaticContact CD2-CE1 3.72Å; F221-Y226 HydrophobicContact CD2-CE1 3.72Å; F221-Y226 HydrophobicContact CE1-CE1 4.49Å; F221-Y226 AromaticContact CE2-CD1 3.7Å; F221-Y226 HydrophobicContact CE2-CD1 3.7Å; F221-Y226 AromaticContact CE2-CE1 3.55Å; F221-Y226 HydrophobicContact CE2-CE1 3.55Å; F221-Y226 HydrophobicContact CG-CD1 4.42Å; F221-Y226 HydrophobicContact CG-CE1 4.27Å; F221-Y226 AromaticContact CZ-CE1 3.96Å; F221-Y226 HydrophobicContact CZ-CE1 3.96Å; N224-Y226 HydrophobicContact CB-CE2 4.03Å; N224-Y226 VanDerWaalsContact O-CD2 3.24Å; N224-Y226 WeakPolarHBondContact O-CD2 3.2Å; N224-Y226 WeakPolarHBondContact O-CE2 3.21Å; N224-Y226 PolarHBondContact O-N 3.08Å; N224-Y226 VanDerWaalsContact O-N 3.12Å; N224-Y226 PolarHBondContact OD1-OH 2.98Å; Y226-V230 VanDerWaalsContact O-CG2 3.3Å; Y226-V230 WeakPolarHBondContact O-CG2 3.44Å; Y226-V230 PolarHBondContact O-N 3.22Å; Y226-V230 VanDerWaalsContact O-N 3.09Å; Y226-R255 HydrophobicContact CD1-CB 3.64Å; Y226-R255 HydrophobicContact CD1-CG 3.88Å; Y226-R255 HydrophobicContact CD2-CB 3.79Å; Y226-R255 HydrophobicContact CE1-CB 3.78Å; Y226-R255 HydrophobicContact CE1-CG 3.57Å; Y226-R255 HydrophobicContact CE2-CB 3.94Å; Y226-R255 HydrophobicContact CE2-CG 4.3Å; Y226-R255 HydrophobicContact CG-CB 3.64Å; Y226-R255 HydrophobicContact CG-CG 4.37Å
227	E	91.8	Very high	93.3	Very high	104 Å²	104	48.4 Å²	48.4	49%	0.486	24%	0.238	S	C	.	.	H	α-helix	trans	-79.2	-46	179.3	-63.4	-166	174.7	0	0	111.1	H189 D225 A229 V230 A231 L256	H189-E227 IonicContact CE1-OE2 3.93Å; H189-E227 PolarHBondContact CE1-OE2 2.45Å; H189-E227 IonicContact ND1-OE2 2.65Å; D225-E227 VanDerWaalsContact C-N 3.33Å; D225-E227 PolarHBondContact OD1-N 2.6Å; E227-A229 VanDerWaalsContact C-N 3.3Å; E227-A229 PolarHBondContact O-N 2.85Å; E227-V230 PolarHBondContact O-N 3.09Å; E227-A231 PolarHBondContact O-N 2.89Å; E227-L256 HydrophobicContact CG-CD1 4.08Å; E227-L256 HydrophobicContact CG-CD2 3.82Å
228	E	90.7	Very high	93.1	Very high	64 Å²	64	50.8 Å²	50.8	30%	0.299	26%	0.255	S	S	.	.	H	α-helix	trans	-62.6	-40.4	172.7	-151.2	-162.2	-179.8	0	0	110.5	I192 A220 D225 V230 A231 Y232	I192-E228 HydrophobicContact CD1-CG 3.32Å; I192-E228 WeakPolarHBondContact CD1-OE1 3.5Å; A220-E228 HydrophobicContact CB-CB 4.1Å; D225-E228 HydrophobicContact CB-CB 4.19Å; D225-E228 WeakPolarHBondContact OD1-CB 3.46Å; D225-E228 PolarHBondContact OD1-N 2.85Å; E228-V230 PolarHBondContact O-N 3.25Å; E228-A231 WeakPolarHBondContact O-CB 3.49Å; E228-A231 PolarHBondContact O-N 3.32Å; E228-A231 VanDerWaalsContact O-N 3.15Å; E228-Y232 HydrophobicContact CG-CD2 4.12Å; E228-Y232 HydrophobicContact CG-CE2 3.59Å; E228-Y232 VanDerWaalsContact O-CD2 3.31Å; E228-Y232 WeakPolarHBondContact O-CD2 3.2Å; E228-Y232 PolarHBondContact O-N 3.34Å; E228-Y232 WeakPolarHBondContact OE1-CE2 3.48Å; E228-Y232 PolarHBondContact OE1-OH 2.91Å
229	A	93.6	Very high	92.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.6	-46.7	173.6	0	0	0	0	0	112.4	G217 A220 F221 D225 E227 A231 Y232 Y233 A252	G217-A229 WeakPolarHBondContact O-CB 2.89Å; A220-A229 HydrophobicContact CB-CB 3.96Å; F221-A229 HydrophobicContact CB-CB 4.07Å; D225-A229 VanDerWaalsContact O-CB 3.24Å; D225-A229 WeakPolarHBondContact O-CB 3.36Å; D225-A229 PolarHBondContact O-N 3.35Å; E227-A229 VanDerWaalsContact C-N 3.3Å; E227-A229 PolarHBondContact O-N 2.85Å; A229-A231 VanDerWaalsContact C-N 3.28Å; A229-A231 PolarHBondContact O-N 3.19Å; A229-Y232 PolarHBondContact O-N 3.31Å; A229-Y233 HydrophobicContact CB-CD2 4.32Å; A229-Y233 HydrophobicContact CB-CE2 3.82Å; A229-Y233 WeakPolarHBondContact O-CD2 3.29Å; A229-Y233 VanDerWaalsContact O-CG 3.3Å; A229-Y233 PolarHBondContact O-N 3.04Å; A229-A252 HydrophobicContact CB-CB 4.42Å
230	V	95.1	Very high	92.5	Very high	24 Å²	24	46.5 Å²	46.5	15%	0.145	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-34	176	167.4	0	0	0	0	112	Y226 E227 E228 S234 R249 A252 Q253 L256	Y226-V230 VanDerWaalsContact O-CG2 3.3Å; Y226-V230 WeakPolarHBondContact O-CG2 3.44Å; Y226-V230 PolarHBondContact O-N 3.22Å; Y226-V230 VanDerWaalsContact O-N 3.09Å; E227-V230 PolarHBondContact O-N 3.09Å; E228-V230 PolarHBondContact O-N 3.25Å; V230-S234 WeakPolarHBondContact O-CB 3.41Å; V230-S234 PolarHBondContact O-N 2.98Å; V230-S234 PolarHBondContact O-OG 3.41Å; V230-R249 HydrophobicContact CG1-CG 4.37Å; V230-R249 HydrophobicContact CG2-CG 4.37Å; V230-A252 HydrophobicContact CG2-CB 3.6Å; V230-Q253 HydrophobicContact CG2-CG 3.96Å; V230-L256 HydrophobicContact CG2-CD1 4.13Å
231	A	93.1	Very high	92.4	Very high	9 Å²	9	49.7 Å²	49.7	7%	0.074	25%	0.254	C	S	.	.	H	α-helix	trans	-64.9	-49.9	174.2	0	0	0	0	0	111.7	I192 R194 E227 E228 A229 S234 R235	I192-A231 HydrophobicContact CB-CB 4.28Å; I192-A231 HydrophobicContact CG2-CB 4.05Å; R194-A231 HydrophobicContact CG-CB 4.44Å; E227-A231 PolarHBondContact O-N 2.89Å; E228-A231 WeakPolarHBondContact O-CB 3.49Å; E228-A231 PolarHBondContact O-N 3.32Å; E228-A231 VanDerWaalsContact O-N 3.15Å; A229-A231 VanDerWaalsContact C-N 3.28Å; A229-A231 PolarHBondContact O-N 3.19Å; A231-S234 PolarHBondContact O-N 3.08Å; A231-R235 PolarHBondContact O-N 3.22Å
232	Y	94.6	Very high	92.2	Very high	39 Å²	39	48.2 Å²	48.2	15%	0.153	25%	0.249	C	C	.	.	H	α-helix	trans	-65.1	-40.6	177.9	-72.4	-54.5	0	0	0	113.5	I192 K216 A220 E228 A229 S234 R235 S236	I192-Y232 HydrophobicContact CD1-CE1 4.37Å; I192-Y232 HydrophobicContact CD1-CE2 4.28Å; I192-Y232 HydrophobicContact CG2-CD1 4.31Å; I192-Y232 HydrophobicContact CG2-CE1 4.06Å; K216-Y232 HydrophobicContact CB-CD1 3.95Å; K216-Y232 HydrophobicContact CB-CD2 3.88Å; K216-Y232 HydrophobicContact CB-CE1 4.23Å; K216-Y232 HydrophobicContact CB-CE2 4.12Å; K216-Y232 HydrophobicContact CB-CG 3.81Å; K216-Y232 HydrophobicContact CD-CD1 4.06Å; K216-Y232 HydrophobicContact CD-CE1 3.89Å; A220-Y232 HydrophobicContact CB-CD2 4.41Å; E228-Y232 HydrophobicContact CG-CD2 4.12Å; E228-Y232 HydrophobicContact CG-CE2 3.59Å; E228-Y232 VanDerWaalsContact O-CD2 3.31Å; E228-Y232 WeakPolarHBondContact O-CD2 3.2Å; E228-Y232 PolarHBondContact O-N 3.34Å; E228-Y232 WeakPolarHBondContact OE1-CE2 3.48Å; E228-Y232 PolarHBondContact OE1-OH 2.91Å; A229-Y232 PolarHBondContact O-N 3.31Å; Y232-S234 VanDerWaalsContact C-N 3.32Å; Y232-S234 PolarHBondContact O-N 2.87Å; Y232-R235 PolarHBondContact O-N 3.03Å; Y232-S236 WeakPolarHBondContact O-CB 3.46Å; Y232-S236 PolarHBondContact O-N 3.01Å
233	Y	96.2	Very high	92.2	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-66.3	-33.9	174.7	-61.1	-51.6	0	0	0	112.3	K214 G217 N218 A229 S236 L237 N248 R249 A252	K214-Y233 HydrophobicContact CG-CD1 4.47Å; K214-Y233 HydrophobicContact CG-CE1 4.35Å; K214-Y233 WeakPolarHBondContact O-CE1 3.27Å; G217-Y233 PolarHBondContact O-OH 3.23Å; G217-Y233 VanDerWaalsContact O-OH 3.06Å; N218-Y233 WeakPolarHBondContact CA-OH 3.41Å; N218-Y233 PolarHBondContact N-OH 2.99Å; N218-Y233 PolarHBondContact OD1-OH 3.37Å; A229-Y233 HydrophobicContact CB-CD2 4.32Å; A229-Y233 HydrophobicContact CB-CE2 3.82Å; A229-Y233 WeakPolarHBondContact O-CD2 3.29Å; A229-Y233 VanDerWaalsContact O-CG 3.3Å; A229-Y233 PolarHBondContact O-N 3.04Å; Y233-S236 WeakPolarHBondContact O-CB 3.46Å; Y233-S236 PolarHBondContact O-N 2.63Å; Y233-L237 VanDerWaalsContact O-CG 3.31Å; Y233-L237 WeakPolarHBondContact O-CG 3.33Å; Y233-L237 PolarHBondContact O-N 2.97Å; Y233-N248 HydrophobicContact CD1-CB 4.13Å; Y233-N248 HydrophobicContact CE1-CB 3.58Å; Y233-N248 HydrophobicContact CE2-CB 4.04Å; Y233-N248 WeakPolarHBondContact CE2-O 3.43Å; Y233-R249 HydrophobicContact CD2-CB 4.16Å; Y233-R249 HydrophobicContact CD2-CG 4.42Å; Y233-R249 HydrophobicContact CG-CB 4.21Å; Y233-A252 HydrophobicContact CD2-CB 4.46Å; Y233-A252 HydrophobicContact CE2-CB 4.17Å
234	S	94	Very high	92.3	Very high	17 Å²	17	42 Å²	42	12%	0.119	22%	0.219	C	C	.	.	H	α-helix	trans	-67	-40.7	174.6	-58.1	0	0	0	0	111.6	R194 V230 A231 Y232 L237 S238 R249	R194-S234 CarbonylContact O-C 3.6Å; V230-S234 WeakPolarHBondContact O-CB 3.41Å; V230-S234 PolarHBondContact O-N 2.98Å; V230-S234 PolarHBondContact O-OG 3.41Å; A231-S234 PolarHBondContact O-N 3.08Å; Y232-S234 VanDerWaalsContact C-N 3.32Å; Y232-S234 PolarHBondContact O-N 2.87Å; S234-L237 PolarHBondContact O-N 2.86Å; S234-S238 PolarHBondContact O-N 3.22Å; S234-R249 VanDerWaalsContact OG-CD 3.31Å; S234-R249 WeakPolarHBondContact OG-CD 3.36Å; S234-R249 PolarHBondContact OG-NH1 2.67Å
235	R	92.4	Very high	92.4	Very high	64 Å²	64	37 Å²	37	24%	0.242	19%	0.192	C	C	.	.	H	α-helix	trans	-64.9	-38	174	-169.8	-175.3	-175.7	-163	7.5	112.8	R193 R194 V196 E213 A231 Y232 S238 I239	R193-R235 WeakPolarHBondContact O-CD 3.46Å; R194-R235 VanDerWaalsContact O-CA 3.22Å; R194-R235 WeakPolarHBondContact O-CA 3.28Å; R194-R235 PolarHBondContact O-N 3.14Å; V196-R235 HydrophobicContact CG2-CG 3.98Å; E213-R235 VanDerWaalsContact CD-NH1 3.26Å; E213-R235 HydrophobicContact CG-CG 4.35Å; E213-R235 IonicContact OE1-NH1 2.74Å; E213-R235 PolarHBondContact OE1-NH1 2.73Å; E213-R235 WeakPolarHBondContact OE2-CD 3.32Å; E213-R235 IonicContact OE2-CZ 3.72Å; E213-R235 IonicContact OE2-NE 2.91Å; E213-R235 IonicContact OE2-NH1 3.15Å; E213-R235 PolarHBondContact OE2-NH1 3.47Å; A231-R235 PolarHBondContact O-N 3.22Å; Y232-R235 PolarHBondContact O-N 3.03Å; R235-S238 PolarHBondContact O-N 3.1Å; R235-S238 PolarHBondContact O-OG 2.83Å; R235-I239 HydrophobicContact CG-CD1 4.35Å; R235-I239 VanDerWaalsContact O-CD1 3.29Å; R235-I239 WeakPolarHBondContact O-CD1 3.42Å; R235-I239 VanDerWaalsContact O-CG1 3.27Å; R235-I239 WeakPolarHBondContact O-CG1 3.38Å; R235-I239 PolarHBondContact O-N 2.74Å
236	S	93.9	Very high	92.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57.5	-50.4	170.8	179.7	0	0	0	0	110.7	A210 Y232 Y233 S238 I239 F240	A210-S236 WeakPolarHBondContact CB-O 3.44Å; A210-S236 WeakPolarHBondContact O-CB 3.36Å; A210-S236 PolarHBondContact O-OG 2.7Å; Y232-S236 WeakPolarHBondContact O-CB 3.46Å; Y232-S236 PolarHBondContact O-N 3.01Å; Y233-S236 WeakPolarHBondContact O-CB 3.46Å; Y233-S236 PolarHBondContact O-N 2.63Å; S236-S238 PolarHBondContact O-N 3.24Å; S236-I239 PolarHBondContact O-N 2.7Å; S236-F240 PolarHBondContact O-N 3.18Å
237	L	92.4	Very high	92.8	Very high	14 Å²	14	33.3 Å²	33.3	7%	0.073	17%	0.173	C	C	.	.	H	α-helix	trans	-66.5	-32.1	-179.7	-71	169.7	0	0	0	113.7	Y233 S234 I239 F240 A245 Y246 R249	Y233-L237 VanDerWaalsContact O-CG 3.31Å; Y233-L237 WeakPolarHBondContact O-CG 3.33Å; Y233-L237 PolarHBondContact O-N 2.97Å; S234-L237 PolarHBondContact O-N 2.86Å; L237-I239 VanDerWaalsContact C-N 3.26Å; L237-I239 PolarHBondContact O-N 3.48Å; L237-F240 CarbonylContact O-C 3.58Å; L237-A245 HydrophobicContact CD1-CB 4.49Å; L237-A245 HydrophobicContact CD2-CB 3.64Å; L237-A245 HydrophobicContact CG-CB 3.79Å; L237-Y246 HydrophobicContact CD1-CD1 3.74Å; L237-Y246 HydrophobicContact CD1-CD2 4.49Å; L237-Y246 HydrophobicContact CD1-CE1 3.94Å; L237-Y246 HydrophobicContact CD1-CG 4.04Å; L237-Y246 HydrophobicContact CD2-CD1 4.24Å; L237-Y246 HydrophobicContact CD2-CD2 3.5Å; L237-Y246 HydrophobicContact CD2-CE1 4.28Å; L237-Y246 HydrophobicContact CD2-CE2 3.53Å; L237-Y246 HydrophobicContact CD2-CG 3.86Å; L237-R249 VanDerWaalsContact CD1-CZ 3.47Å
238	S	91.3	Very high	93	Very high	51 Å²	51	30.2 Å²	30.2	36%	0.357	16%	0.16	S	C	.	.	H	α-helix	trans	-68.9	-25.5	175.1	73.7	0	0	0	0	113.1	E195 V196 S234 R235 S236	E195-S238 WeakPolarHBondContact CA-OG 3.35Å; V196-S238 PolarHBondContact N-OG 3.43Å; S234-S238 PolarHBondContact O-N 3.22Å; R235-S238 PolarHBondContact O-N 3.1Å; R235-S238 PolarHBondContact O-OG 2.83Å; S236-S238 PolarHBondContact O-N 3.24Å
239	I	88.1	Confident	93.3	Very high	13 Å²	13	29.3 Å²	29.3	7%	0.067	15%	0.154	C	C	.	.	H	α-helix	trans	-86.2	-46.9	178.7	-64	162.3	0	0	0	110.2	V196 A198 K206 L209 A210 E213 R235 S236 L237	V196-I239 HydrophobicContact CB-CD1 4.23Å; V196-I239 HydrophobicContact CB-CG1 4.11Å; V196-I239 HydrophobicContact CG1-CD1 4.43Å; V196-I239 HydrophobicContact CG1-CG1 4.36Å; A198-I239 HydrophobicContact CB-CG1 4.4Å; A198-I239 HydrophobicContact CB-CG2 4.03Å; K206-I239 HydrophobicContact CB-CG2 4.43Å; K206-I239 WeakPolarHBondContact O-CG2 3.33Å; L209-I239 HydrophobicContact CB-CG2 4.26Å; L209-I239 HydrophobicContact CD2-CD1 4Å; L209-I239 HydrophobicContact CD2-CG2 4.19Å; L209-I239 HydrophobicContact CG-CD1 4.03Å; L209-I239 HydrophobicContact CG-CG2 4.41Å; A210-I239 HydrophobicContact CB-CB 4.2Å; A210-I239 HydrophobicContact CB-CG2 4.08Å; E213-I239 HydrophobicContact CG-CD1 4.07Å; R235-I239 HydrophobicContact CG-CD1 4.35Å; R235-I239 VanDerWaalsContact O-CD1 3.29Å; R235-I239 WeakPolarHBondContact O-CD1 3.42Å; R235-I239 VanDerWaalsContact O-CG1 3.27Å; R235-I239 WeakPolarHBondContact O-CG1 3.38Å; R235-I239 PolarHBondContact O-N 2.74Å; S236-I239 PolarHBondContact O-N 2.7Å; L237-I239 VanDerWaalsContact C-N 3.26Å; L237-I239 PolarHBondContact O-N 3.48Å
240	F	87.5	Confident	93.4	Very high	52 Å²	52	29.3 Å²	29.3	23%	0.228	15%	0.154	C	C	.	.	S	Bend	trans	-154.8	117.1	173.4	-165.9	-114.4	0	0	0	111.1	H203 L207 A210 S236 L237 T242	H203-F240 AromaticContact CE1-CE2 3.45Å; H203-F240 VanDerWaalsContact CE1-CE2 3.45Å; H203-F240 WeakPolarHBondContact CE1-CE2 3.34Å; H203-F240 AromaticContact CE1-CZ 3.48Å; H203-F240 VanDerWaalsContact CE1-CZ 3.48Å; H203-F240 WeakPolarHBondContact CE1-CZ 3.28Å; H203-F240 AromaticContact NE2-CZ 3.7Å; L207-F240 HydrophobicContact CB-CD1 4.48Å; L207-F240 HydrophobicContact CD1-CD1 3.78Å; L207-F240 HydrophobicContact CD1-CE1 4Å; A210-F240 HydrophobicContact CB-CB 3.68Å; S236-F240 PolarHBondContact O-N 3.18Å; L237-F240 CarbonylContact O-C 3.58Å; F240-T242 HydrophobicContact CD1-CG2 3.58Å; F240-T242 HydrophobicContact CE1-CG2 4.11Å; F240-T242 PolarHBondContact O-N 2.9Å
241	P	90.5	Very high	93.5	Very high	74 Å²	74	30.4 Å²	30.4	48%	0.481	16%	0.157	S	C	.	.			trans	-60.1	121.2	175.3	-25.2	35.2	0	0	0	111.4	Y246	P241-Y246 HydrophobicContact CB-CE2 4.1Å
242	T	91.3	Very high	93.6	Very high	18 Å²	18	30 Å²	30	11%	0.11	15%	0.154	C	C	.	.			trans	-133.6	140.2	176.5	61.2	0	0	0	0	111.3	L207 F240 N244 A245 Y246	L207-T242 HydrophobicContact CD1-CG2 4.22Å; F240-T242 HydrophobicContact CD1-CG2 3.58Å; F240-T242 HydrophobicContact CE1-CG2 4.11Å; F240-T242 PolarHBondContact O-N 2.9Å; T242-N244 PolarHBondContact O-N 3.46Å; T242-A245 PolarHBondContact O-N 3.44Å; T242-A245 VanDerWaalsContact OG1-CB 3.26Å; T242-A245 WeakPolarHBondContact OG1-CB 3.36Å; T242-A245 PolarHBondContact OG1-N 2.93Å; T242-Y246 WeakPolarHBondContact O-CD2 3.4Å; T242-Y246 PolarHBondContact O-N 3.41Å; T242-Y246 VanDerWaalsContact O-N 3.1Å
243	V	93.3	Very high	93.7	Very high	21 Å²	21	28.5 Å²	28.5	13%	0.127	15%	0.148	C	C	.	.	H	α-helix	trans	-52.2	-39.5	176.5	170.5	0	0	0	0	111.9	N247 V269 L272 E273	V243-N247 VanDerWaalsContact O-CB 3.24Å; V243-N247 WeakPolarHBondContact O-CB 3.41Å; V243-N247 PolarHBondContact O-N 3.21Å; V243-N247 PolarHBondContact O-ND2 2.81Å; V243-V269 HydrophobicContact CG1-CG1 3.79Å; V243-V269 HydrophobicContact CG1-CG2 4.29Å; V243-L272 HydrophobicContact CG2-CB 3.76Å; V243-L272 HydrophobicContact CG2-CD1 3.73Å; V243-L272 HydrophobicContact CG2-CG 4.41Å; V243-E273 HydrophobicContact CG1-CG 4.48Å; V243-E273 HydrophobicContact CG2-CG 4.12Å
244	N	92.6	Very high	93.7	Very high	98 Å²	98	29.3 Å²	29.3	52%	0.524	15%	0.153	S	C	.	.	H	α-helix	trans	-66.8	-39.2	178.6	-75.2	-41.2	0	0	0	113	K214 T242 N248	K214-N244 HydrophobicContact CD-CB 4.26Å; T242-N244 PolarHBondContact O-N 3.46Å; N244-N248 WeakPolarHBondContact O-CB 3.21Å; N244-N248 PolarHBondContact O-N 2.67Å
245	A	94.2	Very high	93.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-71.2	-42	178.1	0	0	0	0	0	112	L237 T242 N248 R249	L237-A245 HydrophobicContact CD1-CB 4.49Å; L237-A245 HydrophobicContact CD2-CB 3.64Å; L237-A245 HydrophobicContact CG-CB 3.79Å; T242-A245 PolarHBondContact O-N 3.44Å; T242-A245 VanDerWaalsContact OG1-CB 3.26Å; T242-A245 WeakPolarHBondContact OG1-CB 3.36Å; T242-A245 PolarHBondContact OG1-N 2.93Å; A245-N248 PolarHBondContact O-N 3.4Å; A245-R249 VanDerWaalsContact O-CB 3.31Å; A245-R249 WeakPolarHBondContact O-CB 3.21Å; A245-R249 PolarHBondContact O-N 2.99Å
246	Y	96.1	Very high	93.8	Very high	31 Å²	31	34.8 Å²	34.8	12%	0.122	17%	0.174	C	C	.	.	H	α-helix	trans	-59.7	-46.7	171.1	-75.9	-75.2	0	0	0	111.6	L237 P241 T242 N248 R249 A250 D265 Q268	L237-Y246 HydrophobicContact CD1-CD1 3.74Å; L237-Y246 HydrophobicContact CD1-CD2 4.49Å; L237-Y246 HydrophobicContact CD1-CE1 3.94Å; L237-Y246 HydrophobicContact CD1-CG 4.04Å; L237-Y246 HydrophobicContact CD2-CD1 4.24Å; L237-Y246 HydrophobicContact CD2-CD2 3.5Å; L237-Y246 HydrophobicContact CD2-CE1 4.28Å; L237-Y246 HydrophobicContact CD2-CE2 3.53Å; L237-Y246 HydrophobicContact CD2-CG 3.86Å; P241-Y246 HydrophobicContact CB-CE2 4.1Å; T242-Y246 WeakPolarHBondContact O-CD2 3.4Å; T242-Y246 PolarHBondContact O-N 3.41Å; T242-Y246 VanDerWaalsContact O-N 3.1Å; Y246-N248 VanDerWaalsContact C-N 3.33Å; Y246-N248 PolarHBondContact O-N 3.28Å; Y246-R249 PolarHBondContact O-N 2.94Å; Y246-A250 WeakPolarHBondContact O-CB 3.5Å; Y246-A250 PolarHBondContact O-N 3.3Å; Y246-D265 HydrophobicContact CD1-CB 4.4Å; Y246-Q268 HydrophobicContact CD1-CB 3.94Å; Y246-Q268 HydrophobicContact CD1-CG 4.47Å; Y246-Q268 HydrophobicContact CE1-CB 3.82Å; Y246-Q268 HydrophobicContact CE1-CG 3.98Å; Y246-Q268 HydrophobicContact CE2-CB 4.48Å; Y246-Q268 HydrophobicContact CG-CB 4.31Å
247	N	95.9	Very high	93.8	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-55.8	-45.3	177.4	-105.7	-60.1	0	0	0	112.6	V243 Q251 V269 N276 R282	V243-N247 VanDerWaalsContact O-CB 3.24Å; V243-N247 WeakPolarHBondContact O-CB 3.41Å; V243-N247 PolarHBondContact O-N 3.21Å; V243-N247 PolarHBondContact O-ND2 2.81Å; N247-Q251 PolarHBondContact O-N 2.64Å; N247-V269 HydrophobicContact CB-CG2 4.44Å; N247-N276 PolarHBondContact ND2-ND2 3.03Å; N247-R282 VanDerWaalsContact CB-NH1 3.3Å; N247-R282 VanDerWaalsContact O-CZ 3.27Å; N247-R282 PolarHBondContact O-NH1 2.82Å; N247-R282 PolarHBondContact OD1-NH1 2.81Å
248	N	95.8	Very high	93.9	Very high	40 Å²	40	44.9 Å²	44.9	21%	0.214	22%	0.22	C	C	.	.	H	α-helix	trans	-77.7	-30.9	-178.1	-68.9	5.2	0	0	0	111.9	N218 Y233 N244 A245 Y246 Q251 A252	N218-N248 PolarHBondContact OD1-ND2 3.36Å; Y233-N248 HydrophobicContact CD1-CB 4.13Å; Y233-N248 HydrophobicContact CE1-CB 3.58Å; Y233-N248 HydrophobicContact CE2-CB 4.04Å; Y233-N248 WeakPolarHBondContact CE2-O 3.43Å; N244-N248 WeakPolarHBondContact O-CB 3.21Å; N244-N248 PolarHBondContact O-N 2.67Å; A245-N248 PolarHBondContact O-N 3.4Å; Y246-N248 VanDerWaalsContact C-N 3.33Å; Y246-N248 PolarHBondContact O-N 3.28Å; N248-Q251 WeakPolarHBondContact O-CB 3.32Å; N248-Q251 PolarHBondContact O-N 3.48Å; N248-A252 PolarHBondContact O-N 3.07Å; N248-A252 VanDerWaalsContact O-N 3.07Å
249	R	96.6	Very high	94.1	Very high	45 Å²	45	44.7 Å²	44.7	17%	0.17	21%	0.212	C	C	.	.	H	α-helix	trans	-66.3	-45.6	171.9	-160	173.1	68.6	178.9	-6.6	112.2	V230 Y233 S234 L237 A245 Y246 Q251 A252 Q253 D265	V230-R249 HydrophobicContact CG1-CG 4.37Å; V230-R249 HydrophobicContact CG2-CG 4.37Å; Y233-R249 HydrophobicContact CD2-CB 4.16Å; Y233-R249 HydrophobicContact CD2-CG 4.42Å; Y233-R249 HydrophobicContact CG-CB 4.21Å; S234-R249 VanDerWaalsContact OG-CD 3.31Å; S234-R249 WeakPolarHBondContact OG-CD 3.36Å; S234-R249 PolarHBondContact OG-NH1 2.67Å; L237-R249 VanDerWaalsContact CD1-CZ 3.47Å; A245-R249 VanDerWaalsContact O-CB 3.31Å; A245-R249 WeakPolarHBondContact O-CB 3.21Å; A245-R249 PolarHBondContact O-N 2.99Å; Y246-R249 PolarHBondContact O-N 2.94Å; R249-Q251 PolarHBondContact O-N 3.03Å; R249-A252 PolarHBondContact O-N 3.27Å; R249-A252 VanDerWaalsContact O-N 3.16Å; R249-Q253 WeakPolarHBondContact O-CG 3.36Å; R249-Q253 PolarHBondContact O-N 2.73Å; R249-D265 WeakPolarHBondContact CB-OD2 3.24Å; R249-D265 WeakPolarHBondContact CG-OD2 3.48Å; R249-D265 IonicContact CZ-OD1 2.7Å; R249-D265 IonicContact CZ-OD2 3.61Å; R249-D265 IonicContact NE-OD1 3.26Å; R249-D265 PolarHBondContact NE-OD1 3.34Å; R249-D265 IonicContact NE-OD2 3.24Å; R249-D265 PolarHBondContact NE-OD2 3.25Å; R249-D265 IonicContact NH2-OD1 3.67Å; R249-D265 PolarHBondContact NH2-OD1 3.45Å; R249-D265 IonicContact NH2-OD2 3.76Å
250	A	96.6	Very high	94.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-54.7	-41.1	171.4	0	0	0	0	0	111.4	Y246 Q253 I254 D265	Y246-A250 WeakPolarHBondContact O-CB 3.5Å; Y246-A250 PolarHBondContact O-N 3.3Å; A250-Q253 PolarHBondContact O-N 3.5Å; A250-I254 WeakPolarHBondContact O-CB 3.4Å; A250-I254 VanDerWaalsContact O-CG1 3.27Å; A250-I254 WeakPolarHBondContact O-CG1 3.49Å; A250-I254 PolarHBondContact O-N 3.5Å; A250-D265 HydrophobicContact CB-CB 3.74Å
251	Q	96.5	Very high	94.7	Very high	46 Å²	46	52.2 Å²	52.2	22%	0.215	25%	0.25	C	C	.	.	H	α-helix	trans	-65.7	-39.7	179	-170.4	60.5	80.5	0	0	113.4	F221 N247 N248 R249 R255 R282	F221-Q251 HydrophobicContact CE2-CB 4.38Å; F221-Q251 HydrophobicContact CE2-CG 3.87Å; F221-Q251 HydrophobicContact CZ-CG 3.67Å; N247-Q251 PolarHBondContact O-N 2.64Å; N248-Q251 WeakPolarHBondContact O-CB 3.32Å; N248-Q251 PolarHBondContact O-N 3.48Å; R249-Q251 PolarHBondContact O-N 3.03Å; Q251-R255 WeakPolarHBondContact O-CG 3.02Å; Q251-R255 PolarHBondContact O-N 3.31Å; Q251-R282 VanDerWaalsContact OE1-NH2 3.1Å
252	A	96.4	Very high	95	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-70.8	-39.2	175.8	0	0	0	0	0	111.6	F221 A229 V230 Y233 N248 R249 I254 R255 L256	F221-A252 HydrophobicContact CD2-CB 3.98Å; F221-A252 HydrophobicContact CE2-CB 4.2Å; A229-A252 HydrophobicContact CB-CB 4.42Å; V230-A252 HydrophobicContact CG2-CB 3.6Å; Y233-A252 HydrophobicContact CD2-CB 4.46Å; Y233-A252 HydrophobicContact CE2-CB 4.17Å; N248-A252 PolarHBondContact O-N 3.07Å; N248-A252 VanDerWaalsContact O-N 3.07Å; R249-A252 PolarHBondContact O-N 3.27Å; R249-A252 VanDerWaalsContact O-N 3.16Å; A252-I254 PolarHBondContact O-N 3.04Å; A252-R255 WeakPolarHBondContact O-CA 3.48Å; A252-R255 WeakPolarHBondContact O-CB 3.23Å; A252-R255 PolarHBondContact O-N 3.35Å; A252-R255 VanDerWaalsContact O-N 3.07Å; A252-L256 PolarHBondContact O-N 3.02Å; A252-L256 VanDerWaalsContact O-N 3.08Å
253	Q	96.4	Very high	95.2	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-64.1	-36.7	173.4	-69.9	165.8	3.4	0	0	112.7	V230 R249 A250 R255 L256 E257 H258 N261 A262 D265	V230-Q253 HydrophobicContact CG2-CG 3.96Å; R249-Q253 WeakPolarHBondContact O-CG 3.36Å; R249-Q253 PolarHBondContact O-N 2.73Å; A250-Q253 PolarHBondContact O-N 3.5Å; Q253-R255 VanDerWaalsContact C-N 3.27Å; Q253-R255 PolarHBondContact O-N 2.69Å; Q253-L256 CarbonylContact O-C 3.57Å; Q253-L256 PolarHBondContact O-N 3.18Å; Q253-L256 VanDerWaalsContact O-N 3.14Å; Q253-E257 PolarHBondContact O-N 3.34Å; Q253-E257 VanDerWaalsContact O-N 3.12Å; Q253-H258 HydrophobicContact CB-CB 4.09Å; Q253-H258 HydrophobicContact CG-CB 4.48Å; Q253-H258 PolarHBondContact O-N 2.92Å; Q253-N261 HydrophobicContact CG-CB 4.35Å; Q253-N261 PolarHBondContact OE1-O 3.23Å; Q253-A262 HydrophobicContact CB-CB 3.98Å; Q253-D265 PolarHBondContact NE2-OD2 3.34Å; Q253-D265 PolarHBondContact OE1-OD2 2.7Å
254	I	96.3	Very high	95.3	Very high	19 Å²	19	51.7 Å²	51.7	10%	0.097	24%	0.244	C	C	.	.	H	α-helix	trans	-61.8	-34	171	-74.6	165.1	0	0	0	111.6	A250 A252 L256 E257 W259 A262 R282 T285 V286	A250-I254 WeakPolarHBondContact O-CB 3.4Å; A250-I254 VanDerWaalsContact O-CG1 3.27Å; A250-I254 WeakPolarHBondContact O-CG1 3.49Å; A250-I254 PolarHBondContact O-N 3.5Å; A252-I254 PolarHBondContact O-N 3.04Å; I254-L256 VanDerWaalsContact C-N 3.33Å; I254-E257 PolarHBondContact O-N 3.24Å; I254-W259 HydrophobicContact CG1-CZ3 4.48Å; I254-W259 HydrophobicContact CG2-CZ3 4.25Å; I254-A262 HydrophobicContact CD1-CB 4.5Å; I254-A262 HydrophobicContact CG1-CB 3.82Å; I254-R282 HydrophobicContact CD1-CB 3.89Å; I254-R282 HydrophobicContact CD1-CG 4.05Å; I254-T285 HydrophobicContact CG2-CG2 4.36Å; I254-V286 HydrophobicContact CD1-CG2 3.89Å; I254-V286 HydrophobicContact CG1-CG2 3.81Å
255	R	95.3	Very high	95.5	Very high	153 Å²	153	47.2 Å²	47.2	58%	0.577	22%	0.22	S	C	*	.	H	α-helix	trans	-73.5	-23.6	174.7	-68.7	-71.9	-166.8	-155.4	2.2	113.4	F221 Y226 Q251 A252 Q253	F221-R255 HydrophobicContact CE2-CG 4.28Å; F221-R255 HydrophobicContact CZ-CG 4.49Å; Y226-R255 HydrophobicContact CD1-CB 3.64Å; Y226-R255 HydrophobicContact CD1-CG 3.88Å; Y226-R255 HydrophobicContact CD2-CB 3.79Å; Y226-R255 HydrophobicContact CE1-CB 3.78Å; Y226-R255 HydrophobicContact CE1-CG 3.57Å; Y226-R255 HydrophobicContact CE2-CB 3.94Å; Y226-R255 HydrophobicContact CE2-CG 4.3Å; Y226-R255 HydrophobicContact CG-CB 3.64Å; Y226-R255 HydrophobicContact CG-CG 4.37Å; Q251-R255 WeakPolarHBondContact O-CG 3.02Å; Q251-R255 PolarHBondContact O-N 3.31Å; A252-R255 WeakPolarHBondContact O-CA 3.48Å; A252-R255 WeakPolarHBondContact O-CB 3.23Å; A252-R255 PolarHBondContact O-N 3.35Å; A252-R255 VanDerWaalsContact O-N 3.07Å; Q253-R255 VanDerWaalsContact C-N 3.27Å; Q253-R255 PolarHBondContact O-N 2.69Å
256	L	93.2	Very high	95.5	Very high	43 Å²	43	47.2 Å²	47.2	23%	0.225	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	8.9	174.1	-65.5	170.9	0	0	0	113.4	E227 V230 A252 Q253 I254 H258	E227-L256 HydrophobicContact CG-CD1 4.08Å; E227-L256 HydrophobicContact CG-CD2 3.82Å; V230-L256 HydrophobicContact CG2-CD1 4.13Å; A252-L256 PolarHBondContact O-N 3.02Å; A252-L256 VanDerWaalsContact O-N 3.08Å; Q253-L256 CarbonylContact O-C 3.57Å; Q253-L256 PolarHBondContact O-N 3.18Å; Q253-L256 VanDerWaalsContact O-N 3.14Å; I254-L256 VanDerWaalsContact C-N 3.33Å; L256-H258 WeakPolarHBondContact CB-ND1 3.26Å; L256-H258 PolarHBondContact O-N 2.98Å
257	E	94.5	Very high	95.5	Very high	134 Å²	134	49.4 Å²	49.4	63%	0.626	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	21.8	-174.7	-52.6	-160.8	166.9	0	0	114.9	Q253 I254 W259	Q253-E257 PolarHBondContact O-N 3.34Å; Q253-E257 VanDerWaalsContact O-N 3.12Å; I254-E257 PolarHBondContact O-N 3.24Å; E257-W259 HydrophobicContact CB-CH2 4.37Å; E257-W259 HydrophobicContact CB-CZ2 3.56Å; E257-W259 HydrophobicContact CG-CH2 4.27Å; E257-W259 HydrophobicContact CG-CZ2 3.66Å; E257-W259 PolarHBondContact O-N 2.91Å; E257-W259 PolarHBondContact O-NE1 3.4Å; E257-W259 VanDerWaalsContact O-NE1 3.14Å
258	H	94.3	Very high	95.5	Very high	93 Å²	93	52.2 Å²	52.2	43%	0.431	25%	0.247	S	C	.	.			trans	-81.4	59.8	179.4	-71.9	144	0	0	0	112.1	Q253 L256 H260 N261 A262	Q253-H258 HydrophobicContact CB-CB 4.09Å; Q253-H258 HydrophobicContact CG-CB 4.48Å; Q253-H258 PolarHBondContact O-N 2.92Å; L256-H258 WeakPolarHBondContact CB-ND1 3.26Å; L256-H258 PolarHBondContact O-N 2.98Å; H258-H260 VanDerWaalsContact C-N 3.33Å; H258-H260 PolarHBondContact O-N 3.35Å; H258-N261 PolarHBondContact O-N 2.96Å; H258-N261 VanDerWaalsContact O-N 3.16Å; H258-A262 PolarHBondContact O-N 2.93Å
259	W	95.1	Very high	95.4	Very high	46 Å²	46	50.3 Å²	50.3	17%	0.174	24%	0.237	C	C	.	.	H	α-helix	trans	-50.3	-43.3	-170.9	-50.6	118.1	0	0	0	114.9	I254 E257 A262 M263 V286 H289 M290	I254-W259 HydrophobicContact CG1-CZ3 4.48Å; I254-W259 HydrophobicContact CG2-CZ3 4.25Å; E257-W259 HydrophobicContact CB-CH2 4.37Å; E257-W259 HydrophobicContact CB-CZ2 3.56Å; E257-W259 HydrophobicContact CG-CH2 4.27Å; E257-W259 HydrophobicContact CG-CZ2 3.66Å; E257-W259 PolarHBondContact O-N 2.91Å; E257-W259 PolarHBondContact O-NE1 3.4Å; E257-W259 VanDerWaalsContact O-NE1 3.14Å; W259-A262 PolarHBondContact O-N 3.42Å; W259-M263 WeakPolarHBondContact O-CB 3.48Å; W259-M263 PolarHBondContact O-N 2.94Å; W259-V286 HydrophobicContact CB-CG1 4.09Å; W259-V286 HydrophobicContact CE3-CG1 4.46Å; W259-V286 HydrophobicContact CE3-CG2 4.37Å; W259-V286 VanDerWaalsContact O-CG1 3.29Å; W259-V286 WeakPolarHBondContact O-CG1 3.33Å; W259-H289 HydrophobicContact CD2-CB 3.75Å; W259-H289 HydrophobicContact CE3-CB 3.73Å; W259-H289 HydrophobicContact CH2-CB 3.76Å; W259-H289 AromaticContact CH2-CD2 3.44Å; W259-H289 VanDerWaalsContact CH2-CD2 3.44Å; W259-H289 WeakPolarHBondContact CH2-CD2 3.47Å; W259-H289 AromaticContact CH2-CE1 3.78Å; W259-H289 AromaticContact CH2-CG 3.3Å; W259-H289 AromaticContact CH2-ND1 3.53Å; W259-H289 AromaticContact CH2-NE2 3.77Å; W259-H289 HydrophobicContact CZ2-CB 3.75Å; W259-H289 AromaticContact CZ2-CG 3.58Å; W259-H289 AromaticContact CZ2-ND1 3.56Å; W259-H289 HydrophobicContact CZ3-CB 3.73Å; W259-H289 AromaticContact CZ3-CD2 3.54Å; W259-H289 AromaticContact CZ3-CG 3.6Å; W259-M290 HydrophobicContact CB-CG 4.29Å
260	H	95.1	Very high	95.3	Very high	135 Å²	135	49.1 Å²	49.1	63%	0.625	23%	0.233	S	C	*	.	H	α-helix	trans	-67	-43.2	-178.1	-65.6	100.6	0	0	0	112.6	H258 A262 M263 T264	H258-H260 VanDerWaalsContact C-N 3.33Å; H258-H260 PolarHBondContact O-N 3.35Å; H260-A262 VanDerWaalsContact C-N 3.34Å; H260-M263 WeakPolarHBondContact O-CB 3.31Å; H260-M263 PolarHBondContact O-N 3.11Å; H260-T264 PolarHBondContact O-N 3.31Å; H260-T264 PolarHBondContact O-OG1 3.48Å
261	N	92.8	Very high	95.1	Very high	88 Å²	88	56 Å²	56	47%	0.471	27%	0.265	S	S	.	.	H	α-helix	trans	-67.2	-40.8	177	-60.8	-10.8	0	0	0	110.1	Q253 H258 M263 T264 D265	Q253-N261 HydrophobicContact CG-CB 4.35Å; Q253-N261 PolarHBondContact OE1-O 3.23Å; H258-N261 PolarHBondContact O-N 2.96Å; H258-N261 VanDerWaalsContact O-N 3.16Å; N261-M263 VanDerWaalsContact C-N 3.29Å; N261-M263 PolarHBondContact O-N 2.92Å; N261-T264 WeakPolarHBondContact O-CB 3.4Å; N261-T264 PolarHBondContact O-N 3.3Å; N261-T264 VanDerWaalsContact O-N 3.12Å; N261-D265 PolarHBondContact O-N 3.03Å
262	A	95.9	Very high	94.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-34.1	178.9	0	0	0	0	0	112.2	Q253 I254 H258 W259 H260 C266 V286	Q253-A262 HydrophobicContact CB-CB 3.98Å; I254-A262 HydrophobicContact CD1-CB 4.5Å; I254-A262 HydrophobicContact CG1-CB 3.82Å; H258-A262 PolarHBondContact O-N 2.93Å; W259-A262 PolarHBondContact O-N 3.42Å; H260-A262 VanDerWaalsContact C-N 3.34Å; A262-C266 WeakPolarHBondContact O-CB 3.42Å; A262-C266 PolarHBondContact O-N 2.97Å; A262-C266 PolarHBondContact O-SG 3.15Å; A262-V286 HydrophobicContact CB-CG2 3.74Å
263	M	95.8	Very high	94.6	Very high	22 Å²	22	62.8 Å²	62.8	11%	0.108	30%	0.3	C	S	.	.	H	α-helix	trans	-61.2	-49.7	170.5	-177.6	59.1	60.6	0	0	110.8	W259 H260 N261 D265 C266 L267 R283 V286 Y287 M290	W259-M263 WeakPolarHBondContact O-CB 3.48Å; W259-M263 PolarHBondContact O-N 2.94Å; H260-M263 WeakPolarHBondContact O-CB 3.31Å; H260-M263 PolarHBondContact O-N 3.11Å; N261-M263 VanDerWaalsContact C-N 3.29Å; N261-M263 PolarHBondContact O-N 2.92Å; M263-D265 PolarHBondContact O-N 2.93Å; M263-C266 PolarHBondContact O-N 2.96Å; M263-L267 HydrophobicContact CG-CD1 3.99Å; M263-L267 HydrophobicContact CG-CG 4.47Å; M263-L267 VanDerWaalsContact O-CG 3.31Å; M263-L267 WeakPolarHBondContact O-CG 3.47Å; M263-L267 PolarHBondContact O-N 2.91Å; M263-L267 HydrophobicContact SD-CD1 4.21Å; M263-L267 HydrophobicContact SD-CG 4.22Å; M263-R283 HydrophobicContact CE-CG 3.96Å; M263-R283 HydrophobicContact SD-CG 3.78Å; M263-V286 HydrophobicContact CB-CG1 4.22Å; M263-V286 HydrophobicContact CE-CB 4.07Å; M263-V286 HydrophobicContact CE-CG1 3.67Å; M263-Y287 HydrophobicContact CE-CD1 3.49Å; M263-Y287 VanDerWaalsContact CE-CD1 3.49Å; M263-Y287 HydrophobicContact CE-CD2 4.44Å; M263-Y287 HydrophobicContact CE-CE1 3.32Å; M263-Y287 HydrophobicContact CE-CE2 4.32Å; M263-Y287 HydrophobicContact CE-CG 4.06Å; M263-Y287 HydrophobicContact SD-CE1 4.1Å; M263-M290 HydrophobicContact CE-SD 4.17Å
264	T	95.9	Very high	94.2	Very high	80 Å²	80	67 Å²	67	49%	0.491	33%	0.328	S	S	.	.	H	α-helix	trans	-58.5	-48.3	177.8	-53.5	0	0	0	0	111.9	H260 N261 C266 L267 Q268	H260-T264 PolarHBondContact O-N 3.31Å; H260-T264 PolarHBondContact O-OG1 3.48Å; N261-T264 WeakPolarHBondContact O-CB 3.4Å; N261-T264 PolarHBondContact O-N 3.3Å; N261-T264 VanDerWaalsContact O-N 3.12Å; T264-C266 VanDerWaalsContact C-N 3.32Å; T264-C266 PolarHBondContact O-N 3.16Å; T264-L267 PolarHBondContact O-N 2.93Å; T264-L267 VanDerWaalsContact O-N 3.17Å; T264-Q268 WeakPolarHBondContact O-CG 3.22Å; T264-Q268 PolarHBondContact O-N 2.76Å
265	D	95.9	Very high	93.7	Very high	4 Å²	4	75.7 Å²	75.7	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-64.7	-34.2	178.7	-76.7	-12.6	0	0	0	112.3	Y246 R249 A250 Q253 N261 M263 V269	Y246-D265 HydrophobicContact CD1-CB 4.4Å; R249-D265 WeakPolarHBondContact CB-OD2 3.24Å; R249-D265 WeakPolarHBondContact CG-OD2 3.48Å; R249-D265 IonicContact CZ-OD1 2.7Å; R249-D265 IonicContact CZ-OD2 3.61Å; R249-D265 IonicContact NE-OD1 3.26Å; R249-D265 PolarHBondContact NE-OD1 3.34Å; R249-D265 IonicContact NE-OD2 3.24Å; R249-D265 PolarHBondContact NE-OD2 3.25Å; R249-D265 IonicContact NH2-OD1 3.67Å; R249-D265 PolarHBondContact NH2-OD1 3.45Å; R249-D265 IonicContact NH2-OD2 3.76Å; A250-D265 HydrophobicContact CB-CB 3.74Å; Q253-D265 PolarHBondContact NE2-OD2 3.34Å; Q253-D265 PolarHBondContact OE1-OD2 2.7Å; N261-D265 PolarHBondContact O-N 3.03Å; M263-D265 PolarHBondContact O-N 2.93Å; D265-V269 WeakPolarHBondContact O-CG2 3.26Å; D265-V269 PolarHBondContact O-N 3.32Å
266	C	95.6	Very high	93.6	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.007	34%	0.337	C	S	.	.	H	α-helix	trans	-70.2	-36.8	172.8	-67.8	0	0	0	0	112.7	A262 M263 T264 V269 L270 R282 R283	A262-C266 WeakPolarHBondContact O-CB 3.42Å; A262-C266 PolarHBondContact O-N 2.97Å; A262-C266 PolarHBondContact O-SG 3.15Å; M263-C266 PolarHBondContact O-N 2.96Å; T264-C266 VanDerWaalsContact C-N 3.32Å; T264-C266 PolarHBondContact O-N 3.16Å; C266-V269 PolarHBondContact O-N 2.92Å; C266-L270 VanDerWaalsContact O-CG 3.31Å; C266-L270 WeakPolarHBondContact O-CG 3.48Å; C266-L270 PolarHBondContact O-N 3.35Å; C266-L270 VanDerWaalsContact O-N 3.12Å; C266-R282 VanDerWaalsContact SG-CB 3.57Å; C266-R283 HydrophobicContact CB-CB 4.04Å; C266-R283 HydrophobicContact CB-CG 4.46Å
267	L	95.6	Very high	93.5	Very high	76 Å²	76	70.1 Å²	70.1	40%	0.398	34%	0.339	S	S	.	.	H	α-helix	trans	-67.3	-42.4	176.4	-71.2	170.8	0	0	0	111.3	M263 T264 V269 L270 E271	M263-L267 HydrophobicContact CG-CD1 3.99Å; M263-L267 HydrophobicContact CG-CG 4.47Å; M263-L267 VanDerWaalsContact O-CG 3.31Å; M263-L267 WeakPolarHBondContact O-CG 3.47Å; M263-L267 PolarHBondContact O-N 2.91Å; M263-L267 HydrophobicContact SD-CD1 4.21Å; M263-L267 HydrophobicContact SD-CG 4.22Å; T264-L267 PolarHBondContact O-N 2.93Å; T264-L267 VanDerWaalsContact O-N 3.17Å; L267-V269 VanDerWaalsContact C-N 3.31Å; L267-V269 PolarHBondContact O-N 2.71Å; L267-L270 CarbonylContact O-C 3.47Å; L267-L270 PolarHBondContact O-N 3.29Å; L267-E271 PolarHBondContact O-N 3.27Å
268	Q	94.9	Very high	93.3	Very high	64 Å²	64	70.4 Å²	70.4	30%	0.299	34%	0.338	S	S	.	.	H	α-helix	trans	-60.6	-37.2	174.6	-69.3	-70.3	-88.7	0	0	112.6	Y246 T264 E271 L272	Y246-Q268 HydrophobicContact CD1-CB 3.94Å; Y246-Q268 HydrophobicContact CD1-CG 4.47Å; Y246-Q268 HydrophobicContact CE1-CB 3.82Å; Y246-Q268 HydrophobicContact CE1-CG 3.98Å; Y246-Q268 HydrophobicContact CE2-CB 4.48Å; Y246-Q268 HydrophobicContact CG-CB 4.31Å; T264-Q268 WeakPolarHBondContact O-CG 3.22Å; T264-Q268 PolarHBondContact O-N 2.76Å; Q268-E271 PolarHBondContact NE2-OE2 2.95Å; Q268-L272 WeakPolarHBondContact O-CG 3.34Å; Q268-L272 PolarHBondContact O-N 3.22Å
269	V	95.4	Very high	93.3	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-65	-41	171.1	171.3	0	0	0	0	111.9	V243 N247 D265 C266 L267 E271 L272 E273 N276 A279	V243-V269 HydrophobicContact CG1-CG1 3.79Å; V243-V269 HydrophobicContact CG1-CG2 4.29Å; N247-V269 HydrophobicContact CB-CG2 4.44Å; D265-V269 WeakPolarHBondContact O-CG2 3.26Å; D265-V269 PolarHBondContact O-N 3.32Å; C266-V269 PolarHBondContact O-N 2.92Å; L267-V269 VanDerWaalsContact C-N 3.31Å; L267-V269 PolarHBondContact O-N 2.71Å; V269-E271 VanDerWaalsContact C-N 3.34Å; V269-L272 PolarHBondContact O-N 3.44Å; V269-E273 WeakPolarHBondContact O-CA 3.39Å; V269-E273 PolarHBondContact O-N 3.24Å; V269-N276 HydrophobicContact CG1-CB 3.72Å; V269-A279 HydrophobicContact CB-CB 3.74Å; V269-A279 HydrophobicContact CG1-CB 3.37Å
270	L	93.1	Very high	93.3	Very high	19 Å²	19	64.6 Å²	64.6	10%	0.099	31%	0.314	C	S	.	.	H	α-helix	trans	-79.2	-17.1	-175.8	-65.7	169.3	0	0	0	113.5	C266 L267 P274 N276 A279 L280	C266-L270 VanDerWaalsContact O-CG 3.31Å; C266-L270 WeakPolarHBondContact O-CG 3.48Å; C266-L270 PolarHBondContact O-N 3.35Å; C266-L270 VanDerWaalsContact O-N 3.12Å; L267-L270 CarbonylContact O-C 3.47Å; L267-L270 PolarHBondContact O-N 3.29Å; L270-P274 VanDerWaalsContact O-CA 3.28Å; L270-P274 WeakPolarHBondContact O-CA 3.48Å; L270-P274 WeakPolarHBondContact O-CG 3.39Å; L270-N276 HydrophobicContact CD2-CB 4.33Å; L270-A279 HydrophobicContact CD1-CB 4.41Å; L270-A279 HydrophobicContact CD2-CB 3.91Å; L270-A279 HydrophobicContact CG-CB 3.9Å; L270-L280 HydrophobicContact CD1-CD2 3.87Å; L270-L280 HydrophobicContact CD1-CG 4.49Å; L270-L280 HydrophobicContact CD2-CD2 3.91Å; L270-L280 HydrophobicContact CD2-CG 3.86Å
271	E	93.3	Very high	93.2	Very high	144 Å²	144	59.7 Å²	59.7	67%	0.673	29%	0.292	S	S	*	.	H	α-helix	trans	-71.3	-40.3	166.5	-174.8	169.2	-157.6	0	0	111.2	L267 Q268 V269	L267-E271 PolarHBondContact O-N 3.27Å; Q268-E271 PolarHBondContact NE2-OE2 2.95Å; V269-E271 VanDerWaalsContact C-N 3.34Å
272	L	89.9	Confident	93.4	Very high	103 Å²	103	57 Å²	57	54%	0.539	28%	0.275	S	S	.	.	H	α-helix	trans	-79.4	-39.3	176.7	-64.2	171.6	0	0	0	113.2	V243 Q268 V269	V243-L272 HydrophobicContact CG2-CB 3.76Å; V243-L272 HydrophobicContact CG2-CD1 3.73Å; V243-L272 HydrophobicContact CG2-CG 4.41Å; Q268-L272 WeakPolarHBondContact O-CG 3.34Å; Q268-L272 PolarHBondContact O-N 3.22Å; V269-L272 PolarHBondContact O-N 3.44Å
273	E	91.9	Very high	93.4	Very high	87 Å²	87	59.3 Å²	59.3	41%	0.407	28%	0.284	S	S	.	.			trans	-137	84.1	-177.7	-72.2	-179.2	-166.1	0	0	111	V243 V269 R275 N276	V243-E273 HydrophobicContact CG1-CG 4.48Å; V243-E273 HydrophobicContact CG2-CG 4.12Å; V269-E273 WeakPolarHBondContact O-CA 3.39Å; V269-E273 PolarHBondContact O-N 3.24Å; E273-R275 PolarHBondContact O-N 3.38Å; E273-N276 HydrophobicContact CB-CB 3.88Å; E273-N276 WeakPolarHBondContact O-CB 3.44Å; E273-N276 PolarHBondContact O-N 2.89Å; E273-N276 PolarHBondContact OE2-ND2 3.1Å
274	P	88.2	Confident	93.3	Very high	96 Å²	96	58.2 Å²	58.2	62%	0.623	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-17.7	-177	-27.9	34.9	0	0	0	116	L270	L270-P274 VanDerWaalsContact O-CA 3.28Å; L270-P274 WeakPolarHBondContact O-CA 3.48Å; L270-P274 WeakPolarHBondContact O-CG 3.39Å
275	R	86.6	Confident	93.3	Very high	201 Å²	201	56 Å²	56	76%	0.758	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	12.7	176.5	-64.3	-168.7	-179.3	-161.9	3.5	114.1	E273 K277	E273-R275 PolarHBondContact O-N 3.38Å; R275-K277 PolarHBondContact O-N 3.32Å
276	N	92.2	Very high	93.3	Very high	20 Å²	20	55.9 Å²	55.9	11%	0.107	26%	0.264	C	S	.	.			trans	-69.8	96.9	-178.9	-169.3	-54.3	0	0	0	111.8	N247 V269 L270 E273 K278 A279 L280	N247-N276 PolarHBondContact ND2-ND2 3.03Å; V269-N276 HydrophobicContact CG1-CB 3.72Å; L270-N276 HydrophobicContact CD2-CB 4.33Å; E273-N276 HydrophobicContact CB-CB 3.88Å; E273-N276 WeakPolarHBondContact O-CB 3.44Å; E273-N276 PolarHBondContact O-N 2.89Å; E273-N276 PolarHBondContact OE2-ND2 3.1Å; N276-K278 PolarHBondContact O-N 2.6Å; N276-K278 VanDerWaalsContact O-N 3.16Å; N276-K278 WeakPolarHBondContact OD1-CB 3.39Å; N276-K278 PolarHBondContact OD1-N 3.1Å; N276-K278 VanDerWaalsContact OD1-N 3.11Å; N276-A279 HydrophobicContact CB-CB 4.18Å; N276-A279 PolarHBondContact O-N 2.87Å; N276-A279 PolarHBondContact OD1-N 3.46Å; N276-L280 PolarHBondContact O-N 3.34Å
277	K	90.8	Very high	93.3	Very high	59 Å²	59	57.4 Å²	57.4	26%	0.257	27%	0.27	S	S	.	.	H	α-helix	trans	-56	-32.3	-178.2	-46.6	-174.3	-164.4	-176.9	0	113.5	R275 L281 E306 E307	R275-K277 PolarHBondContact O-N 3.32Å; K277-L281 WeakPolarHBondContact O-CB 3.34Å; K277-L281 PolarHBondContact O-N 3.03Å; K277-E306 HydrophobicContact CD-CB 3.94Å; K277-E306 PolarHBondContact NZ-O 3.44Å; K277-E306 IonicContact NZ-OE2 3.26Å; K277-E307 HydrophobicContact CD-CG 3.73Å; K277-E307 WeakPolarHBondContact CD-OE1 3.41Å; K277-E307 IonicContact NZ-OE1 3.96Å; K277-E307 PolarHBondContact NZ-OE1 3.17Å; K277-E307 VanDerWaalsContact NZ-OE1 3.15Å
278	K	91.6	Very high	93.2	Very high	140 Å²	140	56.4 Å²	56.4	61%	0.609	26%	0.261	S	S	*	.	H	α-helix	trans	-70.4	-40.7	177.9	-65	176.3	-178.5	170	0	111.1	N276 R282	N276-K278 PolarHBondContact O-N 2.6Å; N276-K278 VanDerWaalsContact O-N 3.16Å; N276-K278 WeakPolarHBondContact OD1-CB 3.39Å; N276-K278 PolarHBondContact OD1-N 3.1Å; N276-K278 VanDerWaalsContact OD1-N 3.11Å; K278-R282 WeakPolarHBondContact O-CB 3.31Å; K278-R282 WeakPolarHBondContact O-CD 3.44Å; K278-R282 WeakPolarHBondContact O-CG 3.45Å; K278-R282 PolarHBondContact O-N 2.91Å
279	A	93.9	Very high	93	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-70.6	-39	175	0	0	0	0	0	112.5	V269 L270 N276 R282 R283	V269-A279 HydrophobicContact CB-CB 3.74Å; V269-A279 HydrophobicContact CG1-CB 3.37Å; L270-A279 HydrophobicContact CD1-CB 4.41Å; L270-A279 HydrophobicContact CD2-CB 3.91Å; L270-A279 HydrophobicContact CG-CB 3.9Å; N276-A279 HydrophobicContact CB-CB 4.18Å; N276-A279 PolarHBondContact O-N 2.87Å; N276-A279 PolarHBondContact OD1-N 3.46Å; A279-R282 PolarHBondContact O-N 3.4Å; A279-R283 VanDerWaalsContact O-CB 3.27Å; A279-R283 WeakPolarHBondContact O-CB 3.21Å; A279-R283 PolarHBondContact O-N 3.01Å
280	L	94.2	Very high	92.8	Very high	18 Å²	18	60.7 Å²	60.7	9%	0.094	28%	0.282	C	S	.	.	H	α-helix	trans	-59.6	-47.8	172.1	-68.8	170.5	0	0	0	111.8	L270 N276 R282 R283 A284 V303	L270-L280 HydrophobicContact CD1-CD2 3.87Å; L270-L280 HydrophobicContact CD1-CG 4.49Å; L270-L280 HydrophobicContact CD2-CD2 3.91Å; L270-L280 HydrophobicContact CD2-CG 3.86Å; N276-L280 PolarHBondContact O-N 3.34Å; L280-R282 VanDerWaalsContact C-N 3.34Å; L280-R282 PolarHBondContact O-N 3.44Å; L280-R283 PolarHBondContact O-N 3.44Å; L280-A284 WeakPolarHBondContact O-CB 3.27Å; L280-A284 PolarHBondContact O-N 3.34Å; L280-V303 HydrophobicContact CB-CG2 3.52Å; L280-V303 HydrophobicContact CD1-CG2 4.29Å
281	L	94.3	Very high	92.6	Very high	31 Å²	31	61.7 Å²	61.7	16%	0.162	30%	0.296	C	S	.	.	H	α-helix	trans	-63.4	-37.3	177.3	-179.3	61.9	0	0	0	112.7	K277 T285 L300 V303 A312 A313	K277-L281 WeakPolarHBondContact O-CB 3.34Å; K277-L281 PolarHBondContact O-N 3.03Å; L281-T285 PolarHBondContact O-N 3.34Å; L281-T285 PolarHBondContact O-OG1 3.27Å; L281-L300 HydrophobicContact CD1-CD2 3.84Å; L281-V303 HydrophobicContact CB-CG2 4.44Å; L281-A312 HydrophobicContact CD1-CB 4.47Å; L281-A312 HydrophobicContact CD2-CB 3.92Å; L281-A313 HydrophobicContact CD1-CB 4.13Å
282	R	95.5	Very high	92.5	Very high	33 Å²	33	59.1 Å²	59.1	13%	0.125	28%	0.283	C	S	.	.	H	α-helix	trans	-68.9	-43.2	174.3	-75.1	166.2	175.1	158.4	-8.2	111.6	N247 Q251 I254 C266 K278 A279 L280 T285 V286	N247-R282 VanDerWaalsContact CB-NH1 3.3Å; N247-R282 VanDerWaalsContact O-CZ 3.27Å; N247-R282 PolarHBondContact O-NH1 2.82Å; N247-R282 PolarHBondContact OD1-NH1 2.81Å; Q251-R282 VanDerWaalsContact OE1-NH2 3.1Å; I254-R282 HydrophobicContact CD1-CB 3.89Å; I254-R282 HydrophobicContact CD1-CG 4.05Å; C266-R282 VanDerWaalsContact SG-CB 3.57Å; K278-R282 WeakPolarHBondContact O-CB 3.31Å; K278-R282 WeakPolarHBondContact O-CD 3.44Å; K278-R282 WeakPolarHBondContact O-CG 3.45Å; K278-R282 PolarHBondContact O-N 2.91Å; A279-R282 PolarHBondContact O-N 3.4Å; L280-R282 VanDerWaalsContact C-N 3.34Å; L280-R282 PolarHBondContact O-N 3.44Å; R282-T285 WeakPolarHBondContact O-CA 3.44Å; R282-T285 WeakPolarHBondContact O-CB 3.49Å; R282-T285 PolarHBondContact O-N 3.19Å; R282-T285 VanDerWaalsContact O-N 3.12Å; R282-V286 WeakPolarHBondContact O-CG2 3.27Å; R282-V286 PolarHBondContact O-N 3.34Å
283	R	95.9	Very high	92.6	Very high	47 Å²	47	57.7 Å²	57.7	18%	0.177	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-42.7	175.7	-166.6	174	69.1	-178.7	0	111.7	M263 C266 A279 L280 T285 V286 Y287 D299	M263-R283 HydrophobicContact CE-CG 3.96Å; M263-R283 HydrophobicContact SD-CG 3.78Å; C266-R283 HydrophobicContact CB-CB 4.04Å; C266-R283 HydrophobicContact CB-CG 4.46Å; A279-R283 VanDerWaalsContact O-CB 3.27Å; A279-R283 WeakPolarHBondContact O-CB 3.21Å; A279-R283 PolarHBondContact O-N 3.01Å; L280-R283 PolarHBondContact O-N 3.44Å; R283-T285 VanDerWaalsContact C-N 3.31Å; R283-T285 PolarHBondContact O-N 2.85Å; R283-V286 PolarHBondContact O-N 2.94Å; R283-Y287 HydrophobicContact CG-CD2 3.92Å; R283-Y287 HydrophobicContact CG-CE2 3.56Å; R283-Y287 WeakPolarHBondContact O-CD2 3.46Å; R283-Y287 PolarHBondContact O-N 3.41Å; R283-D299 WeakPolarHBondContact CG-OD2 3.5Å; R283-D299 IonicContact CZ-OD1 2.76Å; R283-D299 IonicContact CZ-OD2 2.67Å; R283-D299 IonicContact NE-OD1 2.89Å; R283-D299 PolarHBondContact NE-OD1 3.44Å; R283-D299 IonicContact NE-OD2 3.45Å; R283-D299 PolarHBondContact NE-OD2 3.5Å; R283-D299 IonicContact NH2-OD1 3.69Å; R283-D299 PolarHBondContact NH2-OD1 2.56Å; R283-D299 IonicContact NH2-OD2 2.97Å
284	A	94.6	Very high	92.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58.7	-40.6	170.9	0	0	0	0	0	112.8	L280 Y287 Y288 A296 D299 L300 L316	L280-A284 WeakPolarHBondContact O-CB 3.27Å; L280-A284 PolarHBondContact O-N 3.34Å; A284-Y287 PolarHBondContact O-N 3.03Å; A284-Y288 WeakPolarHBondContact O-CB 3.42Å; A284-Y288 PolarHBondContact O-N 3.24Å; A284-A296 WeakPolarHBondContact O-CB 3.44Å; A284-D299 HydrophobicContact CB-CB 3.76Å; A284-L300 HydrophobicContact CB-CD1 4.32Å; A284-L300 HydrophobicContact CB-CD2 4.14Å; A284-L300 HydrophobicContact CB-CG 3.79Å; A284-L316 HydrophobicContact CB-CD2 4.29Å
285	T	95.3	Very high	92.5	Very high	34 Å²	34	58.2 Å²	58.2	21%	0.209	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-46.5	175.3	-56.2	0	0	0	0	110.7	I254 L281 R282 R283 Y288 H289	I254-T285 HydrophobicContact CG2-CG2 4.36Å; L281-T285 PolarHBondContact O-N 3.34Å; L281-T285 PolarHBondContact O-OG1 3.27Å; R282-T285 WeakPolarHBondContact O-CA 3.44Å; R282-T285 WeakPolarHBondContact O-CB 3.49Å; R282-T285 PolarHBondContact O-N 3.19Å; R282-T285 VanDerWaalsContact O-N 3.12Å; R283-T285 VanDerWaalsContact C-N 3.31Å; R283-T285 PolarHBondContact O-N 2.85Å; T285-Y288 WeakPolarHBondContact O-CB 3.38Å; T285-Y288 PolarHBondContact O-N 3.42Å; T285-H289 PolarHBondContact O-CD2 3.31Å; T285-H289 VanDerWaalsContact O-CD2 3.25Å; T285-H289 PolarHBondContact O-N 3.46Å; T285-H289 VanDerWaalsContact O-N 3.11Å
286	V	96.3	Very high	92.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-46.2	175.2	179.1	0	0	0	0	111.1	I254 W259 A262 M263 R282 R283 Y288 H289 M290	I254-V286 HydrophobicContact CD1-CG2 3.89Å; I254-V286 HydrophobicContact CG1-CG2 3.81Å; W259-V286 HydrophobicContact CB-CG1 4.09Å; W259-V286 HydrophobicContact CE3-CG1 4.46Å; W259-V286 HydrophobicContact CE3-CG2 4.37Å; W259-V286 VanDerWaalsContact O-CG1 3.29Å; W259-V286 WeakPolarHBondContact O-CG1 3.33Å; A262-V286 HydrophobicContact CB-CG2 3.74Å; M263-V286 HydrophobicContact CB-CG1 4.22Å; M263-V286 HydrophobicContact CE-CB 4.07Å; M263-V286 HydrophobicContact CE-CG1 3.67Å; R282-V286 WeakPolarHBondContact O-CG2 3.27Å; R282-V286 PolarHBondContact O-N 3.34Å; R283-V286 PolarHBondContact O-N 2.94Å; V286-Y288 VanDerWaalsContact C-N 3.32Å; V286-Y288 PolarHBondContact O-N 3.03Å; V286-H289 PolarHBondContact O-N 2.9Å; V286-H289 VanDerWaalsContact O-N 3.16Å; V286-M290 HydrophobicContact CG1-CG 4.21Å; V286-M290 HydrophobicContact CG1-SD 3.89Å; V286-M290 VanDerWaalsContact O-CG 3.3Å; V286-M290 WeakPolarHBondContact O-CG 3.4Å; V286-M290 PolarHBondContact O-N 3.39Å
287	Y	95.7	Very high	92.8	Very high	34 Å²	34	48.1 Å²	48.1	13%	0.133	23%	0.229	C	C	.	.	H	α-helix	trans	-59.5	-39.4	176.3	-77.6	-43.2	0	0	0	112.6	M263 R283 A284 M290 G291 K292 M295 D299	M263-Y287 HydrophobicContact CE-CD1 3.49Å; M263-Y287 VanDerWaalsContact CE-CD1 3.49Å; M263-Y287 HydrophobicContact CE-CD2 4.44Å; M263-Y287 HydrophobicContact CE-CE1 3.32Å; M263-Y287 HydrophobicContact CE-CE2 4.32Å; M263-Y287 HydrophobicContact CE-CG 4.06Å; M263-Y287 HydrophobicContact SD-CE1 4.1Å; R283-Y287 HydrophobicContact CG-CD2 3.92Å; R283-Y287 HydrophobicContact CG-CE2 3.56Å; R283-Y287 WeakPolarHBondContact O-CD2 3.46Å; R283-Y287 PolarHBondContact O-N 3.41Å; A284-Y287 PolarHBondContact O-N 3.03Å; Y287-M290 CarbonylContact O-C 3.5Å; Y287-M290 PolarHBondContact O-N 3.31Å; Y287-G291 PolarHBondContact O-N 3.44Å; Y287-G291 VanDerWaalsContact O-N 3.13Å; Y287-K292 HydrophobicContact CD1-CB 3.81Å; Y287-K292 HydrophobicContact CD1-CD 3.76Å; Y287-K292 HydrophobicContact CD1-CG 4.4Å; Y287-K292 HydrophobicContact CE1-CD 4.04Å; Y287-K292 HydrophobicContact CG-CB 4.23Å; Y287-K292 PolarHBondContact O-N 2.85Å; Y287-M295 HydrophobicContact CD1-CB 4.25Å; Y287-M295 HydrophobicContact CD1-SD 4.11Å; Y287-M295 HydrophobicContact CD2-CB 3.66Å; Y287-M295 HydrophobicContact CE1-CB 4.31Å; Y287-M295 HydrophobicContact CE1-SD 3.66Å; Y287-M295 HydrophobicContact CE2-CB 3.72Å; Y287-M295 HydrophobicContact CG-CB 3.95Å; Y287-D299 WeakPolarHBondContact CE2-OD2 3.45Å
288	Y	93.9	Very high	92.8	Very high	54 Å²	54	49.4 Å²	49.4	21%	0.212	24%	0.236	C	C	.	.	H	α-helix	trans	-59.2	-47.5	173.3	172.4	-95	0	0	0	111.7	A284 T285 V286 M290 G291 F293 L316 R319 I320	A284-Y288 WeakPolarHBondContact O-CB 3.42Å; A284-Y288 PolarHBondContact O-N 3.24Å; T285-Y288 WeakPolarHBondContact O-CB 3.38Å; T285-Y288 PolarHBondContact O-N 3.42Å; V286-Y288 VanDerWaalsContact C-N 3.32Å; V286-Y288 PolarHBondContact O-N 3.03Å; Y288-M290 VanDerWaalsContact C-N 3.29Å; Y288-M290 PolarHBondContact O-N 3.01Å; Y288-G291 PolarHBondContact O-N 3.38Å; Y288-G291 VanDerWaalsContact O-N 3.12Å; Y288-F293 HydrophobicContact CD2-CD1 4Å; Y288-F293 AromaticContact CD2-CE1 3.81Å; Y288-F293 HydrophobicContact CD2-CE1 3.81Å; Y288-F293 HydrophobicContact CE2-CE1 4.08Å; Y288-L316 HydrophobicContact CD1-CD1 4.01Å; Y288-L316 HydrophobicContact CD2-CD1 3.96Å; Y288-L316 HydrophobicContact CE1-CD1 4.41Å; Y288-L316 HydrophobicContact CE2-CD1 4.34Å; Y288-L316 HydrophobicContact CG-CD1 3.78Å; Y288-R319 HydrophobicContact CE2-CB 4.19Å; Y288-I320 HydrophobicContact CD2-CD1 4.33Å; Y288-I320 HydrophobicContact CD2-CG1 3.64Å; Y288-I320 HydrophobicContact CE2-CG1 4.16Å
289	H	91.2	Very high	92.9	Very high	94 Å²	94	43.3 Å²	43.3	44%	0.435	21%	0.21	S	C	.	.	H	α-helix	trans	-69.6	-24.1	176.5	-76.5	-82.5	0	0	0	113.5	W259 T285 V286 G291	W259-H289 HydrophobicContact CD2-CB 3.75Å; W259-H289 HydrophobicContact CE3-CB 3.73Å; W259-H289 HydrophobicContact CH2-CB 3.76Å; W259-H289 AromaticContact CH2-CD2 3.44Å; W259-H289 VanDerWaalsContact CH2-CD2 3.44Å; W259-H289 WeakPolarHBondContact CH2-CD2 3.47Å; W259-H289 AromaticContact CH2-CE1 3.78Å; W259-H289 AromaticContact CH2-CG 3.3Å; W259-H289 AromaticContact CH2-ND1 3.53Å; W259-H289 AromaticContact CH2-NE2 3.77Å; W259-H289 HydrophobicContact CZ2-CB 3.75Å; W259-H289 AromaticContact CZ2-CG 3.58Å; W259-H289 AromaticContact CZ2-ND1 3.56Å; W259-H289 HydrophobicContact CZ3-CB 3.73Å; W259-H289 AromaticContact CZ3-CD2 3.54Å; W259-H289 AromaticContact CZ3-CG 3.6Å; T285-H289 PolarHBondContact O-CD2 3.31Å; T285-H289 VanDerWaalsContact O-CD2 3.25Å; T285-H289 PolarHBondContact O-N 3.46Å; T285-H289 VanDerWaalsContact O-N 3.11Å; V286-H289 PolarHBondContact O-N 2.9Å; V286-H289 VanDerWaalsContact O-N 3.16Å; H289-G291 VanDerWaalsContact C-N 3.32Å
290	M	91.4	Very high	92.8	Very high	61 Å²	61	43.3 Å²	43.3	30%	0.3	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	4.6	170.6	-64.6	-177.3	87	0	0	114.1	W259 M263 V286 Y287 Y288 K292	W259-M290 HydrophobicContact CB-CG 4.29Å; M263-M290 HydrophobicContact CE-SD 4.17Å; V286-M290 HydrophobicContact CG1-CG 4.21Å; V286-M290 HydrophobicContact CG1-SD 3.89Å; V286-M290 VanDerWaalsContact O-CG 3.3Å; V286-M290 WeakPolarHBondContact O-CG 3.4Å; V286-M290 PolarHBondContact O-N 3.39Å; Y287-M290 CarbonylContact O-C 3.5Å; Y287-M290 PolarHBondContact O-N 3.31Å; Y288-M290 VanDerWaalsContact C-N 3.29Å; Y288-M290 PolarHBondContact O-N 3.01Å; M290-K292 HydrophobicContact CB-CD 4.47Å; M290-K292 HydrophobicContact CB-CG 4.43Å; M290-K292 PolarHBondContact O-N 3.08Å
291	G	88.6	Confident	92.6	Very high	39 Å²	39	48.8 Å²	48.8	40%	0.402	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	6.3	-177.2	0	0	0	0	0	115.3	Y287 Y288 H289 F293	Y287-G291 PolarHBondContact O-N 3.44Å; Y287-G291 VanDerWaalsContact O-N 3.13Å; Y288-G291 PolarHBondContact O-N 3.38Å; Y288-G291 VanDerWaalsContact O-N 3.12Å; H289-G291 VanDerWaalsContact C-N 3.32Å; G291-F293 VanDerWaalsContact O-CD2 3.3Å; G291-F293 WeakPolarHBondContact O-CD2 3.49Å; G291-F293 PolarHBondContact O-N 3.09Å
292	K	90.8	Very high	92.5	Very high	90 Å²	90	50.1 Å²	50.1	39%	0.391	24%	0.239	S	C	.	.			trans	-83.8	55.9	-178.6	-70.8	178.9	170.2	-174.7	0	111.2	Y287 M290 Q294 M295 A296	Y287-K292 HydrophobicContact CD1-CB 3.81Å; Y287-K292 HydrophobicContact CD1-CD 3.76Å; Y287-K292 HydrophobicContact CD1-CG 4.4Å; Y287-K292 HydrophobicContact CE1-CD 4.04Å; Y287-K292 HydrophobicContact CG-CB 4.23Å; Y287-K292 PolarHBondContact O-N 2.85Å; M290-K292 HydrophobicContact CB-CD 4.47Å; M290-K292 HydrophobicContact CB-CG 4.43Å; M290-K292 PolarHBondContact O-N 3.08Å; K292-Q294 VanDerWaalsContact C-N 3.27Å; K292-Q294 PolarHBondContact O-N 2.91Å; K292-M295 HydrophobicContact CB-CE 4.38Å; K292-M295 HydrophobicContact CB-SD 4.2Å; K292-M295 HydrophobicContact CD-CE 4.01Å; K292-M295 HydrophobicContact CD-SD 3.94Å; K292-M295 HydrophobicContact CG-CE 4.23Å; K292-M295 HydrophobicContact CG-SD 4.44Å; K292-M295 PolarHBondContact O-N 2.71Å; K292-A296 PolarHBondContact O-N 2.78Å
293	F	91	Very high	92.3	Very high	74 Å²	74	48.6 Å²	48.6	33%	0.325	23%	0.234	S	C	.	.	H	α-helix	trans	-57.5	-33.2	-170.5	-57.7	-56.1	0	0	0	114.5	Y288 G291 S297 I320 V323	Y288-F293 HydrophobicContact CD2-CD1 4Å; Y288-F293 AromaticContact CD2-CE1 3.81Å; Y288-F293 HydrophobicContact CD2-CE1 3.81Å; Y288-F293 HydrophobicContact CE2-CE1 4.08Å; G291-F293 VanDerWaalsContact O-CD2 3.3Å; G291-F293 WeakPolarHBondContact O-CD2 3.49Å; G291-F293 PolarHBondContact O-N 3.09Å; F293-S297 WeakPolarHBondContact O-CB 3.24Å; F293-S297 PolarHBondContact O-N 3.4Å; F293-I320 HydrophobicContact CB-CG2 4.19Å; F293-I320 HydrophobicContact CD1-CG1 4.34Å; F293-V323 HydrophobicContact CD2-CG1 4.41Å; F293-V323 HydrophobicContact CE1-CG1 4.38Å; F293-V323 HydrophobicContact CE2-CG1 3.83Å; F293-V323 HydrophobicContact CZ-CG1 3.82Å
294	Q	89.1	Confident	92	Very high	116 Å²	116	47.7 Å²	47.7	54%	0.542	23%	0.232	S	C	.	.	H	α-helix	trans	-63.4	-53.9	177	-177.4	61.6	22.9	0	0	111.6	K292 A296 S297 E298	K292-Q294 VanDerWaalsContact C-N 3.27Å; K292-Q294 PolarHBondContact O-N 2.91Å; Q294-A296 VanDerWaalsContact C-N 3.31Å; Q294-A296 PolarHBondContact O-N 3.34Å; Q294-S297 WeakPolarHBondContact O-CA 3.36Å; Q294-S297 WeakPolarHBondContact O-CB 3.38Å; Q294-S297 PolarHBondContact O-N 3.36Å; Q294-S297 PolarHBondContact O-OG 3.2Å; Q294-E298 WeakPolarHBondContact CG-OE1 3.28Å; Q294-E298 PolarHBondContact NE2-OE1 3.09Å; Q294-E298 PolarHBondContact O-N 3.26Å
295	M	90.8	Very high	91.8	Very high	77 Å²	77	55.4 Å²	55.4	38%	0.379	27%	0.268	S	S	.	.	H	α-helix	trans	-61.2	-40.1	177.3	-60.1	169.1	-142.6	0	0	111.3	Y287 K292 S297 E298 D299	Y287-M295 HydrophobicContact CD1-CB 4.25Å; Y287-M295 HydrophobicContact CD1-SD 4.11Å; Y287-M295 HydrophobicContact CD2-CB 3.66Å; Y287-M295 HydrophobicContact CE1-CB 4.31Å; Y287-M295 HydrophobicContact CE1-SD 3.66Å; Y287-M295 HydrophobicContact CE2-CB 3.72Å; Y287-M295 HydrophobicContact CG-CB 3.95Å; K292-M295 HydrophobicContact CB-CE 4.38Å; K292-M295 HydrophobicContact CB-SD 4.2Å; K292-M295 HydrophobicContact CD-CE 4.01Å; K292-M295 HydrophobicContact CD-SD 3.94Å; K292-M295 HydrophobicContact CG-CE 4.23Å; K292-M295 HydrophobicContact CG-SD 4.44Å; K292-M295 PolarHBondContact O-N 2.71Å; M295-S297 VanDerWaalsContact C-N 3.29Å; M295-S297 PolarHBondContact O-N 3.33Å; M295-E298 PolarHBondContact O-N 3.35Å; M295-E298 VanDerWaalsContact O-N 3.15Å; M295-D299 PolarHBondContact O-N 2.79Å
296	A	94.1	Very high	91.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.8	-39.3	173.2	0	0	0	0	0	112	A284 K292 Q294 E298 L300 I320	A284-A296 WeakPolarHBondContact O-CB 3.44Å; K292-A296 PolarHBondContact O-N 2.78Å; Q294-A296 VanDerWaalsContact C-N 3.31Å; Q294-A296 PolarHBondContact O-N 3.34Å; A296-E298 VanDerWaalsContact C-N 3.32Å; A296-E298 PolarHBondContact O-N 3.31Å; A296-L300 WeakPolarHBondContact O-CB 3.48Å; A296-L300 VanDerWaalsContact O-CD1 3.29Å; A296-L300 WeakPolarHBondContact O-CD1 3.34Å; A296-L300 WeakPolarHBondContact O-CG 3.31Å; A296-L300 PolarHBondContact O-N 3.14Å; A296-I320 HydrophobicContact CB-CD1 3.71Å
297	S	90.6	Very high	91	Very high	9 Å²	9	61.9 Å²	61.9	6%	0.063	30%	0.296	C	S	.	.	H	α-helix	trans	-68.8	-29.1	176.5	82.4	0	0	0	0	113.2	F293 Q294 M295 R301	F293-S297 WeakPolarHBondContact O-CB 3.24Å; F293-S297 PolarHBondContact O-N 3.4Å; Q294-S297 WeakPolarHBondContact O-CA 3.36Å; Q294-S297 WeakPolarHBondContact O-CB 3.38Å; Q294-S297 PolarHBondContact O-N 3.36Å; Q294-S297 PolarHBondContact O-OG 3.2Å; M295-S297 VanDerWaalsContact C-N 3.29Å; M295-S297 PolarHBondContact O-N 3.33Å; S297-R301 VanDerWaalsContact O-CG 3.27Å; S297-R301 WeakPolarHBondContact O-CG 3.27Å; S297-R301 PolarHBondContact O-N 3.28Å; S297-R301 PolarHBondContact O-NH1 3.32Å; S297-R301 PolarHBondContact OG-NH1 3.46Å
298	E	90.9	Very high	90.5	Very high	87 Å²	87	65.3 Å²	65.3	41%	0.407	32%	0.322	S	S	.	.	H	α-helix	trans	-75.1	-48.7	178.1	-71.4	157.3	-177.7	0	0	111	Q294 M295 A296 L300 R301 T302	Q294-E298 WeakPolarHBondContact CG-OE1 3.28Å; Q294-E298 PolarHBondContact NE2-OE1 3.09Å; Q294-E298 PolarHBondContact O-N 3.26Å; M295-E298 PolarHBondContact O-N 3.35Å; M295-E298 VanDerWaalsContact O-N 3.15Å; A296-E298 VanDerWaalsContact C-N 3.32Å; A296-E298 PolarHBondContact O-N 3.31Å; E298-L300 PolarHBondContact O-N 3.12Å; E298-R301 PolarHBondContact O-N 3.27Å; E298-R301 VanDerWaalsContact O-N 3.11Å; E298-T302 PolarHBondContact O-N 2.94Å; E298-T302 VanDerWaalsContact O-N 3.09Å
299	D	92.5	Very high	90.3	Very high	11 Å²	11	70 Å²	70	6%	0.059	35%	0.351	C	S	.	.	H	α-helix	trans	-58.4	-35.5	171.3	-79.8	-12.9	0	0	0	112.2	R283 A284 Y287 M295 T302 V303	R283-D299 WeakPolarHBondContact CG-OD2 3.5Å; R283-D299 IonicContact CZ-OD1 2.76Å; R283-D299 IonicContact CZ-OD2 2.67Å; R283-D299 IonicContact NE-OD1 2.89Å; R283-D299 PolarHBondContact NE-OD1 3.44Å; R283-D299 IonicContact NE-OD2 3.45Å; R283-D299 PolarHBondContact NE-OD2 3.5Å; R283-D299 IonicContact NH2-OD1 3.69Å; R283-D299 PolarHBondContact NH2-OD1 2.56Å; R283-D299 IonicContact NH2-OD2 2.97Å; A284-D299 HydrophobicContact CB-CB 3.76Å; Y287-D299 WeakPolarHBondContact CE2-OD2 3.45Å; M295-D299 PolarHBondContact O-N 2.79Å; D299-T302 PolarHBondContact O-OG1 3.46Å; D299-V303 VanDerWaalsContact O-CG2 3.32Å; D299-V303 WeakPolarHBondContact O-CG2 3.36Å; D299-V303 PolarHBondContact O-N 3.38Å; D299-V303 VanDerWaalsContact O-N 3.12Å
300	L	92.6	Very high	90.2	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-74.3	-32.6	175.8	-72.2	166.1	0	0	0	113.1	L281 A284 A296 E298 L304 A313 L316 I317 I320	L281-L300 HydrophobicContact CD1-CD2 3.84Å; A284-L300 HydrophobicContact CB-CD1 4.32Å; A284-L300 HydrophobicContact CB-CD2 4.14Å; A284-L300 HydrophobicContact CB-CG 3.79Å; A296-L300 WeakPolarHBondContact O-CB 3.48Å; A296-L300 VanDerWaalsContact O-CD1 3.29Å; A296-L300 WeakPolarHBondContact O-CD1 3.34Å; A296-L300 WeakPolarHBondContact O-CG 3.31Å; A296-L300 PolarHBondContact O-N 3.14Å; E298-L300 PolarHBondContact O-N 3.12Å; L300-L304 VanDerWaalsContact O-CB 3.3Å; L300-L304 WeakPolarHBondContact O-CB 3.37Å; L300-L304 WeakPolarHBondContact O-CG 3.41Å; L300-L304 PolarHBondContact O-N 2.84Å; L300-A313 HydrophobicContact CD2-CB 3.77Å; L300-L316 HydrophobicContact CD1-CB 3.97Å; L300-L316 HydrophobicContact CD1-CD2 3.97Å; L300-L316 HydrophobicContact CD1-CG 3.85Å; L300-L316 HydrophobicContact CD2-CB 4.29Å; L300-L316 HydrophobicContact CD2-CD2 4.3Å; L300-I317 HydrophobicContact CB-CB 4.39Å; L300-I317 HydrophobicContact CB-CD1 4.14Å; L300-I317 HydrophobicContact CB-CG1 4.43Å; L300-I317 HydrophobicContact CD1-CB 4.01Å; L300-I317 HydrophobicContact CD1-CG1 4.41Å; L300-I320 HydrophobicContact CD1-CD1 3.5Å; L300-I320 VanDerWaalsContact CD1-CD1 3.5Å
301	R	90.6	Very high	90.1	Very high	134 Å²	134	69 Å²	69	51%	0.506	36%	0.356	S	S	.	.	H	α-helix	trans	-64.7	-43	172.8	-78.4	177.1	-161.1	99.7	-1.3	111	S297 E298 L304 Q305	S297-R301 VanDerWaalsContact O-CG 3.27Å; S297-R301 WeakPolarHBondContact O-CG 3.27Å; S297-R301 PolarHBondContact O-N 3.28Å; S297-R301 PolarHBondContact O-NH1 3.32Å; S297-R301 PolarHBondContact OG-NH1 3.46Å; E298-R301 PolarHBondContact O-N 3.27Å; E298-R301 VanDerWaalsContact O-N 3.11Å; R301-L304 PolarHBondContact O-N 2.92Å; R301-Q305 WeakPolarHBondContact O-CB 3.33Å; R301-Q305 PolarHBondContact O-N 3.16Å
302	T	90.5	Very high	90	Very high	59 Å²	59	69.7 Å²	69.7	36%	0.362	36%	0.358	S	S	.	.	H	α-helix	trans	-67	-40.5	178.3	57.5	0	0	0	0	111.8	E298 D299 Q305 E306	E298-T302 PolarHBondContact O-N 2.94Å; E298-T302 VanDerWaalsContact O-N 3.09Å; D299-T302 PolarHBondContact O-OG1 3.46Å; T302-Q305 PolarHBondContact O-N 2.76Å; T302-E306 PolarHBondContact O-N 3.05Å
303	V	92.3	Very high	89.9	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.006	34%	0.34	C	S	.	.	H	α-helix	trans	-62.4	-41.7	172.2	172.3	0	0	0	0	112	L280 L281 D299 E306 E307 A313	L280-V303 HydrophobicContact CB-CG2 3.52Å; L280-V303 HydrophobicContact CD1-CG2 4.29Å; L281-V303 HydrophobicContact CB-CG2 4.44Å; D299-V303 VanDerWaalsContact O-CG2 3.32Å; D299-V303 WeakPolarHBondContact O-CG2 3.36Å; D299-V303 PolarHBondContact O-N 3.38Å; D299-V303 VanDerWaalsContact O-N 3.12Å; V303-E306 CarbonylContact O-C 3.46Å; V303-E306 PolarHBondContact O-N 3.02Å; V303-E307 PolarHBondContact O-N 2.91Å; V303-A313 HydrophobicContact CG1-CB 3.84Å
304	L	90.2	Very high	89.9	Confident	28 Å²	28	66.1 Å²	66.1	15%	0.147	35%	0.345	C	S	.	.	H	α-helix	trans	-75.4	-24.5	179.9	-70.8	169.9	0	0	0	113.8	L300 R301 E306 E307 P308 A313 M314 I317	L300-L304 VanDerWaalsContact O-CB 3.3Å; L300-L304 WeakPolarHBondContact O-CB 3.37Å; L300-L304 WeakPolarHBondContact O-CG 3.41Å; L300-L304 PolarHBondContact O-N 2.84Å; R301-L304 PolarHBondContact O-N 2.92Å; L304-E306 VanDerWaalsContact C-N 3.3Å; L304-E307 CarbonylContact O-C 3.34Å; L304-P308 VanDerWaalsContact O-CA 3.24Å; L304-P308 WeakPolarHBondContact O-CA 3.19Å; L304-A313 HydrophobicContact CD2-CB 3.73Å; L304-A313 HydrophobicContact CG-CB 3.94Å; L304-M314 HydrophobicContact CD1-SD 3.86Å; L304-M314 HydrophobicContact CD2-CG 3.75Å; L304-M314 HydrophobicContact CD2-SD 3.69Å; L304-M314 HydrophobicContact CG-SD 4.45Å; L304-I317 HydrophobicContact CD1-CD1 4.12Å; L304-I317 HydrophobicContact CD1-CG2 4.07Å
305	Q	88.6	Confident	89.9	Confident	162 Å²	162	62.1 Å²	62.1	76%	0.757	34%	0.335	S	S	*	.	H	α-helix	trans	-67.4	-34.5	169.9	-176.6	173.4	-2.8	0	0	111.4	R301 T302	R301-Q305 WeakPolarHBondContact O-CB 3.33Å; R301-Q305 PolarHBondContact O-N 3.16Å; T302-Q305 PolarHBondContact O-N 2.76Å
306	E	86.4	Confident	89.8	Confident	96 Å²	96	59.1 Å²	59.1	45%	0.449	32%	0.321	S	S	.	.	H	α-helix	trans	-91.3	-20.3	179.4	-74.7	-77.4	160.1	0	0	113.9	K277 T302 V303 L304	K277-E306 HydrophobicContact CD-CB 3.94Å; K277-E306 PolarHBondContact NZ-O 3.44Å; K277-E306 IonicContact NZ-OE2 3.26Å; T302-E306 PolarHBondContact O-N 3.05Å; V303-E306 CarbonylContact O-C 3.46Å; V303-E306 PolarHBondContact O-N 3.02Å; L304-E306 VanDerWaalsContact C-N 3.3Å
307	E	88.4	Confident	89.6	Confident	74 Å²	74	60 Å²	60	35%	0.346	33%	0.325	S	S	.	.			trans	-146.9	79.8	176.7	-63.9	-175.5	173.4	0	0	111.5	K277 V303 L304 N309 N310	K277-E307 HydrophobicContact CD-CG 3.73Å; K277-E307 WeakPolarHBondContact CD-OE1 3.41Å; K277-E307 IonicContact NZ-OE1 3.96Å; K277-E307 PolarHBondContact NZ-OE1 3.17Å; K277-E307 VanDerWaalsContact NZ-OE1 3.15Å; V303-E307 PolarHBondContact O-N 2.91Å; L304-E307 CarbonylContact O-C 3.34Å; E307-N309 PolarHBondContact O-N 2.89Å; E307-N310 HydrophobicContact CB-CB 3.87Å; E307-N310 WeakPolarHBondContact O-CB 3.48Å; E307-N310 PolarHBondContact O-N 3.33Å; E307-N310 VanDerWaalsContact O-N 3.1Å; E307-N310 PolarHBondContact OE2-ND2 3.41Å
308	P	86.7	Confident	89.5	Confident	105 Å²	105	62.2 Å²	62.2	68%	0.682	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-18.8	-174.3	-27.6	35.7	0	0	0	115.9	L304	L304-P308 VanDerWaalsContact O-CA 3.24Å; L304-P308 WeakPolarHBondContact O-CA 3.19Å
309	N	88.1	Confident	89.3	Confident	153 Å²	153	64.9 Å²	64.9	82%	0.818	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	22.9	-178.1	-159.7	22.7	0	0	0	113.1	E307 P311	E307-N309 PolarHBondContact O-N 2.89Å; N309-P311 VanDerWaalsContact O-CD 3.27Å; N309-P311 WeakPolarHBondContact O-CD 3.36Å
310	N	90.4	Very high	89.1	Confident	25 Å²	25	65.1 Å²	65.1	13%	0.134	35%	0.347	C	S	.	.			trans	-73.4	112.4	177.2	-174.9	-51.4	0	0	0	110.6	E307 A312 A313 M314	E307-N310 HydrophobicContact CB-CB 3.87Å; E307-N310 WeakPolarHBondContact O-CB 3.48Å; E307-N310 PolarHBondContact O-N 3.33Å; E307-N310 VanDerWaalsContact O-N 3.1Å; E307-N310 PolarHBondContact OE2-ND2 3.41Å; N310-A312 VanDerWaalsContact C-N 3.33Å; N310-A312 PolarHBondContact O-N 2.92Å; N310-A312 PolarHBondContact OD1-N 3.28Å; N310-A312 VanDerWaalsContact OD1-N 3.12Å; N310-A313 HydrophobicContact CB-CB 4.04Å; N310-A313 PolarHBondContact O-N 2.68Å; N310-A313 PolarHBondContact OD1-N 3.38Å; N310-M314 WeakPolarHBondContact O-CG 3.45Å; N310-M314 PolarHBondContact O-N 2.89Å
311	P	88.4	Confident	88.7	Confident	109 Å²	109	71 Å²	71	71%	0.708	37%	0.373	S	S	*	.	H	α-helix	trans	-71.9	-26.6	-171.2	29.5	-35.8	0	0	0	113	N309 G315	N309-P311 VanDerWaalsContact O-CD 3.27Å; N309-P311 WeakPolarHBondContact O-CD 3.36Å; P311-G315 PolarHBondContact O-N 2.9Å
312	A	87.1	Confident	88.1	Confident	54 Å²	54	69.6 Å²	69.6	45%	0.446	37%	0.372	S	S	.	.	H	α-helix	trans	-73.1	-41.7	176.8	0	0	0	0	0	110.9	L281 N310 L316	L281-A312 HydrophobicContact CD1-CB 4.47Å; L281-A312 HydrophobicContact CD2-CB 3.92Å; N310-A312 VanDerWaalsContact C-N 3.33Å; N310-A312 PolarHBondContact O-N 2.92Å; N310-A312 PolarHBondContact OD1-N 3.28Å; N310-A312 VanDerWaalsContact OD1-N 3.12Å; A312-L316 WeakPolarHBondContact O-CB 3.45Å; A312-L316 PolarHBondContact O-N 3.14Å
313	A	88.7	Confident	87.3	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-66.8	-45.1	175.5	0	0	0	0	0	111.9	L281 L300 V303 L304 N310 L316 I317	L281-A313 HydrophobicContact CD1-CB 4.13Å; L300-A313 HydrophobicContact CD2-CB 3.77Å; V303-A313 HydrophobicContact CG1-CB 3.84Å; L304-A313 HydrophobicContact CD2-CB 3.73Å; L304-A313 HydrophobicContact CG-CB 3.94Å; N310-A313 HydrophobicContact CB-CB 4.04Å; N310-A313 PolarHBondContact O-N 2.68Å; N310-A313 PolarHBondContact OD1-N 3.38Å; A313-L316 PolarHBondContact O-N 2.86Å; A313-I317 PolarHBondContact O-N 3.43Å
314	M	89.9	Confident	85.7	Confident	88 Å²	88	71.2 Å²	71.2	43%	0.433	39%	0.39	S	S	.	.	H	α-helix	trans	-61.7	-43.1	174.5	-72.9	-61.9	-76.7	0	0	112.2	L304 N310 L316 I317 C318	L304-M314 HydrophobicContact CD1-SD 3.86Å; L304-M314 HydrophobicContact CD2-CG 3.75Å; L304-M314 HydrophobicContact CD2-SD 3.69Å; L304-M314 HydrophobicContact CG-SD 4.45Å; N310-M314 WeakPolarHBondContact O-CG 3.45Å; N310-M314 PolarHBondContact O-N 2.89Å; M314-L316 PolarHBondContact O-N 3.34Å; M314-I317 WeakPolarHBondContact O-CG2 3.41Å; M314-C318 PolarHBondContact O-N 3.29Å; M314-C318 VanDerWaalsContact O-N 3.13Å; M314-C318 PolarHBondContact O-SG 3.09Å
315	G	89.4	Confident	83.8	Confident	33 Å²	33	78.6 Å²	78.6	34%	0.34	42%	0.422	S	S	.	.	H	α-helix	trans	-62.4	-41.1	176.3	0	0	0	0	0	113.2	P311 R319	P311-G315 PolarHBondContact O-N 2.9Å; G315-R319 WeakPolarHBondContact O-CG 3.31Å; G315-R319 PolarHBondContact O-N 3.4Å
316	L	89.6	Confident	81.9	Confident	14 Å²	14	80 Å²	80	7%	0.073	42%	0.42	C	S	.	.	H	α-helix	trans	-73.8	-39.1	180	-167.9	60.3	0	0	0	112.4	A284 Y288 L300 A312 A313 M314 C318 R319 I320	A284-L316 HydrophobicContact CB-CD2 4.29Å; Y288-L316 HydrophobicContact CD1-CD1 4.01Å; Y288-L316 HydrophobicContact CD2-CD1 3.96Å; Y288-L316 HydrophobicContact CE1-CD1 4.41Å; Y288-L316 HydrophobicContact CE2-CD1 4.34Å; Y288-L316 HydrophobicContact CG-CD1 3.78Å; L300-L316 HydrophobicContact CD1-CB 3.97Å; L300-L316 HydrophobicContact CD1-CD2 3.97Å; L300-L316 HydrophobicContact CD1-CG 3.85Å; L300-L316 HydrophobicContact CD2-CB 4.29Å; L300-L316 HydrophobicContact CD2-CD2 4.3Å; A312-L316 WeakPolarHBondContact O-CB 3.45Å; A312-L316 PolarHBondContact O-N 3.14Å; A313-L316 PolarHBondContact O-N 2.86Å; M314-L316 PolarHBondContact O-N 3.34Å; L316-C318 VanDerWaalsContact C-N 3.33Å; L316-C318 PolarHBondContact O-N 2.93Å; L316-R319 PolarHBondContact O-N 3.31Å; L316-I320 HydrophobicContact CG-CD1 4.28Å; L316-I320 WeakPolarHBondContact O-CG1 3.48Å; L316-I320 PolarHBondContact O-N 2.93Å
317	I	90.3	Very high	80	Confident	17 Å²	17	78.2 Å²	78.2	9%	0.087	43%	0.427	C	S	.	.	H	α-helix	trans	-70	-29.8	178.9	-154.9	170.7	0	0	0	112.3	L300 L304 A313 M314 K321	L300-I317 HydrophobicContact CB-CB 4.39Å; L300-I317 HydrophobicContact CB-CD1 4.14Å; L300-I317 HydrophobicContact CB-CG1 4.43Å; L300-I317 HydrophobicContact CD1-CB 4.01Å; L300-I317 HydrophobicContact CD1-CG1 4.41Å; L304-I317 HydrophobicContact CD1-CD1 4.12Å; L304-I317 HydrophobicContact CD1-CG2 4.07Å; A313-I317 PolarHBondContact O-N 3.43Å; M314-I317 WeakPolarHBondContact O-CG2 3.41Å; I317-K321 WeakPolarHBondContact O-CG 2.95Å; I317-K321 PolarHBondContact O-N 3.26Å; I317-K321 VanDerWaalsContact O-N 3.14Å
318	C	87.5	Confident	77.5	Confident	56 Å²	56	81.2 Å²	81.2	38%	0.378	45%	0.446	S	S	.	.	H	α-helix	trans	-65.6	-47.8	169.8	-76.3	0	0	0	0	111.8	M314 L316 I320 K321 E322	M314-C318 PolarHBondContact O-N 3.29Å; M314-C318 VanDerWaalsContact O-N 3.13Å; M314-C318 PolarHBondContact O-SG 3.09Å; L316-C318 VanDerWaalsContact C-N 3.33Å; L316-C318 PolarHBondContact O-N 2.93Å; C318-I320 VanDerWaalsContact C-N 3.29Å; C318-I320 PolarHBondContact O-N 3.11Å; C318-K321 WeakPolarHBondContact O-CB 3.44Å; C318-K321 PolarHBondContact O-N 3.44Å; C318-K321 VanDerWaalsContact O-N 3.08Å; C318-E322 WeakPolarHBondContact O-CG 3.48Å; C318-E322 PolarHBondContact O-N 2.65Å
319	R	87.4	Confident	75.2	Confident	144 Å²	144	80.3 Å²	80.3	54%	0.543	46%	0.456	S	S	.	.	H	α-helix	trans	-56.8	-41.5	175.1	-69.4	170.9	-174.2	-176.7	1.6	112.4	Y288 G315 L316 E322 V323	Y288-R319 HydrophobicContact CE2-CB 4.19Å; G315-R319 WeakPolarHBondContact O-CG 3.31Å; G315-R319 PolarHBondContact O-N 3.4Å; L316-R319 PolarHBondContact O-N 3.31Å; R319-E322 PolarHBondContact O-N 2.88Å; R319-V323 WeakPolarHBondContact O-CG2 3.31Å; R319-V323 PolarHBondContact O-N 3.43Å
320	I	87.7	Confident	72.3	Confident	15 Å²	15	79 Å²	79	8%	0.077	45%	0.453	C	S	.	.	H	α-helix	trans	-60.5	-45.2	175.6	-72.7	162.9	0	0	0	111.4	Y288 F293 A296 L300 L316 C318 V323 G324	Y288-I320 HydrophobicContact CD2-CD1 4.33Å; Y288-I320 HydrophobicContact CD2-CG1 3.64Å; Y288-I320 HydrophobicContact CE2-CG1 4.16Å; F293-I320 HydrophobicContact CB-CG2 4.19Å; F293-I320 HydrophobicContact CD1-CG1 4.34Å; A296-I320 HydrophobicContact CB-CD1 3.71Å; L300-I320 HydrophobicContact CD1-CD1 3.5Å; L300-I320 VanDerWaalsContact CD1-CD1 3.5Å; L316-I320 HydrophobicContact CG-CD1 4.28Å; L316-I320 WeakPolarHBondContact O-CG1 3.48Å; L316-I320 PolarHBondContact O-N 2.93Å; C318-I320 VanDerWaalsContact C-N 3.29Å; C318-I320 PolarHBondContact O-N 3.11Å; I320-V323 PolarHBondContact O-N 3Å; I320-G324 PolarHBondContact O-N 3.26Å
321	K	83.5	Confident	69.5	Low	123 Å²	123	87.2 Å²	87.2	54%	0.535	49%	0.488	S	S	.	.	H	α-helix	trans	-62.2	-44.6	176.1	-70.8	169	-179.4	178.7	0	111.7	I317 C318 V323 G324 F325	I317-K321 WeakPolarHBondContact O-CG 2.95Å; I317-K321 PolarHBondContact O-N 3.26Å; I317-K321 VanDerWaalsContact O-N 3.14Å; C318-K321 WeakPolarHBondContact O-CB 3.44Å; C318-K321 PolarHBondContact O-N 3.44Å; C318-K321 VanDerWaalsContact O-N 3.08Å; K321-V323 VanDerWaalsContact C-N 3.25Å; K321-V323 PolarHBondContact O-N 3.35Å; K321-G324 PolarHBondContact O-N 3.32Å; K321-F325 VanDerWaalsContact O-CD2 3.31Å; K321-F325 WeakPolarHBondContact O-CD2 3.33Å; K321-F325 PolarHBondContact O-N 3.15Å
322	E	78.5	Confident	66.5	Low	106 Å²	106	89.9 Å²	89.9	50%	0.495	50%	0.495	S	S	.	.	H	α-helix	trans	-63.7	-26.5	177.2	-69.7	173.5	-144.6	0	0	113.8	C318 R319 R326	C318-E322 WeakPolarHBondContact O-CG 3.48Å; C318-E322 PolarHBondContact O-N 2.65Å; R319-E322 PolarHBondContact O-N 2.88Å; E322-R326 VanDerWaalsContact O-CZ 3.28Å; E322-R326 PolarHBondContact O-NE 3.19Å; E322-R326 PolarHBondContact O-NH2 3.15Å; E322-R326 IonicContact OE2-NH2 2.76Å
323	V	73.6	Confident	63.8	Low	49 Å²	49	92.7 Å²	92.7	30%	0.297	51%	0.509	S	S	.	.	H	α-helix	trans	-77.1	-46.3	171	172.5	0	0	0	0	110.1	F293 R319 I320 K321 F325 R326 G327	F293-V323 HydrophobicContact CD2-CG1 4.41Å; F293-V323 HydrophobicContact CE1-CG1 4.38Å; F293-V323 HydrophobicContact CE2-CG1 3.83Å; F293-V323 HydrophobicContact CZ-CG1 3.82Å; R319-V323 WeakPolarHBondContact O-CG2 3.31Å; R319-V323 PolarHBondContact O-N 3.43Å; I320-V323 PolarHBondContact O-N 3Å; K321-V323 VanDerWaalsContact C-N 3.25Å; K321-V323 PolarHBondContact O-N 3.35Å; V323-F325 PolarHBondContact O-N 3.31Å; V323-R326 PolarHBondContact O-N 3.15Å; V323-G327 PolarHBondContact O-N 2.96Å
324	G	58.4	Low	61.1	Low	44 Å²	44	102.2 Å²	102.2	45%	0.454	55%	0.553	S	S	.	*	H	α-helix	trans	-56.7	-43.3	177.9	0	0	0	0	0	113.8	I320 K321 R326 G327 N328	I320-G324 PolarHBondContact O-N 3.26Å; K321-G324 PolarHBondContact O-N 3.32Å; G324-R326 PolarHBondContact O-N 3.36Å; G324-R326 VanDerWaalsContact O-N 3.15Å; G324-G327 PolarHBondContact O-N 3.1Å; G324-G327 VanDerWaalsContact O-N 3.1Å; G324-N328 PolarHBondContact O-N 2.79Å
325	F	51.6	Low	58.1	Low	184 Å²	184	103.3 Å²	103.3	81%	0.807	57%	0.57	S	S	*	*	H	α-helix	trans	-65.3	-11.7	176	-86.2	-67.2	0	0	0	114.9	K321 V323	K321-F325 VanDerWaalsContact O-CD2 3.31Å; K321-F325 WeakPolarHBondContact O-CD2 3.33Å; K321-F325 PolarHBondContact O-N 3.15Å; V323-F325 PolarHBondContact O-N 3.31Å
326	R	48.4	Very low	55.1	Low	191 Å²	191	107.1 Å²	107.1	72%	0.721	59%	0.591	S	S	*	*	H	α-helix	trans	-101.9	-12.5	173.1	-79.7	175.8	-76.4	-149.1	-2.1	113.7	E322 V323 G324	E322-R326 VanDerWaalsContact O-CZ 3.28Å; E322-R326 PolarHBondContact O-NE 3.19Å; E322-R326 PolarHBondContact O-NH2 3.15Å; E322-R326 IonicContact OE2-NH2 2.76Å; V323-R326 PolarHBondContact O-N 3.15Å; G324-R326 PolarHBondContact O-N 3.36Å; G324-R326 VanDerWaalsContact O-N 3.15Å
327	G	45.8	Very low	52.1	Low	58 Å²	58	112.6 Å²	112.6	60%	0.598	63%	0.626	S	S	*	*	H	α-helix	trans	-93	-42.5	179.5	0	0	0	0	0	114.4	V323 G324	V323-G327 PolarHBondContact O-N 2.96Å; G324-G327 PolarHBondContact O-N 3.1Å; G324-G327 VanDerWaalsContact O-N 3.1Å
328	N	36.6	Very low	48.9	Very low	138 Å²	138	118.3 Å²	118.3	74%	0.738	66%	0.661	S	S	*	*			trans	-110.6	101	-168.4	-76.9	7.4	0	0	0	113.6	G324 V330	G324-N328 PolarHBondContact O-N 2.79Å; N328-V330 PolarHBondContact O-N 3.16Å
329	G	37.2	Very low	45.9	Very low	86 Å²	86	126.2 Å²	126.2	89%	0.887	68%	0.683	S	S	*	*			trans	-82.4	44	165.2	0	0	0	0	0	113.9
330	V	28.8	Very low	43	Very low	125 Å²	125	125.4 Å²	125.4	76%	0.758	69%	0.693	S	S	*	*			trans	-137.7	132.4	-176.7	-175.3	0	0	0	0	111.6	N328	N328-V330 PolarHBondContact O-N 3.16Å
331	F	31.5	Very low	40.1	Very low	197 Å²	197	132.9 Å²	132.9	86%	0.864	73%	0.728	S	S	*	*			trans	-67.4	142.9	173.7	-106.1	-105.1	0	0	0	112.8
332	L	25.3	Very low	37.4	Very low	166 Å²	166	134.7 Å²	134.7	87%	0.869	74%	0.742	S	S	*	*			trans	-151.6	158.4	145.2	-94.3	-179.7	0	0	0	108.5
333	P	30.3	Very low	34.9	Very low	113 Å²	113	133 Å²	133	73%	0.734	75%	0.753	S	S	*	*			trans	-90.1	167.5	-145.6	34.6	-39.3	0	0	0	116.9
334	E	31.9	Very low	32.6	Very low	199 Å²	199	140.4 Å²	140.4	93%	0.93	78%	0.782	S	S	*	*			trans	-67.9	139.3	171.6	-57.9	-175.9	122.8	0	0	112.9
335	S	26	Very low	30.9	Very low	112 Å²	112	143.4 Å²	143.4	78%	0.783	80%	0.796	S	S	*	*			trans	-160.4	154.3	148.9	-168.5	0	0	0	0	111.3
336	S	27.4	Very low	29.6	Very low	113 Å²	113	144.7 Å²	144.7	79%	0.79	80%	0.802	S	S	*	*			trans	53.5	82.9	171.1	50.2	0	0	0	0	116.8
337	T	26.5	Very low	28.4	Very low	129 Å²	129	140.8 Å²	140.8	79%	0.791	80%	0.804	S	S	*	*			trans	-53.1	147.3	163.4	50.4	0	0	0	0	114.7
338	V	23.7	Very low	27.3	Very low	136 Å²	136	146.6 Å²	146.6	82%	0.824	81%	0.813	S	S	*	*			trans	-128.7	117.5	136	-179.6	0	0	0	0	108.2	V340	V338-V340 HydrophobicContact CG1-CG2 4.32Å
339	R	24.5	Very low	26.7	Very low	223 Å²	223	146.4 Å²	146.4	84%	0.842	82%	0.816	S	S	*	*			trans	-79.2	122.4	168.6	-82.2	-178.1	171.7	176.7	-2.2	109.1
340	V	26.2	Very low	26	Very low	126 Å²	126	149.5 Å²	149.5	76%	0.764	81%	0.807	S	S	*	*			trans	-121.8	130.2	153.9	-179.2	0	0	0	0	107.2	V338	V338-V340 HydrophobicContact CG1-CG2 4.32Å
341	Q	26.8	Very low	25.9	Very low	173 Å²	173	149.2 Å²	149.2	81%	0.808	81%	0.808	S	S	*	*			trans	-111.9	91.3	-159.6	-174.5	168.7	-25.3	0	0	110.7
342	L	26.4	Very low	25.6	Very low	160 Å²	160	145.4 Å²	145.4	84%	0.838	81%	0.806	S	S	*	*			trans	-121.5	102.3	171.6	-82.9	166.2	0	0	0	109
343	G	25.6	Very low	25.5	Very low	70 Å²	70	146.2 Å²	146.2	72%	0.722	81%	0.806	S	S	*	*			trans	-89.8	125.5	179.1	0	0	0	0	0	111.7
344	F	26.2	Very low	25.7	Very low	205 Å²	205	146.4 Å²	146.4	90%	0.899	81%	0.806	S	S	*	*			trans	-133.2	126.3	155.1	-91	-77.9	0	0	0	109.3
345	S	21.5	Very low	25.4	Very low	107 Å²	107	144.1 Å²	144.1	75%	0.748	81%	0.806	S	S	*	*			trans	-87.3	132.8	-179.7	52.3	0	0	0	0	111.2
346	F	24.3	Very low	25.3	Very low	211 Å²	211	142.1 Å²	142.1	93%	0.925	80%	0.803	S	S	*	*			trans	-136.3	141.3	154.5	-105.8	-81.2	0	0	0	111.2
347	S	23.8	Very low	25.1	Very low	110 Å²	110	139.6 Å²	139.6	77%	0.769	80%	0.795	S	S	*	*			trans	-80.7	133.3	-160.8	-52.1	0	0	0	0	113.3	V349	S347-V349 PolarHBondContact O-N 2.99Å
348	K	22.3	Very low	25	Very low	180 Å²	180	142.4 Å²	142.4	78%	0.783	80%	0.799	S	S	*	*			trans	-81.4	107.2	172.3	-174.7	-176.2	-177.6	-174.2	0	109.9
349	V	23.8	Very low	25	Very low	134 Å²	134	143.7 Å²	143.7	81%	0.812	80%	0.796	S	S	*	*			trans	-89.2	126.6	168.3	-179	0	0	0	0	108.7	S347	S347-V349 PolarHBondContact O-N 2.99Å
350	Q	23.9	Very low	25.1	Very low	150 Å²	150	137.7 Å²	137.7	70%	0.701	79%	0.788	S	S	*	*			trans	-107.3	153.8	166.6	-95.9	-176.2	-56.2	0	0	110.1
351	P	25.9	Very low	25	Very low	120 Å²	120	136.4 Å²	136.4	78%	0.779	79%	0.785	S	S	*	*			trans	-78.7	144.4	-172.7	32.1	-35.6	0	0	0	112.7
352	S	24.8	Very low	24.9	Very low	117 Å²	117	132.8 Å²	132.8	82%	0.818	79%	0.785	S	S	*	*			trans	-88.1	134.7	168.6	51	0	0	0	0	111.4
353	Q	24.9	Very low	24.6	Very low	183 Å²	183	129.5 Å²	129.5	86%	0.855	78%	0.78	S	S	*	*			trans	-96.7	-160.8	165.9	-53.5	-172.2	-68.7	0	0	110.3
354	P	34.3	Very low	25.2	Very low	116 Å²	116	131.9 Å²	131.9	75%	0.753	78%	0.783	S	S	*	*				-129.8	171.8	-110.4	37.8	-17.4	0	0	0	115.7
355	V	24.4	Very low	25.1	Very low	151 Å²	151	126.4 Å²	126.4	92%	0.915	78%	0.776	S	S	*	*			trans	-148.5	141.3	164.2	-171.5	0	0	0	0	106.3
356	G	23.7	Very low	25.3	Very low	71 Å²	71	130 Å²	130	73%	0.732	78%	0.781	S	S	*	*			cis	155.9	125.5	-5.6	0	0	0	0	0	110.8
357	G	23.8	Very low	25.2	Very low	59 Å²	59	131.5 Å²	131.5	61%	0.608	78%	0.78	S	S	*	*			trans	73.2	153.7	173.5	0	0	0	0	0	117.2
358	E	24.1	Very low	25.3	Very low	189 Å²	189	130.2 Å²	130.2	88%	0.883	78%	0.784	S	S	*	*			cis	-163.7	156.7	-10.6	-116.3	93.3	-118	0	0	106
359	E	24.2	Very low	25.4	Very low	163 Å²	163	128.6 Å²	128.6	76%	0.762	78%	0.784	S	S	*	*			cis	-135.2	-132.3	-4.6	-161.4	-134.3	129.8	0	0	105.8	S361	E359-S361 PolarHBondContact OE1-N 3.05Å
360	S	25.6	Very low	25.4	Very low	97 Å²	97	130.5 Å²	130.5	68%	0.678	79%	0.786	S	S	*	*			cis	-150.7	171.1	-6	70	0	0	0	0	116.2
361	S	24.1	Very low	25.4	Very low	99 Å²	99	126.7 Å²	126.7	69%	0.692	79%	0.787	S	S	*	*			trans	-57.6	163.1	172.9	74.5	0	0	0	0	116.3	E359	E359-S361 PolarHBondContact OE1-N 3.05Å
362	A	24.9	Very low	25.3	Very low	97 Å²	97	128.6 Å²	128.6	80%	0.802	79%	0.791	S	S	*	*			cis	-157.7	178.8	11	0	0	0	0	0	113.2
363	A	21.4	Very low	25.3	Very low	91 Å²	91	126.9 Å²	126.9	75%	0.752	78%	0.784	S	S	*	*			trans	-111.2	-172.4	164.9	0	0	0	0	0	109.3
364	P	37.6	Very low	25.3	Very low	120 Å²	120	125.3 Å²	125.3	78%	0.779	78%	0.777	S	S	*	*			cis	-147.4	176.3	7.1	45.9	-26.8	0	0	0	119
365	A	23.5	Very low	24.9	Very low	90 Å²	90	128.5 Å²	128.5	74%	0.744	78%	0.779	S	S	*	*			trans	72.1	169	137.8	0	0	0	0	0	124
366	E	25.1	Very low	25	Very low	182 Å²	182	128.7 Å²	128.7	85%	0.85	77%	0.767	S	S	*	*			trans	98.7	149.8	161.4	-68.3	-86.8	87.9	0	0	120.2
367	R	22.9	Very low	25.3	Very low	243 Å²	243	131.5 Å²	131.5	92%	0.917	77%	0.773	S	S	*	*			trans	-95.5	160.6	-163.2	-61.5	163.7	167.9	172.9	-5.2	112.7
368	G	25.5	Very low	25.2	Very low	82 Å²	82	136 Å²	136	85%	0.845	78%	0.777	S	S	*	*			trans	-155.7	141.8	162.4	0	0	0	0	0	110.7
369	D	24.3	Very low	25.3	Very low	146 Å²	146	132.7 Å²	132.7	78%	0.781	78%	0.775	S	S	*	*			trans	-140.2	160.9	-171.1	-168.3	8.9	0	0	0	110.8
370	M	23.6	Very low	25.3	Very low	174 Å²	174	136.9 Å²	136.9	86%	0.857	78%	0.784	S	S	*	*			trans	67.5	154.5	178.3	-41.1	-175.7	-160.3	0	0	115.5
371	G	24	Very low	25.2	Very low	71 Å²	71	135.8 Å²	135.8	73%	0.732	79%	0.788	S	S	*	*			cis	175.7	140.5	-10.6	0	0	0	0	0	114.4
372	N	24.1	Very low	25.2	Very low	159 Å²	159	139.5 Å²	139.5	85%	0.85	80%	0.801	S	S	*	*			trans	31.3	120.4	146.4	-171.7	25.7	0	0	0	121.5
373	A	25	Very low	25.2	Very low	82 Å²	82	138 Å²	138	68%	0.678	79%	0.794	S	S	*	*				176.9	121.4	120.5	0	0	0	0	0	117.9
374	Q	25.3	Very low	25.2	Very low	150 Å²	150	137.2 Å²	137.2	70%	0.701	80%	0.795	S	S	*	*			trans	67.5	135.3	131.3	-65.6	-166.3	9.7	0	0	126.1
375	K	26	Very low	25.2	Very low	182 Å²	182	136.3 Å²	136.3	79%	0.791	79%	0.789	S	S	*	*			trans	93.6	121.7	137.9	-81	159.6	178.7	154.3	0	121.8
376	K	25.6	Very low	25.3	Very low	156 Å²	156	140.1 Å²	140.1	68%	0.678	79%	0.791	S	S	*	*			trans	-77.2	174.8	154.8	-58.9	177.1	169.6	-178.5	0	110.7	H378	K376-H378 PolarHBondContact NZ-NE2 2.88Å
377	P	29.7	Very low	25.3	Very low	130 Å²	130	137 Å²	137	84%	0.844	79%	0.785	S	S	*	*				-134.1	-176	93.7	35.2	-22.7	0	0	0	114.8
378	H	23.6	Very low	25.3	Very low	153 Å²	153	132 Å²	132	71%	0.708	78%	0.776	S	S	*	*			trans	-111.5	156.8	178.5	-72.3	-73.5	0	0	0	111.7	K376	K376-H378 PolarHBondContact NZ-NE2 2.88Å
379	S	24.4	Very low	25.2	Very low	120 Å²	120	133.5 Å²	133.5	84%	0.839	77%	0.769	S	S	*	*			trans	-143.9	172.3	153.8	60.4	0	0	0	0	110.4
380	R	25.7	Very low	25.2	Very low	250 Å²	250	131.9 Å²	131.9	94%	0.943	77%	0.77	S	S	*	*			trans	-139.1	150.9	-169.4	-90.1	179.4	162.8	-176.3	-5.1	111.5
381	G	23.2	Very low	25.3	Very low	75 Å²	75	130.3 Å²	130.3	77%	0.773	77%	0.765	S	S	*	*			trans	76.7	167.1	156	0	0	0	0	0	115.8
382	D	23.4	Very low	25.4	Very low	177 Å²	177	132.6 Å²	132.6	95%	0.947	77%	0.769	S	S	*	*			cis	-160	165.4	-13.7	-150.5	-23.5	0	0	0	109.2
383	G	24.4	Very low	25.5	Very low	65 Å²	65	132.4 Å²	132.4	67%	0.67	76%	0.763	S	S	*	*			trans	121.2	118.5	165.5	0	0	0	0	0	117.7
384	G	21.6	Very low	25.5	Very low	74 Å²	74	137.8 Å²	137.8	76%	0.763	77%	0.774	S	S	*	*			trans	-95.4	-144.9	145.3	0	0	0	0	0	109.8
385	P	39.1	Very low	25.5	Very low	102 Å²	102	134.4 Å²	134.4	66%	0.662	78%	0.779	S	S	*	*			cis	-141.9	-179.3	3.4	43.1	-25.5	0	0	0	116.4
386	H	24.9	Very low	25.6	Very low	169 Å²	169	131 Å²	131	78%	0.782	78%	0.776	S	S	*	*			trans	68.1	147.7	158	-59.4	-41.5	0	0	0	117.5
387	T	25.1	Very low	25.5	Very low	118 Å²	118	135.4 Å²	135.4	72%	0.724	79%	0.789	S	S	*	*			cis	-166.1	166.3	-0.3	9.5	0	0	0	0	108.4
388	D	23.5	Very low	25.3	Very low	136 Å²	136	140.9 Å²	140.9	73%	0.727	79%	0.792	S	S	*	*			cis	-162.9	-176.7	-13.7	-146.1	-31.8	0	0	0	110.9
389	T	23.4	Very low	25.4	Very low	115 Å²	115	136.7 Å²	136.7	71%	0.706	79%	0.79	S	S	*	*			trans	66.1	114.4	155.2	49.3	0	0	0	0	122.8
390	S	24.6	Very low	25.5	Very low	112 Å²	112	141.2 Å²	141.2	78%	0.783	80%	0.795	S	S	*	*				109.6	97.2	125.8	74.5	0	0	0	0	120.5
391	N	24.4	Very low	25.5	Very low	141 Å²	141	132.4 Å²	132.4	75%	0.754	78%	0.781	S	S	*	*			trans	32.9	114.3	141.2	-75.7	-10.9	0	0	0	121.6
392	S	26.2	Very low	25.6	Very low	119 Å²	119	132.9 Å²	132.9	83%	0.832	79%	0.786	S	S	*	*				-135.8	161.1	113.4	60.4	0	0	0	0	109.6
393	H	26	Very low	25.6	Very low	154 Å²	154	130.6 Å²	130.6	71%	0.713	78%	0.779	S	S	*	*			trans	-110.4	115.5	-169.5	-80.4	8.1	0	0	0	113.4
394	H	24.8	Very low	25.6	Very low	195 Å²	195	133 Å²	133	90%	0.903	79%	0.785	S	S	*	*			trans	-141.2	117.5	150.7	-85	-75.6	0	0	0	109.4
395	G	25	Very low	25.8	Very low	80 Å²	80	136.7 Å²	136.7	83%	0.825	79%	0.788	S	S	*	*			trans	-114.6	116.6	-173	0	0	0	0	0	113
396	P	28.5	Very low	25.1	Very low	111 Å²	111	140.8 Å²	140.8	72%	0.721	80%	0.795	S	S	*	*			trans	-83.7	145.8	175.3	-8.6	26.2	0	0	0	113.2
397	W	23.9	Very low	25	Very low	248 Å²	248	144 Å²	144	94%	0.939	80%	0.802	S	S	*	*			trans	33.6	105.2	152.8	-60.4	91.5	0	0	0	119.7
398	R	25.1	Very low	24.8	Very low	245 Å²	245	147.5 Å²	147.5	93%	0.925	81%	0.807	S	S	*	*			trans	-101.7	121.1	150.6	-78.6	-165.3	-178.9	-80.1	1.4	111.3
399	G	26	Very low	24.6	Very low	64 Å²	64	147.2 Å²	147.2	66%	0.66	81%	0.81	S	S	*	*			trans	-93	170.7	150.7	0	0	0	0	0	111.1
400	K	26.2	Very low	24.7	Very low	216 Å²	216	146.9 Å²	146.9	94%	0.939	81%	0.81	S	S	*	*			trans	75.8	147.2	-163	-55.3	178.9	177.3	-179.6	0	112.9
401	G	25.9	Very low	24.6	Very low	64 Å²	64	150.3 Å²	150.3	66%	0.66	81%	0.813	S	S	*	*			cis	159.9	159.8	-1.5	0	0	0	0	0	110.3	T403	G401-T403 PolarHBondContact O-N 3.04Å
402	G	24.9	Very low	24.5	Very low	85 Å²	85	153 Å²	153	88%	0.876	82%	0.821	S	S	*	*			trans	-60	124.3	-176.5	0	0	0	0	0	112.7	S404	G402-S404 PolarHBondContact O-N 3.12Å
403	T	24.6	Very low	24.4	Very low	129 Å²	129	151.7 Å²	151.7	79%	0.791	81%	0.813	S	S	*	*			trans	-80.8	101.9	177.7	43.2	0	0	0	0	110.6	G401 D405	G401-T403 PolarHBondContact O-N 3.04Å; T403-D405 PolarHBondContact O-N 2.93Å
404	S	24.1	Very low	24.3	Very low	115 Å²	115	152.7 Å²	152.7	80%	0.804	82%	0.815	S	S	*	*			trans	-78.8	98.4	165.2	57.7	0	0	0	0	109.4	G402	G402-S404 PolarHBondContact O-N 3.12Å
405	D	25.9	Very low	24.3	Very low	153 Å²	153	150.6 Å²	150.6	82%	0.818	81%	0.805	S	S	*	*			trans	-80.4	150.9	177.2	-111.1	-47.1	0	0	0	113	T403	T403-D405 PolarHBondContact O-N 2.93Å
406	K	24.4	Very low	24.2	Very low	188 Å²	188	154.8 Å²	154.8	82%	0.817	80%	0.801	S	S	*	*			trans	-97.8	129	-168.4	-65	169.4	-177.9	167.2	0	111.8
407	Y	23.1	Very low	24	Very low	237 Å²	237	156.2 Å²	156.2	93%	0.929	81%	0.807	S	S	*	*			trans	-108.4	137.3	146	-95.8	-93.3	0	0	0	109.4
408	K	20.5	Very low	24	Very low	191 Å²	191	148.2 Å²	148.2	83%	0.83	79%	0.794	S	S	*	*			trans	-145.8	109.9	179.4	-174.5	-165.2	175.9	-168	0	110.6
409	V	19.1	Very low	23.9	Very low	130 Å²	130	144.6 Å²	144.6	79%	0.788	79%	0.793	S	S	*	*			trans	-143.8	163	159.9	-119.1	0	0	0	0	106.7
410	P	26.4	Very low	23.8	Very low	107 Å²	107	145 Å²	145	70%	0.695	80%	0.796	S	S	*	*				-112.9	179.9	-105.7	39.3	-30.1	0	0	0	115.3
411	E	21.9	Very low	23.6	Very low	184 Å²	184	140.1 Å²	140.1	86%	0.86	79%	0.79	S	S	*	*			trans	-1.9	136	162.9	-55.6	-176.9	140.8	0	0	119.7
412	E	22.4	Very low	23.5	Very low	197 Å²	197	142 Å²	142	92%	0.921	79%	0.793	S	S	*	*				-148.3	-178.2	106.3	-126.2	-178.3	-154.7	0	0	111.9
413	S	22.7	Very low	23.4	Very low	93 Å²	93	147 Å²	147	65%	0.65	79%	0.79	S	S	*	*			trans	-119	145	-153.5	65.6	0	0	0	0	115.5
414	K	25.9	Very low	23.3	Very low	175 Å²	175	152.7 Å²	152.7	76%	0.761	80%	0.798	S	S	*	*				177.7	134.1	116.5	-96	155.9	-173.1	170.2	0	114.5
415	E	22.9	Very low	23.3	Very low	150 Å²	150	150.5 Å²	150.5	70%	0.701	79%	0.793	S	S	*	*				37.8	147.1	123.9	-62.7	-163.3	115.3	0	0	121.8
416	K	23.6	Very low	23.2	Very low	169 Å²	169	148.4 Å²	148.4	74%	0.735	79%	0.79	S	S	*	*			cis	174.3	168.4	-19.6	-133.2	176.6	-166.6	164.9	0	106.8
417	V	24.8	Very low	23	Very low	141 Å²	141	146.2 Å²	146.2	86%	0.855	79%	0.792	S	S	*	*			trans	69.2	144.5	165.5	-178.8	0	0	0	0	116
418	A	23.6	Very low	23	Very low	79 Å²	79	140 Å²	140	65%	0.653	79%	0.791	S	S	*	*			cis	-164.3	158.9	-35.8	0	0	0	0	0	111.3
419	N	22.9	Very low	23.1	Very low	170 Å²	170	136.6 Å²	136.6	91%	0.909	79%	0.79	S	S	*	*			trans	17.9	141.1	149.4	-62.1	-9.8	0	0	0	123.3
420	G	24.6	Very low	23.3	Very low	71 Å²	71	134.6 Å²	134.6	73%	0.732	79%	0.788	S	S	*	*			trans	128.2	87.6	155.5	0	0	0	0	0	113.6
421	S	21.6	Very low	23.1	Very low	115 Å²	115	139.3 Å²	139.3	80%	0.804	80%	0.801	S	S	*	*			cis	90.4	131.7	45.6	91.5	0	0	0	0	115
422	S	22.7	Very low	23.2	Very low	103 Å²	103	134.4 Å²	134.4	72%	0.72	80%	0.799	S	S	*	*			trans	81.9	117.4	162.4	-69.5	0	0	0	0	122.5
423	K	24.3	Very low	23.2	Very low	189 Å²	189	132.7 Å²	132.7	82%	0.822	80%	0.797	S	S	*	*				79.8	96.3	129.2	-66.8	177.3	180	177.6	0	122.5
424	R	22.4	Very low	23.4	Very low	250 Å²	250	137.7 Å²	137.7	94%	0.943	81%	0.807	S	S	*	*				61.5	106.7	100.7	-163.1	-172.1	-140.4	-144	6.2	120.2
425	G	23	Very low	23.3	Very low	68 Å²	68	133 Å²	133	70%	0.701	81%	0.808	S	S	*	*			trans	87.9	156.2	151.8	0	0	0	0	0	116.2
426	S	23.4	Very low	23.4	Very low	109 Å²	109	132.6 Å²	132.6	76%	0.762	82%	0.816	S	S	*	*			cis	-162.2	159.1	-9.5	-83.8	0	0	0	0	110.4
427	T	22.1	Very low	23.5	Very low	142 Å²	142	131.2 Å²	131.2	87%	0.871	82%	0.822	S	S	*	*			trans	45.5	114.2	153.4	53	0	0	0	0	121
428	A	22.6	Very low	23.5	Very low	108 Å²	108	128.5 Å²	128.5	89%	0.893	82%	0.822	S	S	*	*			trans	-167.8	161.5	131	0	0	0	0	0	111.5
429	S	22.7	Very low	23.5	Very low	118 Å²	118	128.3 Å²	128.3	83%	0.825	83%	0.828	S	S	*	*			trans	-100.3	147.3	-165.5	-55.2	0	0	0	0	115.8
430	A	23.1	Very low	24	Very low	89 Å²	89	129.9 Å²	129.9	74%	0.736	83%	0.829	S	S	*	*			trans	70.6	148.7	139.1	0	0	0	0	0	121.9
431	Q	23.1	Very low	24	Very low	205 Å²	205	135.6 Å²	135.6	96%	0.958	83%	0.834	S	S	*	*			trans	62.8	128	168.5	-62.8	173.4	-10.1	0	0	116.9
432	G	23.2	Very low	24.3	Very low	81 Å²	81	135.5 Å²	135.5	84%	0.835	84%	0.84	S	S	*	*			cis	140.6	109.3	-14	0	0	0	0	0	113.5
433	D	22.8	Very low	24.5	Very low	161 Å²	161	139.4 Å²	139.4	86%	0.861	84%	0.844	S	S	*	*			trans	-153.3	171.7	165.4	-153.5	-6.4	0	0	0	111.9
434	K	25.7	Very low	24.7	Very low	199 Å²	199	138.7 Å²	138.7	87%	0.865	84%	0.844	S	S	*	*			trans	-86.7	143.2	-175.2	-62.8	171.8	-179.7	172.5	0	112.4
435	G	24.5	Very low	25.1	Very low	76 Å²	76	133.2 Å²	133.2	78%	0.784	84%	0.838	S	S	*	*			trans	-152.7	113.8	166.4	0	0	0	0	0	110.4
436	T	24.8	Very low	26	Very low	141 Å²	141	133.2 Å²	133.2	87%	0.865	83%	0.825	S	S	*	*			trans	-99.5	115.6	-174.7	-52.5	0	0	0	0	111
437	T	25	Very low	27.2	Very low	141 Å²	141	134 Å²	134	87%	0.865	82%	0.821	S	S	*	*			trans	-139.4	142.5	158.6	45.2	0	0	0	0	110
438	G	25.5	Very low	28.8	Very low	84 Å²	84	129.9 Å²	129.9	87%	0.866	79%	0.793	S	S	*	*			trans	-82.9	155.9	-174.8	0	0	0	0	0	113.7
439	G	23.8	Very low	30	Very low	74 Å²	74	129.1 Å²	129.1	76%	0.763	77%	0.774	S	S	*	*			trans	177.9	99.7	174.9	0	0	0	0	0	110.7	K441	G439-K441 PolarHBondContact O-N 3.39Å; G439-K441 VanDerWaalsContact O-N 3.16Å
440	E	32.3	Very low	31.2	Very low	203 Å²	203	127 Å²	127	95%	0.949	76%	0.756	S	S	*	*			trans	-67.9	112	-173.3	-65.6	-177.6	118.5	0	0	112.3
441	K	26.6	Very low	32.4	Very low	192 Å²	192	128.7 Å²	128.7	84%	0.835	76%	0.759	S	S	*	*			trans	-136.5	118.4	153.7	-74.9	-169.6	175.5	178.9	0	108.7	G439 K443	G439-K441 PolarHBondContact O-N 3.39Å; G439-K441 VanDerWaalsContact O-N 3.16Å; K441-K443 PolarHBondContact O-N 2.74Å
442	A	26.2	Very low	33.7	Very low	112 Å²	112	121.4 Å²	121.4	93%	0.926	73%	0.73	S	S	*	*			trans	-63.2	96.9	172.5	0	0	0	0	0	109.7
443	K	27.8	Very low	35.3	Very low	186 Å²	186	120.5 Å²	120.5	81%	0.809	72%	0.721	S	S	*	*			trans	-77.8	122.1	165.2	-74.2	-177.8	175.8	178.4	0	107.8	K441 T445	K441-K443 PolarHBondContact O-N 2.74Å; K443-T445 PolarHBondContact O-N 2.94Å; K443-T445 VanDerWaalsContact O-N 3.13Å
444	E	28.5	Very low	37.4	Very low	174 Å²	174	116 Å²	116	81%	0.813	71%	0.706	S	S	*	*			trans	-57.9	117.1	163.3	-66.7	-174.4	131.3	0	0	108.4	V446	E444-V446 HydrophobicContact CB-CG2 4.3Å; E444-V446 PolarHBondContact O-N 3.1Å
445	T	30.9	Very low	39.7	Very low	134 Å²	134	107 Å²	107	82%	0.822	67%	0.667	S	S	*	*			trans	-77	73.5	175.5	37.2	0	0	0	0	109.8	K443 N447	K443-T445 PolarHBondContact O-N 2.94Å; K443-T445 VanDerWaalsContact O-N 3.13Å; T445-N447 PolarHBondContact O-N 2.9Å
446	V	42.5	Very low	42.4	Very low	69 Å²	69	105.6 Å²	105.6	42%	0.418	64%	0.644	S	S	.	*			trans	-61.5	108.2	176.6	-178.6	0	0	0	0	109.3	E444 L448 L468	E444-V446 HydrophobicContact CB-CG2 4.3Å; E444-V446 PolarHBondContact O-N 3.1Å; V446-L448 HydrophobicContact CG1-CD2 4.29Å; V446-L448 PolarHBondContact O-N 3.29Å; V446-L468 HydrophobicContact CG2-CD1 4.33Å
447	N	48.2	Very low	44.9	Very low	126 Å²	126	103.5 Å²	103.5	67%	0.674	63%	0.633	S	S	*	*			trans	-61.8	109	168.3	-96.6	-44.2	0	0	0	109	T445 T450	T445-N447 PolarHBondContact O-N 2.9Å; N447-T450 PolarHBondContact O-OG1 3Å
448	L	54.5	Low	47.7	Very low	55 Å²	55	102.5 Å²	102.5	29%	0.288	62%	0.618	S	S	.	*	S	Bend	trans	-83	-21.8	177.6	-68.4	172.6	0	0	0	112.5	V446 R461 N464 E465	V446-L448 HydrophobicContact CG1-CD2 4.29Å; V446-L448 PolarHBondContact O-N 3.29Å; L448-R461 HydrophobicContact CB-CG 4.33Å; L448-N464 HydrophobicContact CD2-CB 4.43Å; L448-N464 PolarHBondContact O-ND2 2.76Å; L448-E465 HydrophobicContact CD2-CG 4.39Å
449	D	47.7	Very low	50.5	Low	92 Å²	92	98.9 Å²	98.9	49%	0.492	58%	0.579	S	S	.	*			trans	-94.2	13.5	-172.1	-61.9	-46.9	0	0	0	114.2	P451 R461	D449-P451 WeakPolarHBondContact O-CD 3.18Å; D449-R461 IonicContact OD1-CZ 2.69Å; D449-R461 IonicContact OD1-NE 3.91Å; D449-R461 PolarHBondContact OD1-NE 3.26Å; D449-R461 IonicContact OD1-NH2 2.81Å; D449-R461 PolarHBondContact OD1-NH2 2.8Å; D449-R461 IonicContact OD2-NH2 2.67Å
450	T	48.6	Very low	53.4	Low	74 Å²	74	95.6 Å²	95.6	45%	0.454	54%	0.544	S	S	.	.			trans	-61.2	123.4	175.8	5.9	0	0	0	0	111	N447	N447-T450 PolarHBondContact O-OG1 3Å
451	P	49	Very low	55.9	Low	123 Å²	123	90.3 Å²	90.3	80%	0.799	52%	0.516	S	S	*	.			trans	-57.5	138.6	173.1	-24.1	34.6	0	0	0	111	D449	D449-P451 WeakPolarHBondContact O-CD 3.18Å
452	C	49	Very low	59	Low	53 Å²	53	81.9 Å²	81.9	36%	0.358	48%	0.48	S	S	.	.			trans	-155.9	92.5	-172.7	-174	0	0	0	0	110.2	K463	C452-K463 PolarHBondContact O-NZ 3.11Å; C452-K463 VanDerWaalsContact SG-CE 3.58Å; C452-K463 PolarHBondContact SG-NZ 3.19Å; C452-K463 VanDerWaalsContact SG-NZ 3.41Å
453	G	58.4	Low	62	Low	61 Å²	61	76.7 Å²	76.7	63%	0.629	44%	0.436	S	S	*	.	S	Bend	trans	83.4	-165.2	-170.9	0	0	0	0	0	112.8	L455 D499	G453-L455 VanDerWaalsContact C-N 3.26Å; G453-D499 WeakPolarHBondContact CA-OD2 3.32Å
454	A	66.3	Low	64.9	Low	66 Å²	66	69 Å²	69	55%	0.545	40%	0.404	S	S	.	.	S	Bend	trans	-82.7	-1.3	175	0	0	0	0	0	113	M494 D499	A454-M494 VanDerWaalsContact O-CE 3.3Å; A454-M494 WeakPolarHBondContact O-CE 3.49Å; A454-D499 PolarHBondContact N-OD2 3.17Å
455	L	74.6	Confident	67.8	Low	12 Å²	12	63 Å²	63	6%	0.063	38%	0.376	C	S	.	.			trans	-57.2	136.8	-179.9	-76.2	167.2	0	0	0	113.2	G453 L459 K463 Y489 D499 L503	G453-L455 VanDerWaalsContact C-N 3.26Å; L455-L459 HydrophobicContact CB-CB 4.42Å; L455-L459 HydrophobicContact CD2-CB 3.93Å; L455-L459 HydrophobicContact CD2-CD1 4.01Å; L455-K463 HydrophobicContact CD1-CD 3.95Å; L455-K463 VanDerWaalsContact CD1-CE 3.45Å; L455-Y489 HydrophobicContact CD2-CD2 3.73Å; L455-Y489 HydrophobicContact CD2-CE2 4.37Å; L455-D499 HydrophobicContact CD1-CB 4.03Å; L455-D499 VanDerWaalsContact CD1-OD1 3.29Å; L455-D499 WeakPolarHBondContact CD1-OD1 3.3Å; L455-D499 HydrophobicContact CD2-CB 4.17Å; L455-D499 HydrophobicContact CG-CB 3.77Å; L455-D499 WeakPolarHBondContact CG-OD1 3.24Å; L455-L503 HydrophobicContact CD2-CD1 4.43Å
456	P	79.7	Confident	70.8	Confident	45 Å²	45	56.7 Å²	56.7	29%	0.292	34%	0.337	S	S	.	.			trans	-55.8	148.5	169.9	-25.4	34.3	0	0	0	112.3	H458 L459 S460 M494	P456-H458 PolarHBondContact O-N 3.02Å; P456-L459 HydrophobicContact CG-CD1 4.5Å; P456-L459 PolarHBondContact O-N 2.99Å; P456-S460 PolarHBondContact O-N 2.96Å; P456-M494 HydrophobicContact CG-CE 4.48Å; P456-M494 HydrophobicContact CG-SD 4.24Å
457	P	78.8	Confident	73.2	Confident	97 Å²	97	55.9 Å²	55.9	63%	0.63	33%	0.33	S	S	*	.	H	α-helix	trans	-53.6	-27.7	-176.2	-30.4	36.3	0	0	0	115.7	S460 R461	P457-S460 WeakPolarHBondContact CA-OG 3.42Å; P457-S460 PolarHBondContact O-OG 3.23Å; P457-S460 VanDerWaalsContact O-OG 3.1Å; P457-R461 WeakPolarHBondContact O-CB 3.31Å; P457-R461 PolarHBondContact O-N 3.13Å; P457-R461 VanDerWaalsContact O-N 3.15Å
458	H	82.1	Confident	75.2	Confident	121 Å²	121	52.5 Å²	52.5	56%	0.56	31%	0.312	S	S	*	.	H	α-helix	trans	-69.3	-42.4	174.5	-175.7	-102	0	0	0	112.5	P456 L462	P456-H458 PolarHBondContact O-N 3.02Å; H458-L462 PolarHBondContact O-N 2.78Å; H458-L462 VanDerWaalsContact O-N 3.17Å
459	L	84.9	Confident	77	Confident	8 Å²	8	51.4 Å²	51.4	4%	0.042	31%	0.306	C	S	.	.	H	α-helix	trans	-78.6	-33.5	-179	-55	-172.4	0	0	0	111.8	L455 P456 R461 L462 K463	L455-L459 HydrophobicContact CB-CB 4.42Å; L455-L459 HydrophobicContact CD2-CB 3.93Å; L455-L459 HydrophobicContact CD2-CD1 4.01Å; P456-L459 HydrophobicContact CG-CD1 4.5Å; P456-L459 PolarHBondContact O-N 2.99Å; L459-R461 VanDerWaalsContact C-N 3.33Å; L459-L462 HydrophobicContact CD2-CD1 4.3Å; L459-L462 PolarHBondContact O-N 3.22Å; L459-K463 WeakPolarHBondContact O-CB 3.47Å; L459-K463 PolarHBondContact O-N 3.18Å
460	S	84.2	Confident	79.2	Confident	4 Å²	4	49.8 Å²	49.8	3%	0.028	30%	0.295	C	S	.	.	H	α-helix	trans	-64	-38.6	170.7	66.6	0	0	0	0	111.4	P456 P457 K463 N464	P456-S460 PolarHBondContact O-N 2.96Å; P457-S460 WeakPolarHBondContact CA-OG 3.42Å; P457-S460 PolarHBondContact O-OG 3.23Å; P457-S460 VanDerWaalsContact O-OG 3.1Å; S460-K463 WeakPolarHBondContact O-CB 3.42Å; S460-K463 PolarHBondContact O-N 3.26Å; S460-N464 WeakPolarHBondContact O-CB 3.45Å; S460-N464 PolarHBondContact O-N 2.87Å; S460-N464 PolarHBondContact O-ND2 3.44Å
461	R	85.9	Confident	81.2	Confident	93 Å²	93	54.1 Å²	54.1	35%	0.351	31%	0.307	S	S	.	.	H	α-helix	trans	-61	-47.8	172.6	-168.5	-178.5	-63.6	141	-0.6	112.2	L448 D449 P457 L459 K463 N464 E465	L448-R461 HydrophobicContact CB-CG 4.33Å; D449-R461 IonicContact OD1-CZ 2.69Å; D449-R461 IonicContact OD1-NE 3.91Å; D449-R461 PolarHBondContact OD1-NE 3.26Å; D449-R461 IonicContact OD1-NH2 2.81Å; D449-R461 PolarHBondContact OD1-NH2 2.8Å; D449-R461 IonicContact OD2-NH2 2.67Å; P457-R461 WeakPolarHBondContact O-CB 3.31Å; P457-R461 PolarHBondContact O-N 3.13Å; P457-R461 VanDerWaalsContact O-N 3.15Å; L459-R461 VanDerWaalsContact C-N 3.33Å; R461-K463 VanDerWaalsContact C-N 3.33Å; R461-K463 PolarHBondContact O-N 3.02Å; R461-N464 CarbonylContact O-C 3.59Å; R461-N464 PolarHBondContact O-N 3.27Å; R461-E465 WeakPolarHBondContact O-CG 3.44Å; R461-E465 PolarHBondContact O-N 3.06Å
462	L	90.4	Very high	83.1	Confident	15 Å²	15	53.1 Å²	53.1	8%	0.079	30%	0.295	C	S	.	.	H	α-helix	trans	-60.2	-40.6	175	-69.9	171.9	0	0	0	112.4	H458 L459 N464 E465 G466 K481 Q484 A485	H458-L462 PolarHBondContact O-N 2.78Å; H458-L462 VanDerWaalsContact O-N 3.17Å; L459-L462 HydrophobicContact CD2-CD1 4.3Å; L459-L462 PolarHBondContact O-N 3.22Å; L462-N464 VanDerWaalsContact C-N 3.32Å; L462-N464 PolarHBondContact O-N 2.88Å; L462-E465 PolarHBondContact O-N 3.33Å; L462-G466 PolarHBondContact O-N 3.47Å; L462-K481 HydrophobicContact CD2-CD 3.87Å; L462-Q484 HydrophobicContact CD1-CB 4.21Å; L462-A485 HydrophobicContact CB-CB 3.93Å
463	K	90.3	Very high	85.1	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.009	30%	0.296	C	S	.	.	H	α-helix	trans	-59	-41.8	171.9	-176.9	167.4	66.3	173.5	0	111.2	C452 L455 L459 S460 R461 N467 D499 I502 L503	C452-K463 PolarHBondContact O-NZ 3.11Å; C452-K463 VanDerWaalsContact SG-CE 3.58Å; C452-K463 PolarHBondContact SG-NZ 3.19Å; C452-K463 VanDerWaalsContact SG-NZ 3.41Å; L455-K463 HydrophobicContact CD1-CD 3.95Å; L455-K463 VanDerWaalsContact CD1-CE 3.45Å; L459-K463 WeakPolarHBondContact O-CB 3.47Å; L459-K463 PolarHBondContact O-N 3.18Å; S460-K463 WeakPolarHBondContact O-CB 3.42Å; S460-K463 PolarHBondContact O-N 3.26Å; R461-K463 VanDerWaalsContact C-N 3.33Å; R461-K463 PolarHBondContact O-N 3.02Å; K463-N467 WeakPolarHBondContact O-CB 3.46Å; K463-N467 VanDerWaalsContact O-CG 3.26Å; K463-N467 PolarHBondContact O-N 3.35Å; K463-N467 PolarHBondContact O-ND2 3.37Å; K463-D499 IonicContact NZ-OD1 2.78Å; K463-D499 PolarHBondContact NZ-OD1 2.96Å; K463-I502 HydrophobicContact CD-CG2 4.26Å; K463-L503 HydrophobicContact CB-CD2 4.02Å; K463-L503 HydrophobicContact CD-CD2 3.87Å; K463-L503 HydrophobicContact CD-CG 4.5Å; K463-L503 HydrophobicContact CG-CD2 3.95Å
464	N	88	Confident	86.8	Confident	24 Å²	24	53.3 Å²	53.3	13%	0.128	28%	0.284	C	S	.	.	H	α-helix	trans	-74.3	-37.3	-179.5	-69.7	-19.3	0	0	0	113.2	L448 S460 R461 L462 N467 L468	L448-N464 HydrophobicContact CD2-CB 4.43Å; L448-N464 PolarHBondContact O-ND2 2.76Å; S460-N464 WeakPolarHBondContact O-CB 3.45Å; S460-N464 PolarHBondContact O-N 2.87Å; S460-N464 PolarHBondContact O-ND2 3.44Å; R461-N464 CarbonylContact O-C 3.59Å; R461-N464 PolarHBondContact O-N 3.27Å; L462-N464 VanDerWaalsContact C-N 3.32Å; L462-N464 PolarHBondContact O-N 2.88Å; N464-N467 WeakPolarHBondContact O-CB 3.17Å; N464-N467 PolarHBondContact O-N 2.7Å; N464-L468 PolarHBondContact O-N 3.02Å
465	E	90.7	Very high	88.1	Confident	50 Å²	50	52.8 Å²	52.8	23%	0.234	27%	0.27	C	S	.	.	H	α-helix	trans	-61.4	-46.9	170.2	-73.4	174.6	-156.2	0	0	111.2	L448 R461 L462 N467 L468 L469 K481	L448-E465 HydrophobicContact CD2-CG 4.39Å; R461-E465 WeakPolarHBondContact O-CG 3.44Å; R461-E465 PolarHBondContact O-N 3.06Å; L462-E465 PolarHBondContact O-N 3.33Å; E465-N467 VanDerWaalsContact C-N 3.33Å; E465-N467 PolarHBondContact O-N 3.28Å; E465-L468 PolarHBondContact O-N 3Å; E465-L468 VanDerWaalsContact O-N 3.13Å; E465-L469 WeakPolarHBondContact O-CG 3.34Å; E465-L469 PolarHBondContact O-N 3.32Å; E465-K481 HydrophobicContact CB-CD 4.28Å; E465-K481 WeakPolarHBondContact OE2-CD 3.24Å; E465-K481 WeakPolarHBondContact OE2-CE 3.45Å; E465-K481 IonicContact OE2-NZ 3.29Å; E465-K481 PolarHBondContact OE2-NZ 3.07Å
466	G	92.9	Very high	88.9	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.7	-40.3	173.7	0	0	0	0	0	112.9	L462 L468 F470 Y482	L462-G466 PolarHBondContact O-N 3.47Å; G466-L468 VanDerWaalsContact C-N 3.31Å; G466-L468 PolarHBondContact O-N 2.7Å; G466-F470 VanDerWaalsContact O-CB 3.29Å; G466-F470 WeakPolarHBondContact O-CB 3.35Å; G466-F470 PolarHBondContact O-N 3.03Å; G466-Y482 VanDerWaalsContact C-CZ 3.46Å; G466-Y482 PolarHBondContact O-OH 3.02Å
467	N	92.3	Very high	89.5	Confident	52 Å²	52	56.7 Å²	56.7	28%	0.278	30%	0.297	S	S	.	.	H	α-helix	trans	-62.8	-35.7	174.5	-78.3	-46.7	0	0	0	112.4	K463 N464 E465 K471 Y482 N506	K463-N467 WeakPolarHBondContact O-CB 3.46Å; K463-N467 VanDerWaalsContact O-CG 3.26Å; K463-N467 PolarHBondContact O-N 3.35Å; K463-N467 PolarHBondContact O-ND2 3.37Å; N464-N467 WeakPolarHBondContact O-CB 3.17Å; N464-N467 PolarHBondContact O-N 2.7Å; E465-N467 VanDerWaalsContact C-N 3.33Å; E465-N467 PolarHBondContact O-N 3.28Å; N467-K471 WeakPolarHBondContact O-CG 3.18Å; N467-K471 PolarHBondContact O-N 2.89Å; N467-Y482 WeakPolarHBondContact CA-OH 3.36Å; N467-Y482 PolarHBondContact N-OH 2.98Å; N467-Y482 VanDerWaalsContact N-OH 3.15Å; N467-Y482 PolarHBondContact OD1-OH 3.23Å; N467-N506 PolarHBondContact OD1-ND2 3.17Å
468	L	91.5	Very high	90.3	Very high	56 Å²	56	52 Å²	52	29%	0.293	27%	0.267	S	S	.	.	H	α-helix	trans	-72.9	-47.8	177.8	-177.4	60	0	0	0	111.5	V446 N464 E465 G466 F470 K471 N472	V446-L468 HydrophobicContact CG2-CD1 4.33Å; N464-L468 PolarHBondContact O-N 3.02Å; E465-L468 PolarHBondContact O-N 3Å; E465-L468 VanDerWaalsContact O-N 3.13Å; G466-L468 VanDerWaalsContact C-N 3.31Å; G466-L468 PolarHBondContact O-N 2.7Å; L468-F470 VanDerWaalsContact C-N 3.3Å; L468-F470 PolarHBondContact O-N 3.32Å; L468-K471 WeakPolarHBondContact O-CB 3.28Å; L468-K471 PolarHBondContact O-N 3.34Å; L468-K471 VanDerWaalsContact O-N 3.13Å; L468-N472 PolarHBondContact O-N 2.98Å; L468-N472 PolarHBondContact O-OD1 3.31Å
469	L	92.3	Very high	90.9	Very high	32 Å²	32	47.3 Å²	47.3	17%	0.168	25%	0.246	C	C	.	.	H	α-helix	trans	-59.7	-40.1	176.2	-69.7	164	0	0	0	111.6	E465 K471 N472 G473 Q474 D477 A478 K481	E465-L469 WeakPolarHBondContact O-CG 3.34Å; E465-L469 PolarHBondContact O-N 3.32Å; L469-K471 PolarHBondContact O-N 2.92Å; L469-N472 CarbonylContact O-C 3.49Å; L469-N472 PolarHBondContact O-N 3.27Å; L469-N472 VanDerWaalsContact O-N 3.16Å; L469-G473 PolarHBondContact O-N 3.46Å; L469-G473 VanDerWaalsContact O-N 3.17Å; L469-Q474 HydrophobicContact CB-CB 4.16Å; L469-Q474 HydrophobicContact CD2-CB 4.03Å; L469-Q474 HydrophobicContact CD2-CG 4.47Å; L469-Q474 PolarHBondContact O-N 3.18Å; L469-D477 HydrophobicContact CD1-CB 3.95Å; L469-D477 HydrophobicContact CD2-CB 4.18Å; L469-A478 HydrophobicContact CB-CB 3.83Å; L469-K481 HydrophobicContact CD1-CG 3.84Å
470	F	92.4	Very high	91.3	Very high	58 Å²	58	52.6 Å²	52.6	25%	0.254	27%	0.27	S	S	.	.	H	α-helix	trans	-62.3	-39.9	174.7	-174.2	-89.7	0	0	0	112.8	G466 L468 N472 G473 F475 A478 A509 K513	G466-F470 VanDerWaalsContact O-CB 3.29Å; G466-F470 WeakPolarHBondContact O-CB 3.35Å; G466-F470 PolarHBondContact O-N 3.03Å; L468-F470 VanDerWaalsContact C-N 3.3Å; L468-F470 PolarHBondContact O-N 3.32Å; F470-N472 VanDerWaalsContact C-N 3.31Å; F470-G473 PolarHBondContact O-N 3.31Å; F470-F475 AromaticContact CD2-CD1 3.64Å; F470-F475 HydrophobicContact CD2-CD1 3.64Å; F470-F475 AromaticContact CD2-CE1 3.86Å; F470-F475 HydrophobicContact CD2-CE1 3.86Å; F470-F475 AromaticContact CE2-CD1 3.77Å; F470-F475 HydrophobicContact CE2-CD1 3.77Å; F470-F475 AromaticContact CE2-CE1 3.77Å; F470-F475 HydrophobicContact CE2-CE1 3.77Å; F470-F475 HydrophobicContact CG-CD1 4.42Å; F470-F475 HydrophobicContact CG-CE1 4.37Å; F470-F475 HydrophobicContact CZ-CE1 4.22Å; F470-A478 HydrophobicContact CB-CB 4.27Å; F470-A509 HydrophobicContact CE2-CB 3.96Å; F470-A509 HydrophobicContact CZ-CB 4.11Å; F470-K513 HydrophobicContact CE2-CG 4.15Å; F470-K513 HydrophobicContact CZ-CG 4.19Å
471	K	90.7	Very high	91.8	Very high	165 Å²	165	55 Å²	55	72%	0.717	28%	0.28	S	S	*	.	H	α-helix	trans	-64.4	-36.1	173.5	-73.3	170.9	-179.3	178.9	0	112.1	N467 L468 L469 G473	N467-K471 WeakPolarHBondContact O-CG 3.18Å; N467-K471 PolarHBondContact O-N 2.89Å; L468-K471 WeakPolarHBondContact O-CB 3.28Å; L468-K471 PolarHBondContact O-N 3.34Å; L468-K471 VanDerWaalsContact O-N 3.13Å; L469-K471 PolarHBondContact O-N 2.92Å; K471-G473 PolarHBondContact O-N 3.09Å
472	N	90.7	Very high	92.3	Very high	101 Å²	101	50.7 Å²	50.7	54%	0.54	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-5	177.8	-63.5	-4.8	0	0	0	113.4	L468 L469 F470 Q474	L468-N472 PolarHBondContact O-N 2.98Å; L468-N472 PolarHBondContact O-OD1 3.31Å; L469-N472 CarbonylContact O-C 3.49Å; L469-N472 PolarHBondContact O-N 3.27Å; L469-N472 VanDerWaalsContact O-N 3.16Å; F470-N472 VanDerWaalsContact C-N 3.31Å; N472-Q474 VanDerWaalsContact C-N 3.32Å; N472-Q474 HydrophobicContact CB-CG 4.48Å
473	G	90.9	Very high	92.5	Very high	37 Å²	37	51.7 Å²	51.7	38%	0.381	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	6.4	-176.2	0	0	0	0	0	114.8	L469 F470 K471 F475	L469-G473 PolarHBondContact O-N 3.46Å; L469-G473 VanDerWaalsContact O-N 3.17Å; F470-G473 PolarHBondContact O-N 3.31Å; K471-G473 PolarHBondContact O-N 3.09Å; G473-F475 VanDerWaalsContact C-N 3.25Å; G473-F475 WeakPolarHBondContact O-CD2 3.39Å; G473-F475 PolarHBondContact O-N 3.38Å
474	Q	93.3	Very high	92.7	Very high	81 Å²	81	54.9 Å²	54.9	38%	0.379	29%	0.288	S	S	.	.			trans	-82.2	67.5	178.1	-70.2	176.8	-103.1	0	0	110.5	L469 N472 A476 D477 A478	L469-Q474 HydrophobicContact CB-CB 4.16Å; L469-Q474 HydrophobicContact CD2-CB 4.03Å; L469-Q474 HydrophobicContact CD2-CG 4.47Å; L469-Q474 PolarHBondContact O-N 3.18Å; N472-Q474 VanDerWaalsContact C-N 3.32Å; N472-Q474 HydrophobicContact CB-CG 4.48Å; Q474-A476 PolarHBondContact O-N 3.49Å; Q474-D477 HydrophobicContact CB-CB 4.28Å; Q474-D477 WeakPolarHBondContact CB-OD2 3.28Å; Q474-D477 PolarHBondContact NE2-OD2 3.04Å; Q474-D477 PolarHBondContact O-N 2.97Å; Q474-A478 WeakPolarHBondContact O-CB 3.43Å; Q474-A478 PolarHBondContact O-N 3.13Å
475	F	93.7	Very high	92.9	Very high	55 Å²	55	53.8 Å²	53.8	24%	0.241	28%	0.281	C	S	.	.	H	α-helix	trans	-65.4	-36.3	-170.3	-56.4	-54.7	0	0	0	113.9	F470 G473 L479 K513	F470-F475 AromaticContact CD2-CD1 3.64Å; F470-F475 HydrophobicContact CD2-CD1 3.64Å; F470-F475 AromaticContact CD2-CE1 3.86Å; F470-F475 HydrophobicContact CD2-CE1 3.86Å; F470-F475 AromaticContact CE2-CD1 3.77Å; F470-F475 HydrophobicContact CE2-CD1 3.77Å; F470-F475 AromaticContact CE2-CE1 3.77Å; F470-F475 HydrophobicContact CE2-CE1 3.77Å; F470-F475 HydrophobicContact CG-CD1 4.42Å; F470-F475 HydrophobicContact CG-CE1 4.37Å; F470-F475 HydrophobicContact CZ-CE1 4.22Å; G473-F475 VanDerWaalsContact C-N 3.25Å; G473-F475 WeakPolarHBondContact O-CD2 3.39Å; G473-F475 PolarHBondContact O-N 3.38Å; F475-L479 WeakPolarHBondContact O-CB 3.29Å; F475-L479 PolarHBondContact O-N 3.06Å; F475-K513 HydrophobicContact CD1-CB 3.96Å; F475-K513 HydrophobicContact CD1-CG 4.32Å; F475-K513 HydrophobicContact CD2-CB 3.85Å; F475-K513 HydrophobicContact CE1-CB 3.98Å; F475-K513 HydrophobicContact CE1-CG 3.95Å; F475-K513 HydrophobicContact CE2-CB 3.86Å; F475-K513 HydrophobicContact CE2-CG 4.42Å; F475-K513 HydrophobicContact CG-CB 3.91Å; F475-K513 HydrophobicContact CZ-CB 3.94Å; F475-K513 HydrophobicContact CZ-CD 4.43Å; F475-K513 HydrophobicContact CZ-CG 4.02Å
476	A	92.1	Very high	93	Very high	65 Å²	65	51.9 Å²	51.9	54%	0.537	27%	0.273	S	S	.	.	H	α-helix	trans	-66.7	-49.5	177.6	0	0	0	0	0	112.1	Q474 A478 L479 E480	Q474-A476 PolarHBondContact O-N 3.49Å; A476-A478 VanDerWaalsContact C-N 3.29Å; A476-A478 PolarHBondContact O-N 3.44Å; A476-L479 WeakPolarHBondContact O-CA 3.46Å; A476-L479 WeakPolarHBondContact O-CB 3.36Å; A476-L479 PolarHBondContact O-N 2.98Å; A476-E480 PolarHBondContact O-N 3.13Å
477	D	92.3	Very high	92.9	Very high	74 Å²	74	57 Å²	57	40%	0.396	30%	0.297	S	S	.	.	H	α-helix	trans	-61.7	-39.2	177.8	-48.9	-28.4	0	0	0	111.1	L469 Q474 L479 E480 K481	L469-D477 HydrophobicContact CD1-CB 3.95Å; L469-D477 HydrophobicContact CD2-CB 4.18Å; Q474-D477 HydrophobicContact CB-CB 4.28Å; Q474-D477 WeakPolarHBondContact CB-OD2 3.28Å; Q474-D477 PolarHBondContact NE2-OD2 3.04Å; Q474-D477 PolarHBondContact O-N 2.97Å; D477-L479 VanDerWaalsContact C-N 3.34Å; D477-E480 PolarHBondContact O-N 3.15Å; D477-K481 WeakPolarHBondContact O-CG 3.39Å; D477-K481 PolarHBondContact O-N 3.14Å; D477-K481 VanDerWaalsContact O-N 3.08Å
478	A	94.1	Very high	92.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64	-37.3	172.5	0	0	0	0	0	112.4	L469 F470 Q474 A476 K481 Y482	L469-A478 HydrophobicContact CB-CB 3.83Å; F470-A478 HydrophobicContact CB-CB 4.27Å; Q474-A478 WeakPolarHBondContact O-CB 3.43Å; Q474-A478 PolarHBondContact O-N 3.13Å; A476-A478 VanDerWaalsContact C-N 3.29Å; A476-A478 PolarHBondContact O-N 3.44Å; A478-K481 PolarHBondContact O-N 2.74Å; A478-Y482 HydrophobicContact CB-CE2 4.16Å; A478-Y482 WeakPolarHBondContact O-CD2 3.36Å; A478-Y482 PolarHBondContact O-N 2.75Å
479	L	94.6	Very high	92.6	Very high	22 Å²	22	53.6 Å²	53.6	12%	0.115	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-41.8	176.6	-128.2	158.3	0	0	0	111.9	F475 A476 D477 S483 R507 C510 Y511	F475-L479 WeakPolarHBondContact O-CB 3.29Å; F475-L479 PolarHBondContact O-N 3.06Å; A476-L479 WeakPolarHBondContact O-CA 3.46Å; A476-L479 WeakPolarHBondContact O-CB 3.36Å; A476-L479 PolarHBondContact O-N 2.98Å; D477-L479 VanDerWaalsContact C-N 3.34Å; L479-S483 WeakPolarHBondContact O-CB 3.4Å; L479-S483 PolarHBondContact O-N 3.3Å; L479-S483 PolarHBondContact O-OG 2.99Å; L479-R507 HydrophobicContact CD2-CG 3.47Å; L479-R507 VanDerWaalsContact CD2-CG 3.47Å; L479-R507 HydrophobicContact CG-CG 4.08Å; L479-C510 HydrophobicContact CB-CB 4.26Å; L479-C510 HydrophobicContact CD1-CB 3.72Å; L479-C510 HydrophobicContact CG-CB 3.68Å; L479-Y511 HydrophobicContact CD1-CD1 3.73Å; L479-Y511 HydrophobicContact CD1-CE1 3.78Å; L479-Y511 HydrophobicContact CD1-CG 4.27Å; L479-Y511 HydrophobicContact CD2-CD1 4.38Å; L479-Y511 HydrophobicContact CD2-CD2 4.5Å; L479-Y511 HydrophobicContact CD2-CE1 3.78Å; L479-Y511 HydrophobicContact CD2-CE2 3.91Å; L479-Y511 HydrophobicContact CG-CE1 4.4Å
480	E	94.4	Very high	92.4	Very high	118 Å²	118	55.5 Å²	55.5	55%	0.551	30%	0.296	S	S	*	.	H	α-helix	trans	-63.3	-49.2	173.6	-161.1	-168	154.5	0	0	110.4	A476 D477 Y482 S483 Q484	A476-E480 PolarHBondContact O-N 3.13Å; D477-E480 PolarHBondContact O-N 3.15Å; E480-Y482 PolarHBondContact O-N 3.44Å; E480-S483 CarbonylContact O-C 3.58Å; E480-S483 WeakPolarHBondContact O-CA 3.36Å; E480-S483 WeakPolarHBondContact O-CB 3.37Å; E480-S483 PolarHBondContact O-N 2.92Å; E480-Q484 WeakPolarHBondContact O-CG 3.46Å; E480-Q484 PolarHBondContact O-N 3.28Å; E480-Q484 PolarHBondContact OE1-NE2 3Å
481	K	95.1	Very high	92.1	Very high	54 Å²	54	58.3 Å²	58.3	24%	0.235	31%	0.314	C	S	.	.	H	α-helix	trans	-60.7	-41.3	-180	-71.6	-72.6	175	173.6	0	113.8	L462 E465 L469 D477 A478 S483 A485	L462-K481 HydrophobicContact CD2-CD 3.87Å; E465-K481 HydrophobicContact CB-CD 4.28Å; E465-K481 WeakPolarHBondContact OE2-CD 3.24Å; E465-K481 WeakPolarHBondContact OE2-CE 3.45Å; E465-K481 IonicContact OE2-NZ 3.29Å; E465-K481 PolarHBondContact OE2-NZ 3.07Å; L469-K481 HydrophobicContact CD1-CG 3.84Å; D477-K481 WeakPolarHBondContact O-CG 3.39Å; D477-K481 PolarHBondContact O-N 3.14Å; D477-K481 VanDerWaalsContact O-N 3.08Å; A478-K481 PolarHBondContact O-N 2.74Å; K481-S483 VanDerWaalsContact C-N 3.34Å; K481-A485 WeakPolarHBondContact O-CB 3.18Å; K481-A485 PolarHBondContact O-N 3.12Å
482	Y	95.5	Very high	91.6	Very high	3 Å²	3	53.2 Å²	53.2	1%	0.012	30%	0.299	C	S	.	.	H	α-helix	trans	-67.7	-34.5	172.7	-63.7	-50.1	0	0	0	112.3	G466 N467 A478 E480 A485 I486 L503 N506 R507	G466-Y482 VanDerWaalsContact C-CZ 3.46Å; G466-Y482 PolarHBondContact O-OH 3.02Å; N467-Y482 WeakPolarHBondContact CA-OH 3.36Å; N467-Y482 PolarHBondContact N-OH 2.98Å; N467-Y482 VanDerWaalsContact N-OH 3.15Å; N467-Y482 PolarHBondContact OD1-OH 3.23Å; A478-Y482 HydrophobicContact CB-CE2 4.16Å; A478-Y482 WeakPolarHBondContact O-CD2 3.36Å; A478-Y482 PolarHBondContact O-N 2.75Å; E480-Y482 PolarHBondContact O-N 3.44Å; Y482-A485 PolarHBondContact O-N 3.01Å; Y482-I486 WeakPolarHBondContact O-CD1 3.32Å; Y482-I486 VanDerWaalsContact O-CG1 3.25Å; Y482-I486 WeakPolarHBondContact O-CG1 3.39Å; Y482-I486 PolarHBondContact O-N 3.27Å; Y482-L503 HydrophobicContact CD1-CD2 4.49Å; Y482-N506 HydrophobicContact CD1-CB 4.24Å; Y482-N506 HydrophobicContact CD2-CB 4.39Å; Y482-N506 HydrophobicContact CE1-CB 3.87Å; Y482-N506 HydrophobicContact CE2-CB 4.04Å; Y482-N506 HydrophobicContact CG-CB 4.5Å; Y482-R507 HydrophobicContact CD2-CB 4.44Å
483	S	95.4	Very high	91	Very high	36 Å²	36	51.6 Å²	51.6	25%	0.252	31%	0.306	S	S	.	.	H	α-helix	trans	-69.4	-39.7	176.2	-58.2	0	0	0	0	112.2	L479 E480 K481 A485 I486 Q487 R507	L479-S483 WeakPolarHBondContact O-CB 3.4Å; L479-S483 PolarHBondContact O-N 3.3Å; L479-S483 PolarHBondContact O-OG 2.99Å; E480-S483 CarbonylContact O-C 3.58Å; E480-S483 WeakPolarHBondContact O-CA 3.36Å; E480-S483 WeakPolarHBondContact O-CB 3.37Å; E480-S483 PolarHBondContact O-N 2.92Å; K481-S483 VanDerWaalsContact C-N 3.34Å; S483-A485 VanDerWaalsContact C-N 3.31Å; S483-A485 PolarHBondContact O-N 3.22Å; S483-I486 PolarHBondContact O-N 3.06Å; S483-Q487 WeakPolarHBondContact O-CB 3.4Å; S483-Q487 PolarHBondContact O-N 2.92Å; S483-R507 WeakPolarHBondContact OG-CD 3.43Å; S483-R507 PolarHBondContact OG-NH1 3.45Å
484	Q	94	Very high	90.1	Very high	70 Å²	70	52.8 Å²	52.8	33%	0.327	30%	0.302	S	S	.	.	H	α-helix	trans	-60.3	-40.7	170.6	-68.8	172.7	4.7	0	0	111.3	L462 E480 G488	L462-Q484 HydrophobicContact CD1-CB 4.21Å; E480-Q484 WeakPolarHBondContact O-CG 3.46Å; E480-Q484 PolarHBondContact O-N 3.28Å; E480-Q484 PolarHBondContact OE1-NE2 3Å; Q484-G488 PolarHBondContact O-N 3.45Å
485	A	92.5	Very high	89.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-67.1	-38.4	175.8	0	0	0	0	0	113.1	L462 K481 Y482 S483 Y489 L503	L462-A485 HydrophobicContact CB-CB 3.93Å; K481-A485 WeakPolarHBondContact O-CB 3.18Å; K481-A485 PolarHBondContact O-N 3.12Å; Y482-A485 PolarHBondContact O-N 3.01Å; S483-A485 VanDerWaalsContact C-N 3.31Å; S483-A485 PolarHBondContact O-N 3.22Å; A485-Y489 WeakPolarHBondContact O-CB 3.48Å; A485-Y489 PolarHBondContact O-N 3.17Å; A485-L503 HydrophobicContact CB-CD1 4.25Å; A485-L503 HydrophobicContact CB-CD2 3.78Å
486	I	92	Very high	88.7	Confident	10 Å²	10	54.6 Å²	54.6	5%	0.051	32%	0.319	C	S	.	.	H	α-helix	trans	-67.9	-43.6	175.5	-68.9	162.1	0	0	0	110.9	Y482 S483 Y489 T490 L500 L503 Y504 R507	Y482-I486 WeakPolarHBondContact O-CD1 3.32Å; Y482-I486 VanDerWaalsContact O-CG1 3.25Å; Y482-I486 WeakPolarHBondContact O-CG1 3.39Å; Y482-I486 PolarHBondContact O-N 3.27Å; S483-I486 PolarHBondContact O-N 3.06Å; I486-Y489 WeakPolarHBondContact O-CB 3.3Å; I486-Y489 PolarHBondContact O-N 3.43Å; I486-T490 PolarHBondContact O-N 2.91Å; I486-T490 PolarHBondContact O-OG1 3.47Å; I486-L500 HydrophobicContact CG1-CD1 4.48Å; I486-L500 HydrophobicContact CG2-CD1 4.24Å; I486-L503 HydrophobicContact CD1-CB 4.26Å; I486-L503 HydrophobicContact CG1-CB 3.71Å; I486-L503 HydrophobicContact CG1-CD1 4.26Å; I486-Y504 HydrophobicContact CD1-CD1 3.83Å; I486-Y504 HydrophobicContact CD1-CE1 4.03Å; I486-Y504 HydrophobicContact CD1-CG 4.41Å; I486-Y504 HydrophobicContact CG2-CE1 4.13Å; I486-R507 HydrophobicContact CD1-CB 4.47Å
487	Q	91.6	Very high	88.3	Confident	109 Å²	109	54.2 Å²	54.2	51%	0.509	31%	0.311	S	S	.	.	H	α-helix	trans	-64.5	-48.2	177.4	-170.6	64.3	53.1	0	0	111.1	S483 Y489 T490 D491	S483-Q487 WeakPolarHBondContact O-CB 3.4Å; S483-Q487 PolarHBondContact O-N 2.92Å; Q487-Y489 PolarHBondContact O-N 3.27Å; Q487-T490 PolarHBondContact NE2-OG1 2.97Å; Q487-T490 PolarHBondContact O-N 2.85Å; Q487-T490 VanDerWaalsContact O-N 3.07Å; Q487-T490 PolarHBondContact O-OG1 3.39Å; Q487-D491 PolarHBondContact NE2-OD1 3.17Å; Q487-D491 WeakPolarHBondContact O-CB 3.37Å; Q487-D491 PolarHBondContact O-N 3.3Å
488	G	88.8	Confident	88	Confident	22 Å²	22	55 Å²	55	23%	0.227	31%	0.312	C	S	.	.	H	α-helix	trans	-61.7	-27.3	175.4	0	0	0	0	0	113.4	Q484 S492	Q484-G488 PolarHBondContact O-N 3.45Å; G488-S492 VanDerWaalsContact O-CB 3.31Å; G488-S492 WeakPolarHBondContact O-CB 3.5Å; G488-S492 PolarHBondContact O-N 3.16Å; G488-S492 PolarHBondContact O-OG 3.5Å
489	Y	89	Confident	87.7	Confident	13 Å²	13	55.1 Å²	55.1	5%	0.051	31%	0.313	C	S	.	.	H	α-helix	trans	-66.9	-52.9	169.7	179.4	-76.4	0	0	0	110.8	L455 A485 I486 Q487 D491 S492 G493 M494 S496 L500	L455-Y489 HydrophobicContact CD2-CD2 3.73Å; L455-Y489 HydrophobicContact CD2-CE2 4.37Å; A485-Y489 WeakPolarHBondContact O-CB 3.48Å; A485-Y489 PolarHBondContact O-N 3.17Å; I486-Y489 WeakPolarHBondContact O-CB 3.3Å; I486-Y489 PolarHBondContact O-N 3.43Å; Q487-Y489 PolarHBondContact O-N 3.27Å; Y489-D491 VanDerWaalsContact C-N 3.31Å; Y489-D491 PolarHBondContact O-N 2.96Å; Y489-S492 PolarHBondContact O-N 3.29Å; Y489-S492 VanDerWaalsContact O-N 3.14Å; Y489-S492 PolarHBondContact O-OG 2.9Å; Y489-G493 PolarHBondContact O-N 3.03Å; Y489-M494 HydrophobicContact CD2-CB 4.22Å; Y489-M494 HydrophobicContact CE1-CB 4.38Å; Y489-M494 WeakPolarHBondContact CE1-O 3.33Å; Y489-M494 HydrophobicContact CE2-CB 3.76Å; Y489-M494 VanDerWaalsContact CZ-O 3.28Å; Y489-M494 PolarHBondContact OH-O 3.25Å; Y489-S496 VanDerWaalsContact OH-C 3.3Å; Y489-S496 PolarHBondContact OH-N 3.18Å; Y489-S496 PolarHBondContact OH-O 3.43Å; Y489-L500 HydrophobicContact CD1-CB 4.44Å; Y489-L500 HydrophobicContact CD1-CD1 3.87Å; Y489-L500 HydrophobicContact CD1-CD2 4.11Å; Y489-L500 HydrophobicContact CD1-CG 4.35Å; Y489-L500 HydrophobicContact CE1-CB 4.12Å; Y489-L500 HydrophobicContact CE1-CD1 4.3Å; Y489-L500 HydrophobicContact CE1-CD2 3.79Å; Y489-L500 HydrophobicContact CE1-CG 4.28Å; Y489-L500 HydrophobicContact CE2-CB 4.25Å; Y489-L500 HydrophobicContact CG-CD1 4.18Å
490	T	86.5	Confident	87.5	Confident	73 Å²	73	55 Å²	55	45%	0.448	31%	0.312	S	S	.	.	H	α-helix	trans	-62.4	-37.7	-179.6	49.5	0	0	0	0	112.6	I486 Q487 S492 G493	I486-T490 PolarHBondContact O-N 2.91Å; I486-T490 PolarHBondContact O-OG1 3.47Å; Q487-T490 PolarHBondContact NE2-OG1 2.97Å; Q487-T490 PolarHBondContact O-N 2.85Å; Q487-T490 VanDerWaalsContact O-N 3.07Å; Q487-T490 PolarHBondContact O-OG1 3.39Å; T490-S492 PolarHBondContact O-N 3.06Å; T490-G493 PolarHBondContact O-N 3.15Å
491	D	86.4	Confident	87.4	Confident	117 Å²	117	49.4 Å²	49.4	63%	0.626	29%	0.286	S	S	*	.	H	α-helix	trans	-69.2	-23.4	179.2	-60.4	-10.7	0	0	0	112.4	Q487 Y489	Q487-D491 PolarHBondContact NE2-OD1 3.17Å; Q487-D491 WeakPolarHBondContact O-CB 3.37Å; Q487-D491 PolarHBondContact O-N 3.3Å; Y489-D491 VanDerWaalsContact C-N 3.31Å; Y489-D491 PolarHBondContact O-N 2.96Å
492	S	81.8	Confident	87.2	Confident	57 Å²	57	49.3 Å²	49.3	40%	0.399	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-6	-179.3	66.2	0	0	0	0	114.8	G488 Y489 T490 M494	G488-S492 VanDerWaalsContact O-CB 3.31Å; G488-S492 WeakPolarHBondContact O-CB 3.5Å; G488-S492 PolarHBondContact O-N 3.16Å; G488-S492 PolarHBondContact O-OG 3.5Å; Y489-S492 PolarHBondContact O-N 3.29Å; Y489-S492 VanDerWaalsContact O-N 3.14Å; Y489-S492 PolarHBondContact O-OG 2.9Å; T490-S492 PolarHBondContact O-N 3.06Å; S492-M494 PolarHBondContact O-N 2.85Å; S492-M494 WeakPolarHBondContact OG-CG 3.49Å
493	G	76.4	Confident	87	Confident	67 Å²	67	49.2 Å²	49.2	69%	0.691	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	22.8	176.9	0	0	0	0	0	115.1	Y489 T490	Y489-G493 PolarHBondContact O-N 3.03Å; T490-G493 PolarHBondContact O-N 3.15Å
494	M	73.3	Confident	87.1	Confident	62 Å²	62	49.1 Å²	49.1	31%	0.305	28%	0.282	S	S	.	.			trans	-70.7	145.7	-177.6	-68.9	-79.9	-59.8	0	0	112.4	A454 P456 Y489 S492	A454-M494 VanDerWaalsContact O-CE 3.3Å; A454-M494 WeakPolarHBondContact O-CE 3.49Å; P456-M494 HydrophobicContact CG-CE 4.48Å; P456-M494 HydrophobicContact CG-SD 4.24Å; Y489-M494 HydrophobicContact CD2-CB 4.22Å; Y489-M494 HydrophobicContact CE1-CB 4.38Å; Y489-M494 WeakPolarHBondContact CE1-O 3.33Å; Y489-M494 HydrophobicContact CE2-CB 3.76Å; Y489-M494 VanDerWaalsContact CZ-O 3.28Å; Y489-M494 PolarHBondContact OH-O 3.25Å; S492-M494 PolarHBondContact O-N 2.85Å; S492-M494 WeakPolarHBondContact OG-CG 3.49Å
495	D	73	Confident	87.2	Confident	157 Å²	157	45.9 Å²	45.9	84%	0.84	27%	0.267	S	S	*	.			trans	-116.7	64.5	176.2	-163	15.2	0	0	0	111.9
496	S	83.9	Confident	87.3	Confident	18 Å²	18	46.9 Å²	46.9	13%	0.126	27%	0.272	C	S	.	.			trans	-121.5	81.8	169.3	-178.7	0	0	0	0	109.4	Y489 E498 D499 L500	Y489-S496 VanDerWaalsContact OH-C 3.3Å; Y489-S496 PolarHBondContact OH-N 3.18Å; Y489-S496 PolarHBondContact OH-O 3.43Å; S496-E498 PolarHBondContact O-N 3.08Å; S496-D499 PolarHBondContact O-N 3.3Å; S496-D499 PolarHBondContact OG-OD2 3.42Å; S496-L500 PolarHBondContact O-N 3.17Å
497	P	84.4	Confident	87.5	Confident	57 Å²	57	47.9 Å²	47.9	37%	0.37	28%	0.275	S	S	.	.	H	α-helix	trans	-62.1	-25.7	-177.5	23.4	-33.6	0	0	0	113.2	C501 L530	P497-C501 VanDerWaalsContact O-CB 3.3Å; P497-C501 WeakPolarHBondContact O-CB 3.29Å; P497-C501 PolarHBondContact O-N 2.87Å; P497-L530 HydrophobicContact CB-CB 4.48Å; P497-L530 HydrophobicContact CB-CD2 4.15Å
498	E	85.6	Confident	87.7	Confident	89 Å²	89	42.7 Å²	42.7	42%	0.416	25%	0.251	S	S	.	.	H	α-helix	trans	-67.5	-46.4	174.4	-179.6	170.4	-150.5	0	0	112.4	S496 L500 C501 I502 Q531	S496-E498 PolarHBondContact O-N 3.08Å; E498-L500 VanDerWaalsContact C-N 3.3Å; E498-L500 PolarHBondContact O-N 2.59Å; E498-C501 WeakPolarHBondContact O-CB 3.35Å; E498-C501 PolarHBondContact O-N 2.98Å; E498-I502 HydrophobicContact CG-CD1 4.02Å; E498-I502 VanDerWaalsContact O-CG1 3.32Å; E498-I502 WeakPolarHBondContact O-CG1 3.2Å; E498-I502 PolarHBondContact O-N 2.96Å; E498-Q531 PolarHBondContact OE1-NE2 3.4Å
499	D	86.8	Confident	88	Confident	4 Å²	4	42 Å²	42	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-39.2	177.6	-89.5	-63.2	0	0	0	111.8	G453 A454 L455 K463 S496 I502 L503	G453-D499 WeakPolarHBondContact CA-OD2 3.32Å; A454-D499 PolarHBondContact N-OD2 3.17Å; L455-D499 HydrophobicContact CD1-CB 4.03Å; L455-D499 VanDerWaalsContact CD1-OD1 3.29Å; L455-D499 WeakPolarHBondContact CD1-OD1 3.3Å; L455-D499 HydrophobicContact CD2-CB 4.17Å; L455-D499 HydrophobicContact CG-CB 3.77Å; L455-D499 WeakPolarHBondContact CG-OD1 3.24Å; K463-D499 IonicContact NZ-OD1 2.78Å; K463-D499 PolarHBondContact NZ-OD1 2.96Å; S496-D499 PolarHBondContact O-N 3.3Å; S496-D499 PolarHBondContact OG-OD2 3.42Å; D499-I502 PolarHBondContact O-N 3.05Å; D499-L503 WeakPolarHBondContact O-CG 3.31Å; D499-L503 PolarHBondContact O-N 3.27Å
500	L	90.7	Very high	88.3	Confident	18 Å²	18	41.4 Å²	41.4	9%	0.094	24%	0.241	C	C	.	.	H	α-helix	trans	-67.3	-39.9	175.9	-174.6	60.4	0	0	0	111.9	I486 Y489 S496 E498 I502 L503 Y504 L530	I486-L500 HydrophobicContact CG1-CD1 4.48Å; I486-L500 HydrophobicContact CG2-CD1 4.24Å; Y489-L500 HydrophobicContact CD1-CB 4.44Å; Y489-L500 HydrophobicContact CD1-CD1 3.87Å; Y489-L500 HydrophobicContact CD1-CD2 4.11Å; Y489-L500 HydrophobicContact CD1-CG 4.35Å; Y489-L500 HydrophobicContact CE1-CB 4.12Å; Y489-L500 HydrophobicContact CE1-CD1 4.3Å; Y489-L500 HydrophobicContact CE1-CD2 3.79Å; Y489-L500 HydrophobicContact CE1-CG 4.28Å; Y489-L500 HydrophobicContact CE2-CB 4.25Å; Y489-L500 HydrophobicContact CG-CD1 4.18Å; S496-L500 PolarHBondContact O-N 3.17Å; E498-L500 VanDerWaalsContact C-N 3.3Å; E498-L500 PolarHBondContact O-N 2.59Å; L500-I502 VanDerWaalsContact C-N 3.35Å; L500-I502 PolarHBondContact O-N 2.96Å; L500-L503 PolarHBondContact O-N 3.35Å; L500-Y504 HydrophobicContact CD1-CD2 4.03Å; L500-Y504 HydrophobicContact CD1-CE2 3.65Å; L500-Y504 HydrophobicContact CD2-CE2 4.04Å; L500-Y504 HydrophobicContact CG-CD2 3.88Å; L500-Y504 HydrophobicContact CG-CE2 3.63Å; L500-Y504 WeakPolarHBondContact O-CD2 3.46Å; L500-Y504 PolarHBondContact O-N 2.7Å; L500-L530 HydrophobicContact CB-CD1 4.03Å; L500-L530 HydrophobicContact CD2-CD1 3.73Å; L500-L530 HydrophobicContact CD2-CD2 4.2Å; L500-L530 HydrophobicContact CG-CD1 3.63Å
501	C	91.7	Very high	88.8	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.007	23%	0.227	C	C	.	.	H	α-helix	trans	-57.3	-45.8	170.3	171.4	0	0	0	0	111.7	P497 E498 L503 Y504 S505 A527 L530 Q531	P497-C501 VanDerWaalsContact O-CB 3.3Å; P497-C501 WeakPolarHBondContact O-CB 3.29Å; P497-C501 PolarHBondContact O-N 2.87Å; E498-C501 WeakPolarHBondContact O-CB 3.35Å; E498-C501 PolarHBondContact O-N 2.98Å; C501-L503 VanDerWaalsContact C-N 3.34Å; C501-L503 PolarHBondContact O-N 3.09Å; C501-Y504 PolarHBondContact O-N 3.32Å; C501-S505 VanDerWaalsContact O-CB 3.24Å; C501-S505 WeakPolarHBondContact O-CB 3.41Å; C501-S505 PolarHBondContact O-N 3.01Å; C501-A527 PolarHBondContact SG-O 3.11Å; C501-L530 HydrophobicContact CB-CB 4.24Å; C501-Q531 HydrophobicContact CB-CB 4.04Å
502	I	91.1	Very high	89.2	Confident	53 Å²	53	35.8 Å²	35.8	27%	0.272	21%	0.205	S	C	.	.	H	α-helix	trans	-60.8	-43	177.7	-69.6	164.7	0	0	0	111	K463 E498 D499 L500 S505 N506	K463-I502 HydrophobicContact CD-CG2 4.26Å; E498-I502 HydrophobicContact CG-CD1 4.02Å; E498-I502 VanDerWaalsContact O-CG1 3.32Å; E498-I502 WeakPolarHBondContact O-CG1 3.2Å; E498-I502 PolarHBondContact O-N 2.96Å; D499-I502 PolarHBondContact O-N 3.05Å; L500-I502 VanDerWaalsContact C-N 3.35Å; L500-I502 PolarHBondContact O-N 2.96Å; I502-S505 PolarHBondContact O-N 3.31Å; I502-N506 WeakPolarHBondContact O-CB 3.27Å; I502-N506 PolarHBondContact O-N 2.69Å
503	L	92.9	Very high	89.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-51.8	177.6	-73.3	173.5	0	0	0	112.2	L455 K463 Y482 A485 I486 D499 L500 C501 S505 N506 R507	L455-L503 HydrophobicContact CD2-CD1 4.43Å; K463-L503 HydrophobicContact CB-CD2 4.02Å; K463-L503 HydrophobicContact CD-CD2 3.87Å; K463-L503 HydrophobicContact CD-CG 4.5Å; K463-L503 HydrophobicContact CG-CD2 3.95Å; Y482-L503 HydrophobicContact CD1-CD2 4.49Å; A485-L503 HydrophobicContact CB-CD1 4.25Å; A485-L503 HydrophobicContact CB-CD2 3.78Å; I486-L503 HydrophobicContact CD1-CB 4.26Å; I486-L503 HydrophobicContact CG1-CB 3.71Å; I486-L503 HydrophobicContact CG1-CD1 4.26Å; D499-L503 WeakPolarHBondContact O-CG 3.31Å; D499-L503 PolarHBondContact O-N 3.27Å; L500-L503 PolarHBondContact O-N 3.35Å; C501-L503 VanDerWaalsContact C-N 3.34Å; C501-L503 PolarHBondContact O-N 3.09Å; L503-S505 VanDerWaalsContact C-N 3.33Å; L503-S505 PolarHBondContact O-N 3.5Å; L503-N506 PolarHBondContact O-N 2.67Å; L503-R507 PolarHBondContact O-N 2.92Å
504	Y	95.9	Very high	90.4	Very high	34 Å²	34	41.4 Å²	41.4	13%	0.133	21%	0.208	C	C	.	.	H	α-helix	trans	-58.7	-44.2	175.4	-79.8	-58.4	0	0	0	111.9	I486 L500 C501 N506 R507 A508 D523 R526 L530	I486-Y504 HydrophobicContact CD1-CD1 3.83Å; I486-Y504 HydrophobicContact CD1-CE1 4.03Å; I486-Y504 HydrophobicContact CD1-CG 4.41Å; I486-Y504 HydrophobicContact CG2-CE1 4.13Å; L500-Y504 HydrophobicContact CD1-CD2 4.03Å; L500-Y504 HydrophobicContact CD1-CE2 3.65Å; L500-Y504 HydrophobicContact CD2-CE2 4.04Å; L500-Y504 HydrophobicContact CG-CD2 3.88Å; L500-Y504 HydrophobicContact CG-CE2 3.63Å; L500-Y504 WeakPolarHBondContact O-CD2 3.46Å; L500-Y504 PolarHBondContact O-N 2.7Å; C501-Y504 PolarHBondContact O-N 3.32Å; Y504-N506 VanDerWaalsContact C-N 3.3Å; Y504-N506 PolarHBondContact O-N 3.28Å; Y504-R507 PolarHBondContact O-N 3.12Å; Y504-A508 WeakPolarHBondContact O-CB 3.44Å; Y504-A508 PolarHBondContact O-N 2.98Å; Y504-D523 HydrophobicContact CD1-CB 4.31Å; Y504-D523 WeakPolarHBondContact CD1-OD1 3.37Å; Y504-R526 HydrophobicContact CD2-CB 4.26Å; Y504-R526 HydrophobicContact CE2-CB 4.31Å; Y504-R526 HydrophobicContact CG-CB 4.42Å; Y504-L530 HydrophobicContact CD2-CD1 3.81Å; Y504-L530 HydrophobicContact CE2-CD1 3.97Å
505	S	96	Very high	91.2	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-37.6	179.2	-161	0	0	0	0	112.2	C501 I502 L503 A509 P537 R540	C501-S505 VanDerWaalsContact O-CB 3.24Å; C501-S505 WeakPolarHBondContact O-CB 3.41Å; C501-S505 PolarHBondContact O-N 3.01Å; I502-S505 PolarHBondContact O-N 3.31Å; L503-S505 VanDerWaalsContact C-N 3.33Å; L503-S505 PolarHBondContact O-N 3.5Å; S505-A509 PolarHBondContact O-N 2.84Å; S505-A509 VanDerWaalsContact O-N 3.15Å; S505-P537 VanDerWaalsContact OG-CD 3.25Å; S505-P537 WeakPolarHBondContact OG-CD 3.47Å; S505-P537 WeakPolarHBondContact OG-CG 3.39Å; S505-R540 WeakPolarHBondContact O-CD 3.27Å; S505-R540 VanDerWaalsContact O-CZ 3.28Å; S505-R540 PolarHBondContact O-NH1 2.92Å; S505-R540 PolarHBondContact OG-NH1 3.41Å
506	N	94.9	Very high	92.2	Very high	20 Å²	20	35.8 Å²	35.8	11%	0.107	19%	0.191	C	C	.	.	H	α-helix	trans	-71.3	-37.1	176	-81.7	1.1	0	0	0	112.5	N467 Y482 I502 L503 Y504 A509 C510	N467-N506 PolarHBondContact OD1-ND2 3.17Å; Y482-N506 HydrophobicContact CD1-CB 4.24Å; Y482-N506 HydrophobicContact CD2-CB 4.39Å; Y482-N506 HydrophobicContact CE1-CB 3.87Å; Y482-N506 HydrophobicContact CE2-CB 4.04Å; Y482-N506 HydrophobicContact CG-CB 4.5Å; I502-N506 WeakPolarHBondContact O-CB 3.27Å; I502-N506 PolarHBondContact O-N 2.69Å; L503-N506 PolarHBondContact O-N 2.67Å; Y504-N506 VanDerWaalsContact C-N 3.3Å; Y504-N506 PolarHBondContact O-N 3.28Å; N506-A509 WeakPolarHBondContact O-CB 3.48Å; N506-A509 PolarHBondContact O-N 2.8Å; N506-A509 VanDerWaalsContact O-N 3.15Å; N506-C510 PolarHBondContact O-N 2.88Å
507	R	96.1	Very high	92.7	Very high	32 Å²	32	35.4 Å²	35.4	12%	0.121	19%	0.189	C	C	.	.	H	α-helix	trans	-66.2	-41	173.2	-165.1	171.9	66.6	171.8	4	112.2	L479 Y482 S483 I486 L503 Y504 A509 C510 Y511 D523	L479-R507 HydrophobicContact CD2-CG 3.47Å; L479-R507 VanDerWaalsContact CD2-CG 3.47Å; L479-R507 HydrophobicContact CG-CG 4.08Å; Y482-R507 HydrophobicContact CD2-CB 4.44Å; S483-R507 WeakPolarHBondContact OG-CD 3.43Å; S483-R507 PolarHBondContact OG-NH1 3.45Å; I486-R507 HydrophobicContact CD1-CB 4.47Å; L503-R507 PolarHBondContact O-N 2.92Å; Y504-R507 PolarHBondContact O-N 3.12Å; R507-A509 PolarHBondContact O-N 3.12Å; R507-C510 WeakPolarHBondContact O-CB 3.39Å; R507-C510 PolarHBondContact O-N 3.34Å; R507-Y511 HydrophobicContact CG-CD2 4.35Å; R507-Y511 HydrophobicContact CG-CE2 3.96Å; R507-Y511 PolarHBondContact O-N 2.78Å; R507-Y511 VanDerWaalsContact O-N 3.14Å; R507-D523 IonicContact CZ-OD1 3.86Å; R507-D523 IonicContact CZ-OD2 3.28Å; R507-D523 VanDerWaalsContact CZ-OD2 3.28Å; R507-D523 IonicContact NE-OD2 2.69Å; R507-D523 PolarHBondContact NE-OD2 3.12Å; R507-D523 VanDerWaalsContact NH2-CG 3.34Å; R507-D523 IonicContact NH2-OD1 2.86Å; R507-D523 PolarHBondContact NH2-OD1 3.05Å; R507-D523 IonicContact NH2-OD2 3.02Å; R507-D523 PolarHBondContact NH2-OD2 2.82Å
508	A	96.4	Very high	93.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.9	-31.7	170.5	0	0	0	0	0	113	Y504 C510 Y511 L512 C520 D523 C524	Y504-A508 WeakPolarHBondContact O-CB 3.44Å; Y504-A508 PolarHBondContact O-N 2.98Å; A508-C510 VanDerWaalsContact C-N 3.34Å; A508-C510 PolarHBondContact O-N 3.05Å; A508-Y511 PolarHBondContact O-N 3.08Å; A508-L512 WeakPolarHBondContact O-CB 3.44Å; A508-L512 PolarHBondContact O-N 3.37Å; A508-C520 PolarHBondContact O-SG 3.16Å; A508-D523 HydrophobicContact CB-CB 3.92Å; A508-C524 WeakPolarHBondContact CB-SG 3.43Å
509	A	95.8	Very high	93.7	Very high	7 Å²	7	35.5 Å²	35.5	6%	0.058	19%	0.186	C	C	.	.	H	α-helix	trans	-65.3	-35.2	174.2	0	0	0	0	0	112.8	F470 S505 N506 R507 K513	F470-A509 HydrophobicContact CE2-CB 3.96Å; F470-A509 HydrophobicContact CZ-CB 4.11Å; S505-A509 PolarHBondContact O-N 2.84Å; S505-A509 VanDerWaalsContact O-N 3.15Å; N506-A509 WeakPolarHBondContact O-CB 3.48Å; N506-A509 PolarHBondContact O-N 2.8Å; N506-A509 VanDerWaalsContact O-N 3.15Å; R507-A509 PolarHBondContact O-N 3.12Å; A509-K513 WeakPolarHBondContact O-CG 3.33Å; A509-K513 PolarHBondContact O-N 2.91Å
510	C	95.6	Very high	94.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.7	-50.6	171.7	-62.9	0	0	0	0	110.7	L479 N506 R507 A508 L512 K513 D514	L479-C510 HydrophobicContact CB-CB 4.26Å; L479-C510 HydrophobicContact CD1-CB 3.72Å; L479-C510 HydrophobicContact CG-CB 3.68Å; N506-C510 PolarHBondContact O-N 2.88Å; R507-C510 WeakPolarHBondContact O-CB 3.39Å; R507-C510 PolarHBondContact O-N 3.34Å; A508-C510 VanDerWaalsContact C-N 3.34Å; A508-C510 PolarHBondContact O-N 3.05Å; C510-L512 VanDerWaalsContact C-N 3.28Å; C510-L512 PolarHBondContact O-N 3.33Å; C510-K513 CarbonylContact O-C 3.58Å; C510-K513 WeakPolarHBondContact O-CA 3.49Å; C510-K513 PolarHBondContact O-N 2.78Å; C510-D514 PolarHBondContact O-N 3.05Å
511	Y	95.7	Very high	94.5	Very high	40 Å²	40	35 Å²	35	16%	0.157	18%	0.183	C	C	.	.	H	α-helix	trans	-55.4	-41.2	177.6	-73.8	-55.3	0	0	0	112.6	L479 R507 A508 K513 D514 G515 N516 D519	L479-Y511 HydrophobicContact CD1-CD1 3.73Å; L479-Y511 HydrophobicContact CD1-CE1 3.78Å; L479-Y511 HydrophobicContact CD1-CG 4.27Å; L479-Y511 HydrophobicContact CD2-CD1 4.38Å; L479-Y511 HydrophobicContact CD2-CD2 4.5Å; L479-Y511 HydrophobicContact CD2-CE1 3.78Å; L479-Y511 HydrophobicContact CD2-CE2 3.91Å; L479-Y511 HydrophobicContact CG-CE1 4.4Å; R507-Y511 HydrophobicContact CG-CD2 4.35Å; R507-Y511 HydrophobicContact CG-CE2 3.96Å; R507-Y511 PolarHBondContact O-N 2.78Å; R507-Y511 VanDerWaalsContact O-N 3.14Å; A508-Y511 PolarHBondContact O-N 3.08Å; Y511-K513 VanDerWaalsContact C-N 3.27Å; Y511-K513 PolarHBondContact O-N 3.48Å; Y511-D514 PolarHBondContact O-N 3.24Å; Y511-G515 PolarHBondContact O-N 2.98Å; Y511-N516 HydrophobicContact CD1-CB 4.1Å; Y511-N516 PolarHBondContact O-N 3.39Å; Y511-D519 HydrophobicContact CD1-CB 3.89Å; Y511-D519 HydrophobicContact CD2-CB 3.96Å; Y511-D519 HydrophobicContact CE1-CB 3.8Å; Y511-D519 HydrophobicContact CE2-CB 3.88Å; Y511-D519 HydrophobicContact CG-CB 3.98Å
512	L	94.3	Very high	94.7	Very high	33 Å²	33	38.5 Å²	38.5	17%	0.173	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-23.5	175.4	-171.8	61.3	0	0	0	113.8	A508 C510 R540 M543 A544	A508-L512 WeakPolarHBondContact O-CB 3.44Å; A508-L512 PolarHBondContact O-N 3.37Å; C510-L512 VanDerWaalsContact C-N 3.28Å; C510-L512 PolarHBondContact O-N 3.33Å; L512-R540 HydrophobicContact CD2-CB 4.35Å; L512-R540 HydrophobicContact CD2-CG 4.33Å; L512-M543 HydrophobicContact CD1-CB 4.15Å; L512-M543 HydrophobicContact CD2-CB 4.02Å; L512-M543 HydrophobicContact CD2-CE 4.14Å; L512-M543 HydrophobicContact CD2-SD 4.06Å; L512-A544 HydrophobicContact CD1-CB 4.2Å
513	K	92.9	Very high	95	Very high	132 Å²	132	36.1 Å²	36.1	57%	0.574	19%	0.187	S	C	*	.	H	α-helix	trans	-89.1	-29.5	174.7	-71.3	-60.6	-175.4	-172.7	0	113.5	F470 F475 A509 C510 Y511 G515	F470-K513 HydrophobicContact CE2-CG 4.15Å; F470-K513 HydrophobicContact CZ-CG 4.19Å; F475-K513 HydrophobicContact CD1-CB 3.96Å; F475-K513 HydrophobicContact CD1-CG 4.32Å; F475-K513 HydrophobicContact CD2-CB 3.85Å; F475-K513 HydrophobicContact CE1-CB 3.98Å; F475-K513 HydrophobicContact CE1-CG 3.95Å; F475-K513 HydrophobicContact CE2-CB 3.86Å; F475-K513 HydrophobicContact CE2-CG 4.42Å; F475-K513 HydrophobicContact CG-CB 3.91Å; F475-K513 HydrophobicContact CZ-CB 3.94Å; F475-K513 HydrophobicContact CZ-CD 4.43Å; F475-K513 HydrophobicContact CZ-CG 4.02Å; A509-K513 WeakPolarHBondContact O-CG 3.33Å; A509-K513 PolarHBondContact O-N 2.91Å; C510-K513 CarbonylContact O-C 3.58Å; C510-K513 WeakPolarHBondContact O-CA 3.49Å; C510-K513 PolarHBondContact O-N 2.78Å; Y511-K513 VanDerWaalsContact C-N 3.27Å; Y511-K513 PolarHBondContact O-N 3.48Å; K513-G515 VanDerWaalsContact C-N 3.25Å
514	D	91	Very high	95.1	Very high	109 Å²	109	36.1 Å²	36.1	58%	0.583	19%	0.187	S	C	*	.	H	α-helix	trans	-75	-16.8	171.7	-158.9	54.9	0	0	0	112.3	C510 Y511	C510-D514 PolarHBondContact O-N 3.05Å; Y511-D514 PolarHBondContact O-N 3.24Å
515	G	89.9	Confident	95.2	Very high	49 Å²	49	36.2 Å²	36.2	51%	0.505	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	-9.6	-179.9	0	0	0	0	0	114	Y511 K513 S517	Y511-G515 PolarHBondContact O-N 2.98Å; K513-G515 VanDerWaalsContact C-N 3.25Å; G515-S517 VanDerWaalsContact C-N 3.27Å; G515-S517 PolarHBondContact O-N 2.93Å; G515-S517 PolarHBondContact O-OG 3.2Å; G515-S517 VanDerWaalsContact O-OG 3.12Å
516	N	94	Very high	95.1	Very high	52 Å²	52	40.9 Å²	40.9	28%	0.278	21%	0.208	S	C	.	.			trans	-68.3	81.8	175	-174.8	-10.6	0	0	0	111.4	Y511 Q518 D519 C520	Y511-N516 HydrophobicContact CD1-CB 4.1Å; Y511-N516 PolarHBondContact O-N 3.39Å; N516-Q518 VanDerWaalsContact C-N 3.31Å; N516-Q518 PolarHBondContact O-N 3.12Å; N516-D519 PolarHBondContact ND2-OD2 2.91Å; N516-D519 PolarHBondContact OD1-N 3.29Å; N516-D519 VanDerWaalsContact OD1-N 3.12Å; N516-C520 WeakPolarHBondContact O-CB 3.3Å; N516-C520 PolarHBondContact O-N 3.41Å
517	S	94.8	Very high	95.2	Very high	10 Å²	10	39.9 Å²	39.9	7%	0.07	20%	0.203	C	C	.	.	H	α-helix	trans	-72	-26.1	-175	-57.2	0	0	0	0	112.3	G515 I521 T547	G515-S517 VanDerWaalsContact C-N 3.27Å; G515-S517 PolarHBondContact O-N 2.93Å; G515-S517 PolarHBondContact O-OG 3.2Å; G515-S517 VanDerWaalsContact O-OG 3.12Å; S517-I521 WeakPolarHBondContact O-CD1 3.24Å; S517-I521 VanDerWaalsContact O-CG1 3.26Å; S517-I521 WeakPolarHBondContact O-CG1 3.41Å; S517-I521 PolarHBondContact O-N 2.88Å; S517-I521 VanDerWaalsContact O-N 3.08Å; S517-T547 WeakPolarHBondContact CB-OG1 3.38Å; S517-T547 PolarHBondContact OG-OG1 3.14Å
518	Q	95.4	Very high	95.1	Very high	98 Å²	98	39.4 Å²	39.4	46%	0.458	20%	0.203	S	C	.	.	H	α-helix	trans	-74.9	-40.3	-177.1	-178.7	61.1	15.6	0	0	112.8	N516 I521 Q522	N516-Q518 VanDerWaalsContact C-N 3.31Å; N516-Q518 PolarHBondContact O-N 3.12Å; Q518-I521 PolarHBondContact O-N 3.16Å; Q518-Q522 PolarHBondContact O-N 3.28Å; Q518-Q522 PolarHBondContact O-NE2 3.08Å; Q518-Q522 VanDerWaalsContact O-NE2 3.11Å
519	D	95.8	Very high	94.9	Very high	51 Å²	51	45.9 Å²	45.9	27%	0.273	23%	0.233	S	C	.	.	H	α-helix	trans	-76.4	-31.2	174.7	-66	-24	0	0	0	111.6	Y511 N516 I521 Q522 D523	Y511-D519 HydrophobicContact CD1-CB 3.89Å; Y511-D519 HydrophobicContact CD2-CB 3.96Å; Y511-D519 HydrophobicContact CE1-CB 3.8Å; Y511-D519 HydrophobicContact CE2-CB 3.88Å; Y511-D519 HydrophobicContact CG-CB 3.98Å; N516-D519 PolarHBondContact ND2-OD2 2.91Å; N516-D519 PolarHBondContact OD1-N 3.29Å; N516-D519 VanDerWaalsContact OD1-N 3.12Å; D519-I521 VanDerWaalsContact C-N 3.33Å; D519-I521 PolarHBondContact O-N 3.29Å; D519-Q522 PolarHBondContact O-N 2.9Å; D519-Q522 PolarHBondContact OD1-NE2 3.07Å; D519-D523 PolarHBondContact O-N 3.46Å
520	C	96.9	Very high	94.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56	-45.2	167.9	-179.5	0	0	0	0	112.2	A508 N516 Q522 C524 A544	A508-C520 PolarHBondContact O-SG 3.16Å; N516-C520 WeakPolarHBondContact O-CB 3.3Å; N516-C520 PolarHBondContact O-N 3.41Å; C520-Q522 PolarHBondContact O-N 3.17Å; C520-C524 VanDerWaalsContact O-CB 3.3Å; C520-C524 WeakPolarHBondContact O-CB 3.41Å; C520-C524 PolarHBondContact O-N 3.2Å; C520-C524 PolarHBondContact O-SG 2.96Å; C520-A544 HydrophobicContact CB-CB 4.13Å
521	I	96.9	Very high	94.4	Very high	11 Å²	11	50.4 Å²	50.4	6%	0.056	26%	0.255	C	S	.	.	H	α-helix	trans	-64.1	-39.7	177.8	-71.9	157.8	0	0	0	111.7	S517 Q518 D519 T525 R541 A544 Y545 L548	S517-I521 WeakPolarHBondContact O-CD1 3.24Å; S517-I521 VanDerWaalsContact O-CG1 3.26Å; S517-I521 WeakPolarHBondContact O-CG1 3.41Å; S517-I521 PolarHBondContact O-N 2.88Å; S517-I521 VanDerWaalsContact O-N 3.08Å; Q518-I521 PolarHBondContact O-N 3.16Å; D519-I521 VanDerWaalsContact C-N 3.33Å; D519-I521 PolarHBondContact O-N 3.29Å; I521-T525 VanDerWaalsContact O-CB 3.29Å; I521-T525 WeakPolarHBondContact O-CB 2.98Å; I521-T525 PolarHBondContact O-N 3.39Å; I521-T525 PolarHBondContact O-OG1 3.17Å; I521-R541 HydrophobicContact CG1-CG 4.22Å; I521-R541 HydrophobicContact CG2-CG 4.4Å; I521-A544 HydrophobicContact CD1-CB 4.12Å; I521-A544 HydrophobicContact CG1-CB 3.67Å; I521-Y545 HydrophobicContact CD1-CD1 3.5Å; I521-Y545 VanDerWaalsContact CD1-CD1 3.5Å; I521-Y545 HydrophobicContact CD1-CE1 3.56Å; I521-Y545 HydrophobicContact CD1-CG 4.47Å; I521-Y545 HydrophobicContact CG1-CD1 4.05Å; I521-Y545 HydrophobicContact CG1-CE1 3.91Å; I521-Y545 HydrophobicContact CG2-CE1 3.83Å; I521-L548 HydrophobicContact CD1-CD1 3.58Å
522	Q	96.3	Very high	94.2	Very high	74 Å²	74	52.5 Å²	52.5	35%	0.346	27%	0.273	S	S	.	.	H	α-helix	trans	-63.4	-53.3	177.9	-73.1	166.7	72.2	0	0	111.4	Q518 D519 C520 C524 T525 R526	Q518-Q522 PolarHBondContact O-N 3.28Å; Q518-Q522 PolarHBondContact O-NE2 3.08Å; Q518-Q522 VanDerWaalsContact O-NE2 3.11Å; D519-Q522 PolarHBondContact O-N 2.9Å; D519-Q522 PolarHBondContact OD1-NE2 3.07Å; C520-Q522 PolarHBondContact O-N 3.17Å; Q522-C524 PolarHBondContact O-N 3.21Å; Q522-T525 PolarHBondContact O-N 2.79Å; Q522-T525 VanDerWaalsContact O-N 3.1Å; Q522-R526 PolarHBondContact O-N 3.42Å
523	D	96.5	Very high	93.9	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-66.5	-36.1	-179.7	-86.1	-0.5	0	0	0	112.5	Y504 R507 A508 D519 T525 R526 A527	Y504-D523 HydrophobicContact CD1-CB 4.31Å; Y504-D523 WeakPolarHBondContact CD1-OD1 3.37Å; R507-D523 IonicContact CZ-OD1 3.86Å; R507-D523 IonicContact CZ-OD2 3.28Å; R507-D523 VanDerWaalsContact CZ-OD2 3.28Å; R507-D523 IonicContact NE-OD2 2.69Å; R507-D523 PolarHBondContact NE-OD2 3.12Å; R507-D523 VanDerWaalsContact NH2-CG 3.34Å; R507-D523 IonicContact NH2-OD1 2.86Å; R507-D523 PolarHBondContact NH2-OD1 3.05Å; R507-D523 IonicContact NH2-OD2 3.02Å; R507-D523 PolarHBondContact NH2-OD2 2.82Å; A508-D523 HydrophobicContact CB-CB 3.92Å; D519-D523 PolarHBondContact O-N 3.46Å; D523-T525 VanDerWaalsContact C-N 3.28Å; D523-T525 PolarHBondContact O-N 2.98Å; D523-R526 IonicContact OD1-NH1 3.5Å; D523-R526 PolarHBondContact OD1-NH1 2.78Å; D523-A527 VanDerWaalsContact O-CB 3.31Å; D523-A527 WeakPolarHBondContact O-CB 3.31Å; D523-A527 PolarHBondContact O-N 3.36Å
524	C	96.9	Very high	93.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.9	-29.8	172.3	-67.7	0	0	0	0	112.8	A508 C520 Q522 L528 P537 R540 R541	A508-C524 WeakPolarHBondContact CB-SG 3.43Å; C520-C524 VanDerWaalsContact O-CB 3.3Å; C520-C524 WeakPolarHBondContact O-CB 3.41Å; C520-C524 PolarHBondContact O-N 3.2Å; C520-C524 PolarHBondContact O-SG 2.96Å; Q522-C524 PolarHBondContact O-N 3.21Å; C524-L528 WeakPolarHBondContact O-CD1 3.47Å; C524-L528 VanDerWaalsContact O-CG 3.28Å; C524-L528 WeakPolarHBondContact O-CG 3.44Å; C524-L528 PolarHBondContact O-N 3.16Å; C524-P537 HydrophobicContact CB-CB 4.32Å; C524-R540 VanDerWaalsContact SG-CB 3.52Å; C524-R541 HydrophobicContact CB-CB 3.75Å; C524-R541 HydrophobicContact CB-CG 4.24Å
525	T	96.4	Very high	93.7	Very high	37 Å²	37	44.8 Å²	44.8	23%	0.227	24%	0.237	C	C	.	.	H	α-helix	trans	-75.5	-44.5	177.5	-57.3	0	0	0	0	110.5	I521 Q522 D523 A527 L528 E529 R541	I521-T525 VanDerWaalsContact O-CB 3.29Å; I521-T525 WeakPolarHBondContact O-CB 2.98Å; I521-T525 PolarHBondContact O-N 3.39Å; I521-T525 PolarHBondContact O-OG1 3.17Å; Q522-T525 PolarHBondContact O-N 2.79Å; Q522-T525 VanDerWaalsContact O-N 3.1Å; D523-T525 VanDerWaalsContact C-N 3.28Å; D523-T525 PolarHBondContact O-N 2.98Å; T525-A527 VanDerWaalsContact C-N 3.3Å; T525-A527 PolarHBondContact O-N 3.39Å; T525-L528 CarbonylContact O-C 3.57Å; T525-L528 WeakPolarHBondContact O-CA 3.31Å; T525-L528 PolarHBondContact O-N 3.33Å; T525-E529 WeakPolarHBondContact O-CG 3.37Å; T525-E529 PolarHBondContact O-N 3.48Å; T525-R541 WeakPolarHBondContact OG1-CD 3.23Å; T525-R541 PolarHBondContact OG1-NH1 2.94Å
526	R	95.5	Very high	93.9	Very high	100 Å²	100	48.7 Å²	48.7	38%	0.377	24%	0.241	S	C	.	.	H	α-helix	trans	-55	-43.4	169.2	-70.2	179	179.3	129.7	0.1	112.8	Y504 Q522 D523 L528 E529 L530	Y504-R526 HydrophobicContact CD2-CB 4.26Å; Y504-R526 HydrophobicContact CE2-CB 4.31Å; Y504-R526 HydrophobicContact CG-CB 4.42Å; Q522-R526 PolarHBondContact O-N 3.42Å; D523-R526 IonicContact OD1-NH1 3.5Å; D523-R526 PolarHBondContact OD1-NH1 2.78Å; R526-L528 PolarHBondContact O-N 3.33Å; R526-E529 WeakPolarHBondContact CA-OE2 3.48Å; R526-E529 PolarHBondContact O-N 2.84Å; R526-L530 WeakPolarHBondContact O-CG 3.48Å; R526-L530 PolarHBondContact O-N 3.22Å; R526-L530 VanDerWaalsContact O-N 3.08Å
527	A	95.1	Very high	94	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.4	-30.2	176.2	0	0	0	0	0	113	C501 D523 T525 Q531 P537	C501-A527 PolarHBondContact SG-O 3.11Å; D523-A527 VanDerWaalsContact O-CB 3.31Å; D523-A527 WeakPolarHBondContact O-CB 3.31Å; D523-A527 PolarHBondContact O-N 3.36Å; T525-A527 VanDerWaalsContact C-N 3.3Å; T525-A527 PolarHBondContact O-N 3.39Å; A527-Q531 PolarHBondContact O-N 3.05Å; A527-P537 HydrophobicContact CB-CB 3.97Å; A527-P537 HydrophobicContact CB-CG 3.6Å
528	L	93.9	Very high	94	Very high	21 Å²	21	46.1 Å²	46.1	11%	0.11	23%	0.226	C	C	.	.	H	α-helix	trans	-88.4	-21.5	177.7	-70.4	165.9	0	0	0	114.1	C524 T525 R526 L530 Q531 P532 P537 L538	C524-L528 WeakPolarHBondContact O-CD1 3.47Å; C524-L528 VanDerWaalsContact O-CG 3.28Å; C524-L528 WeakPolarHBondContact O-CG 3.44Å; C524-L528 PolarHBondContact O-N 3.16Å; T525-L528 CarbonylContact O-C 3.57Å; T525-L528 WeakPolarHBondContact O-CA 3.31Å; T525-L528 PolarHBondContact O-N 3.33Å; R526-L528 PolarHBondContact O-N 3.33Å; L528-L530 VanDerWaalsContact C-N 3.34Å; L528-Q531 CarbonylContact O-C 3.58Å; L528-P532 WeakPolarHBondContact O-CA 3.4Å; L528-P537 HydrophobicContact CD1-CB 3.98Å; L528-P537 HydrophobicContact CD2-CB 3.94Å; L528-P537 HydrophobicContact CG-CB 3.64Å; L528-P537 HydrophobicContact CG-CG 4.5Å; L528-L538 HydrophobicContact CD1-CD2 3.64Å; L528-L538 HydrophobicContact CD1-CG 3.9Å; L528-L538 HydrophobicContact CD2-CD1 4.5Å; L528-L538 HydrophobicContact CD2-CD2 4.28Å; L528-L538 HydrophobicContact CD2-CG 3.85Å
529	E	93.9	Very high	94	Very high	137 Å²	137	43.5 Å²	43.5	64%	0.64	22%	0.215	S	C	*	.	H	α-helix	trans	-66.8	-38.2	165.1	-70.1	159.6	-176.8	0	0	110.4	T525 R526	T525-E529 WeakPolarHBondContact O-CG 3.37Å; T525-E529 PolarHBondContact O-N 3.48Å; R526-E529 WeakPolarHBondContact CA-OE2 3.48Å; R526-E529 PolarHBondContact O-N 2.84Å
530	L	91	Very high	94	Very high	62 Å²	62	43.2 Å²	43.2	33%	0.325	21%	0.21	S	C	.	.	H	α-helix	trans	-76.7	-45.9	176.2	-67.8	166.7	0	0	0	113.5	P497 L500 C501 Y504 R526 L528	P497-L530 HydrophobicContact CB-CB 4.48Å; P497-L530 HydrophobicContact CB-CD2 4.15Å; L500-L530 HydrophobicContact CB-CD1 4.03Å; L500-L530 HydrophobicContact CD2-CD1 3.73Å; L500-L530 HydrophobicContact CD2-CD2 4.2Å; L500-L530 HydrophobicContact CG-CD1 3.63Å; C501-L530 HydrophobicContact CB-CB 4.24Å; Y504-L530 HydrophobicContact CD2-CD1 3.81Å; Y504-L530 HydrophobicContact CE2-CD1 3.97Å; R526-L530 WeakPolarHBondContact O-CG 3.48Å; R526-L530 PolarHBondContact O-N 3.22Å; R526-L530 VanDerWaalsContact O-N 3.08Å; L528-L530 VanDerWaalsContact C-N 3.34Å
531	Q	89.8	Confident	94	Very high	39 Å²	39	45 Å²	45	18%	0.182	22%	0.217	C	C	.	.	S	Bend	trans	-132.7	89.6	179.8	-166.3	-173.4	44.1	0	0	110.1	E498 C501 A527 L528 S534	E498-Q531 PolarHBondContact OE1-NE2 3.4Å; C501-Q531 HydrophobicContact CB-CB 4.04Å; A527-Q531 PolarHBondContact O-N 3.05Å; L528-Q531 CarbonylContact O-C 3.58Å; Q531-S534 VanDerWaalsContact O-CB 3.29Å; Q531-S534 WeakPolarHBondContact O-CB 3.35Å; Q531-S534 PolarHBondContact O-N 3.28Å; Q531-S534 VanDerWaalsContact OE1-CB 3.3Å; Q531-S534 PolarHBondContact OE1-OG 3.45Å
532	P	90.4	Very high	94	Very high	84 Å²	84	44.5 Å²	44.5	55%	0.545	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	144.8	175.5	-28.5	36.1	0	0	0	112.4	L528 S534	L528-P532 WeakPolarHBondContact O-CA 3.4Å; P532-S534 PolarHBondContact O-N 2.9Å; P532-S534 VanDerWaalsContact O-N 3.16Å
533	F	88.9	Confident	94	Very high	55 Å²	55	44.8 Å²	44.8	24%	0.241	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	16.3	-179.4	-49.4	-74.2	0	0	0	115.7	L535 I564 V600 P601 A604	F533-L535 PolarHBondContact O-N 3.25Å; F533-I564 HydrophobicContact CB-CD1 4.09Å; F533-I564 HydrophobicContact CB-CG1 4.44Å; F533-I564 WeakPolarHBondContact O-CD1 3.39Å; F533-V600 HydrophobicContact CD1-CB 4.31Å; F533-V600 HydrophobicContact CD1-CG1 4.21Å; F533-V600 HydrophobicContact CD1-CG2 3.75Å; F533-V600 HydrophobicContact CE1-CB 4.41Å; F533-V600 HydrophobicContact CE1-CG2 3.91Å; F533-V600 HydrophobicContact CG-CG1 4.37Å; F533-P601 HydrophobicContact CD2-CG 4.46Å; F533-P601 HydrophobicContact CE2-CG 3.91Å; F533-P601 HydrophobicContact CZ-CG 4.43Å; F533-A604 HydrophobicContact CB-CB 3.73Å; F533-A604 HydrophobicContact CD2-CB 4.27Å; F533-A604 HydrophobicContact CG-CB 4.19Å
534	S	90.1	Very high	94	Very high	21 Å²	21	44.6 Å²	44.6	15%	0.147	22%	0.215	C	C	.	.			trans	-64.1	119.3	173.5	-166.7	0	0	0	0	111.6	Q531 P532 K536 P537 L538	Q531-S534 VanDerWaalsContact O-CB 3.29Å; Q531-S534 WeakPolarHBondContact O-CB 3.35Å; Q531-S534 PolarHBondContact O-N 3.28Å; Q531-S534 VanDerWaalsContact OE1-CB 3.3Å; Q531-S534 PolarHBondContact OE1-OG 3.45Å; P532-S534 PolarHBondContact O-N 2.9Å; P532-S534 VanDerWaalsContact O-N 3.16Å; S534-K536 PolarHBondContact O-N 3.07Å; S534-P537 WeakPolarHBondContact O-CD 3.44Å; S534-P537 WeakPolarHBondContact OG-CD 3.45Å; S534-L538 PolarHBondContact O-N 3.47Å
535	L	90.1	Very high	94	Very high	36 Å²	36	45.6 Å²	45.6	19%	0.188	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-38.1	-168.3	-168.1	73.7	0	0	0	113.6	F533 L539 V561 I564 D565 V568	F533-L535 PolarHBondContact O-N 3.25Å; L535-L539 WeakPolarHBondContact O-CB 3.12Å; L535-L539 PolarHBondContact O-N 3.07Å; L535-L539 VanDerWaalsContact O-N 3.11Å; L535-V561 HydrophobicContact CD1-CB 4.33Å; L535-V561 HydrophobicContact CD1-CG1 3.9Å; L535-V561 HydrophobicContact CD1-CG2 4.29Å; L535-I564 HydrophobicContact CD1-CB 4.01Å; L535-I564 HydrophobicContact CD1-CD1 4.24Å; L535-I564 HydrophobicContact CD1-CG2 3.93Å; L535-D565 HydrophobicContact CD1-CB 4.14Å; L535-D565 HydrophobicContact CD2-CB 4.27Å; L535-V568 HydrophobicContact CD2-CG2 4.47Å
536	K	92.9	Very high	93.9	Very high	132 Å²	132	45.5 Å²	45.5	57%	0.574	22%	0.216	S	C	*	.	H	α-helix	trans	-71.1	-50.5	-177.5	-72.1	172.1	-173.1	162.6	0	111.9	S534 R540	S534-K536 PolarHBondContact O-N 3.07Å; K536-R540 WeakPolarHBondContact O-CB 3.3Å; K536-R540 WeakPolarHBondContact O-CD 3.23Å; K536-R540 WeakPolarHBondContact O-CG 3.05Å; K536-R540 PolarHBondContact O-N 3.23Å
537	P	95.5	Very high	93.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-54.1	-47.4	170.1	-28.5	34.6	0	0	0	114.1	S505 C524 A527 L528 S534 L539 R540 R541	S505-P537 VanDerWaalsContact OG-CD 3.25Å; S505-P537 WeakPolarHBondContact OG-CD 3.47Å; S505-P537 WeakPolarHBondContact OG-CG 3.39Å; C524-P537 HydrophobicContact CB-CB 4.32Å; A527-P537 HydrophobicContact CB-CB 3.97Å; A527-P537 HydrophobicContact CB-CG 3.6Å; L528-P537 HydrophobicContact CD1-CB 3.98Å; L528-P537 HydrophobicContact CD2-CB 3.94Å; L528-P537 HydrophobicContact CG-CB 3.64Å; L528-P537 HydrophobicContact CG-CG 4.5Å; S534-P537 WeakPolarHBondContact O-CD 3.44Å; S534-P537 WeakPolarHBondContact OG-CD 3.45Å; P537-L539 PolarHBondContact O-N 3.1Å; P537-R540 PolarHBondContact O-N 3.29Å; P537-R541 WeakPolarHBondContact O-CB 3.45Å; P537-R541 PolarHBondContact O-N 2.81Å
538	L	95.3	Very high	93.9	Very high	7 Å²	7	48.2 Å²	48.2	4%	0.037	24%	0.241	C	C	.	.	H	α-helix	trans	-59.4	-49.2	-179.3	-78.5	170	0	0	0	112	L528 S534 R540 R541 A542 D557 V561 I564	L528-L538 HydrophobicContact CD1-CD2 3.64Å; L528-L538 HydrophobicContact CD1-CG 3.9Å; L528-L538 HydrophobicContact CD2-CD1 4.5Å; L528-L538 HydrophobicContact CD2-CD2 4.28Å; L528-L538 HydrophobicContact CD2-CG 3.85Å; S534-L538 PolarHBondContact O-N 3.47Å; L538-R540 VanDerWaalsContact C-N 3.35Å; L538-R540 PolarHBondContact O-N 2.95Å; L538-R541 PolarHBondContact O-N 3.16Å; L538-A542 WeakPolarHBondContact O-CB 3.4Å; L538-A542 PolarHBondContact O-N 3.43Å; L538-D557 HydrophobicContact CD2-CB 4.46Å; L538-D557 WeakPolarHBondContact CD2-OD1 3.32Å; L538-V561 HydrophobicContact CB-CG2 3.65Å; L538-I564 HydrophobicContact CD1-CD1 3.51Å
539	L	95.3	Very high	93.9	Very high	43 Å²	43	53.9 Å²	53.9	23%	0.225	27%	0.267	C	S	.	.	H	α-helix	trans	-63.4	-40.5	179.3	-172.4	69.2	0	0	0	112	L535 P537 A542 M543 Y558 V561 V568 A571	L535-L539 WeakPolarHBondContact O-CB 3.12Å; L535-L539 PolarHBondContact O-N 3.07Å; L535-L539 VanDerWaalsContact O-N 3.11Å; P537-L539 PolarHBondContact O-N 3.1Å; L539-A542 PolarHBondContact O-N 3Å; L539-M543 VanDerWaalsContact O-CG 3.3Å; L539-M543 WeakPolarHBondContact O-CG 3.39Å; L539-M543 PolarHBondContact O-N 3.14Å; L539-M543 VanDerWaalsContact O-N 3.09Å; L539-Y558 HydrophobicContact CD1-CD1 3.94Å; L539-Y558 HydrophobicContact CD1-CE1 3.71Å; L539-V561 HydrophobicContact CB-CG2 4.27Å; L539-V561 HydrophobicContact CD1-CG1 4.4Å; L539-V568 HydrophobicContact CD1-CG1 4.35Å; L539-V568 HydrophobicContact CD2-CG1 4.41Å; L539-A571 HydrophobicContact CD1-CB 4.5Å
540	R	96.5	Very high	93.9	Very high	45 Å²	45	52.5 Å²	52.5	17%	0.17	26%	0.256	C	S	.	.	H	α-helix	trans	-65.9	-39.5	177.3	-72.5	165.5	173.3	164.2	-12	111.7	S505 L512 C524 K536 P537 L538 A544	S505-R540 WeakPolarHBondContact O-CD 3.27Å; S505-R540 VanDerWaalsContact O-CZ 3.28Å; S505-R540 PolarHBondContact O-NH1 2.92Å; S505-R540 PolarHBondContact OG-NH1 3.41Å; L512-R540 HydrophobicContact CD2-CB 4.35Å; L512-R540 HydrophobicContact CD2-CG 4.33Å; C524-R540 VanDerWaalsContact SG-CB 3.52Å; K536-R540 WeakPolarHBondContact O-CB 3.3Å; K536-R540 WeakPolarHBondContact O-CD 3.23Å; K536-R540 WeakPolarHBondContact O-CG 3.05Å; K536-R540 PolarHBondContact O-N 3.23Å; P537-R540 PolarHBondContact O-N 3.29Å; L538-R540 VanDerWaalsContact C-N 3.35Å; L538-R540 PolarHBondContact O-N 2.95Å; R540-A544 WeakPolarHBondContact O-CB 3.43Å; R540-A544 PolarHBondContact O-N 2.71Å
541	R	97.1	Very high	94.1	Very high	39 Å²	39	51.1 Å²	51.1	15%	0.147	25%	0.247	C	C	.	.	H	α-helix	trans	-69.7	-40.5	175.5	-162.8	172.3	67.7	-171.8	-2.6	112.5	I521 C524 T525 P537 L538 M543 A544 Y545 D557	I521-R541 HydrophobicContact CG1-CG 4.22Å; I521-R541 HydrophobicContact CG2-CG 4.4Å; C524-R541 HydrophobicContact CB-CB 3.75Å; C524-R541 HydrophobicContact CB-CG 4.24Å; T525-R541 WeakPolarHBondContact OG1-CD 3.23Å; T525-R541 PolarHBondContact OG1-NH1 2.94Å; P537-R541 WeakPolarHBondContact O-CB 3.45Å; P537-R541 PolarHBondContact O-N 2.81Å; L538-R541 PolarHBondContact O-N 3.16Å; R541-M543 PolarHBondContact O-N 3.02Å; R541-A544 CarbonylContact O-C 3.36Å; R541-A544 PolarHBondContact O-N 3.07Å; R541-Y545 HydrophobicContact CG-CD2 4.05Å; R541-Y545 HydrophobicContact CG-CE2 3.66Å; R541-Y545 PolarHBondContact O-N 3.34Å; R541-D557 IonicContact CZ-OD1 3.44Å; R541-D557 IonicContact CZ-OD2 2.7Å; R541-D557 IonicContact NE-OD1 3.12Å; R541-D557 IonicContact NE-OD2 3.17Å; R541-D557 PolarHBondContact NE-OD2 3.34Å; R541-D557 IonicContact NH2-OD1 2.69Å; R541-D557 PolarHBondContact NH2-OD1 2.84Å; R541-D557 IonicContact NH2-OD2 3.5Å; R541-D557 PolarHBondContact NH2-OD2 3.16Å
542	A	96.6	Very high	94.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.3	-47.2	174.5	0	0	0	0	0	111.6	L538 L539 A544 Y545 E546 A554 D557 Y558	L538-A542 WeakPolarHBondContact O-CB 3.4Å; L538-A542 PolarHBondContact O-N 3.43Å; L539-A542 PolarHBondContact O-N 3Å; A542-A544 PolarHBondContact O-N 2.7Å; A542-Y545 PolarHBondContact O-N 3.17Å; A542-E546 PolarHBondContact O-N 3.49Å; A542-A554 WeakPolarHBondContact O-CB 3.29Å; A542-D557 HydrophobicContact CB-CB 3.65Å; A542-Y558 HydrophobicContact CB-CD1 3.6Å; A542-Y558 HydrophobicContact CB-CD2 3.79Å; A542-Y558 HydrophobicContact CB-CE1 3.57Å; A542-Y558 HydrophobicContact CB-CE2 3.74Å; A542-Y558 HydrophobicContact CB-CG 3.71Å
543	M	96.3	Very high	94.5	Very high	79 Å²	79	53.5 Å²	53.5	39%	0.389	25%	0.246	S	C	.	.	H	α-helix	trans	-61.7	-40.8	174.7	-69.3	175.9	71.6	0	0	112.3	L512 L539 R541 Y545 E546 T547 Y558	L512-M543 HydrophobicContact CD1-CB 4.15Å; L512-M543 HydrophobicContact CD2-CB 4.02Å; L512-M543 HydrophobicContact CD2-CE 4.14Å; L512-M543 HydrophobicContact CD2-SD 4.06Å; L539-M543 VanDerWaalsContact O-CG 3.3Å; L539-M543 WeakPolarHBondContact O-CG 3.39Å; L539-M543 PolarHBondContact O-N 3.14Å; L539-M543 VanDerWaalsContact O-N 3.09Å; R541-M543 PolarHBondContact O-N 3.02Å; M543-Y545 VanDerWaalsContact C-N 3.34Å; M543-E546 WeakPolarHBondContact O-CB 3.37Å; M543-E546 PolarHBondContact O-N 3.15Å; M543-T547 PolarHBondContact O-N 3.2Å; M543-T547 PolarHBondContact O-OG1 2.94Å; M543-Y558 HydrophobicContact CG-CE1 4.46Å; M543-Y558 WeakPolarHBondContact CG-OH 3.25Å
544	A	96.8	Very high	94.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-72.4	-24.1	177.7	0	0	0	0	0	113.9	L512 C520 I521 R540 R541 A542 T547 L548	L512-A544 HydrophobicContact CD1-CB 4.2Å; C520-A544 HydrophobicContact CB-CB 4.13Å; I521-A544 HydrophobicContact CD1-CB 4.12Å; I521-A544 HydrophobicContact CG1-CB 3.67Å; R540-A544 WeakPolarHBondContact O-CB 3.43Å; R540-A544 PolarHBondContact O-N 2.71Å; R541-A544 CarbonylContact O-C 3.36Å; R541-A544 PolarHBondContact O-N 3.07Å; A542-A544 PolarHBondContact O-N 2.7Å; A544-T547 WeakPolarHBondContact CA-OG1 3.28Å; A544-T547 PolarHBondContact O-OG1 3.46Å; A544-L548 WeakPolarHBondContact O-CG 3.27Å
545	Y	96.7	Very high	95.1	Very high	21 Å²	21	51 Å²	51	8%	0.082	23%	0.231	C	C	.	.	H	α-helix	trans	-77.2	-33.2	166.8	-74.5	-36.8	0	0	0	111.8	I521 R541 A542 M543 L548 E549 R550 K553 D557	I521-Y545 HydrophobicContact CD1-CD1 3.5Å; I521-Y545 VanDerWaalsContact CD1-CD1 3.5Å; I521-Y545 HydrophobicContact CD1-CE1 3.56Å; I521-Y545 HydrophobicContact CD1-CG 4.47Å; I521-Y545 HydrophobicContact CG1-CD1 4.05Å; I521-Y545 HydrophobicContact CG1-CE1 3.91Å; I521-Y545 HydrophobicContact CG2-CE1 3.83Å; R541-Y545 HydrophobicContact CG-CD2 4.05Å; R541-Y545 HydrophobicContact CG-CE2 3.66Å; R541-Y545 PolarHBondContact O-N 3.34Å; A542-Y545 PolarHBondContact O-N 3.17Å; M543-Y545 VanDerWaalsContact C-N 3.34Å; Y545-L548 CarbonylContact O-C 3.55Å; Y545-L548 PolarHBondContact O-N 2.88Å; Y545-E549 PolarHBondContact O-N 3.19Å; Y545-R550 HydrophobicContact CD1-CB 4.13Å; Y545-R550 HydrophobicContact CG-CB 4.41Å; Y545-R550 PolarHBondContact O-N 3.16Å; Y545-K553 HydrophobicContact CD1-CB 4.39Å; Y545-K553 HydrophobicContact CD2-CB 3.54Å; Y545-K553 HydrophobicContact CE1-CD 4.27Å; Y545-K553 HydrophobicContact CE2-CB 3.68Å; Y545-K553 HydrophobicContact CE2-CD 4.22Å; Y545-K553 HydrophobicContact CG-CB 3.92Å; Y545-D557 WeakPolarHBondContact CE2-OD2 3.49Å
546	E	95.3	Very high	95.3	Very high	34 Å²	34	49.9 Å²	49.9	16%	0.159	23%	0.227	C	C	.	.	H	α-helix	trans	-65.7	-42.5	174.7	-164.8	177.7	162.6	0	0	111.6	A542 M543 L548 E549 A554 Y558 S574 R577 I578	A542-E546 PolarHBondContact O-N 3.49Å; M543-E546 WeakPolarHBondContact O-CB 3.37Å; M543-E546 PolarHBondContact O-N 3.15Å; E546-L548 PolarHBondContact O-N 3.22Å; E546-E549 PolarHBondContact O-N 3.48Å; E546-E549 VanDerWaalsContact O-N 3.13Å; E546-A554 HydrophobicContact CB-CB 4.39Å; E546-Y558 WeakPolarHBondContact OE2-CE2 3.42Å; E546-Y558 PolarHBondContact OE2-OH 2.8Å; E546-S574 PolarHBondContact OE1-OG 3.05Å; E546-S574 WeakPolarHBondContact OE2-CB 3.34Å; E546-S574 PolarHBondContact OE2-OG 3.18Å; E546-R577 WeakPolarHBondContact OE1-CD 3.48Å; E546-R577 IonicContact OE1-CZ 3Å; E546-R577 IonicContact OE1-NE 2.85Å; E546-R577 IonicContact OE1-NH1 3.44Å; E546-R577 PolarHBondContact OE1-NH1 3.21Å; E546-R577 IonicContact OE2-NH1 2.72Å; E546-I578 HydrophobicContact CG-CD1 4.34Å
547	T	94.7	Very high	95.4	Very high	86 Å²	86	44 Å²	44	53%	0.528	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-15.3	175.1	51.4	0	0	0	0	114.8	S517 M543 A544	S517-T547 WeakPolarHBondContact CB-OG1 3.38Å; S517-T547 PolarHBondContact OG-OG1 3.14Å; M543-T547 PolarHBondContact O-N 3.2Å; M543-T547 PolarHBondContact O-OG1 2.94Å; A544-T547 WeakPolarHBondContact CA-OG1 3.28Å; A544-T547 PolarHBondContact O-OG1 3.46Å
548	L	94.4	Very high	95.5	Very high	71 Å²	71	44.2 Å²	44.2	37%	0.372	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	12.2	172.6	-65.9	179.3	0	0	0	112.6	I521 A544 Y545 E546 R550	I521-L548 HydrophobicContact CD1-CD1 3.58Å; A544-L548 WeakPolarHBondContact O-CG 3.27Å; Y545-L548 CarbonylContact O-C 3.55Å; Y545-L548 PolarHBondContact O-N 2.88Å; E546-L548 PolarHBondContact O-N 3.22Å; L548-R550 HydrophobicContact CB-CG 3.96Å; L548-R550 WeakPolarHBondContact O-CG 3.48Å; L548-R550 PolarHBondContact O-N 3.39Å
549	E	93.7	Very high	95.4	Very high	141 Å²	141	47 Å²	47	66%	0.659	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	19.3	-178.8	-49.5	-164.8	143.8	0	0	114.5	Y545 E546 Y551	Y545-E549 PolarHBondContact O-N 3.19Å; E546-E549 PolarHBondContact O-N 3.48Å; E546-E549 VanDerWaalsContact O-N 3.13Å; E549-Y551 HydrophobicContact CB-CD2 4.44Å; E549-Y551 HydrophobicContact CB-CE2 3.73Å; E549-Y551 HydrophobicContact CG-CE2 4.38Å; E549-Y551 WeakPolarHBondContact O-CD2 3.46Å; E549-Y551 PolarHBondContact O-N 2.81Å
550	R	94.5	Very high	95.3	Very high	108 Å²	108	45 Å²	45	41%	0.408	20%	0.204	S	C	.	.			trans	-83.3	50.1	-179.5	-55.6	-176.8	75.4	176.5	8.6	110.6	Y545 L548 R552 K553 A554	Y545-R550 HydrophobicContact CD1-CB 4.13Å; Y545-R550 HydrophobicContact CG-CB 4.41Å; Y545-R550 PolarHBondContact O-N 3.16Å; L548-R550 HydrophobicContact CB-CG 3.96Å; L548-R550 WeakPolarHBondContact O-CG 3.48Å; L548-R550 PolarHBondContact O-N 3.39Å; R550-R552 VanDerWaalsContact C-N 3.28Å; R550-R552 PolarHBondContact O-N 2.97Å; R550-R552 VanDerWaalsContact O-N 3.09Å; R550-K553 PolarHBondContact O-N 2.76Å; R550-A554 PolarHBondContact O-N 3.22Å; R550-A554 VanDerWaalsContact O-N 3.17Å
551	Y	95.1	Very high	95.2	Very high	33 Å²	33	42.9 Å²	42.9	13%	0.129	20%	0.196	C	C	.	.	H	α-helix	trans	-49.5	-40.5	-166.5	-63.7	-54.4	0	0	0	114.4	E549 K553 A554 Y555 I578 L581	E549-Y551 HydrophobicContact CB-CD2 4.44Å; E549-Y551 HydrophobicContact CB-CE2 3.73Å; E549-Y551 HydrophobicContact CG-CE2 4.38Å; E549-Y551 WeakPolarHBondContact O-CD2 3.46Å; E549-Y551 PolarHBondContact O-N 2.81Å; Y551-K553 PolarHBondContact O-N 2.6Å; Y551-A554 PolarHBondContact O-N 3.28Å; Y551-Y555 WeakPolarHBondContact O-CB 3.33Å; Y551-Y555 PolarHBondContact O-N 3.09Å; Y551-I578 HydrophobicContact CD1-CG1 4.2Å; Y551-L581 HydrophobicContact CD1-CD1 4.13Å; Y551-L581 HydrophobicContact CE1-CD1 3.7Å; Y551-L581 HydrophobicContact CE2-CD1 4.41Å
552	R	93.8	Very high	95	Very high	76 Å²	76	41.8 Å²	41.8	29%	0.287	19%	0.193	S	C	.	.	H	α-helix	trans	-57.4	-43.1	175.7	-57.9	-174.5	-169.2	-61.8	-8.7	113.1	R550 V556 L582 D586 K593	R550-R552 VanDerWaalsContact C-N 3.28Å; R550-R552 PolarHBondContact O-N 2.97Å; R550-R552 VanDerWaalsContact O-N 3.09Å; R552-V556 WeakPolarHBondContact O-CG2 3.46Å; R552-V556 PolarHBondContact O-N 2.97Å; R552-L582 HydrophobicContact CG-CD2 4.01Å; R552-D586 IonicContact CZ-OD2 3.6Å; R552-D586 IonicContact NH1-OD2 2.93Å; R552-D586 PolarHBondContact NH1-OD2 3.39Å; R552-D586 IonicContact NH2-OD1 2.74Å; R552-D586 PolarHBondContact NH2-OD1 3.15Å; R552-D586 IonicContact NH2-OD2 3.56Å; R552-D586 PolarHBondContact NH2-OD2 2.81Å; R552-K593 VanDerWaalsContact CD-O 3.31Å; R552-K593 WeakPolarHBondContact CD-O 3.44Å; R552-K593 PolarHBondContact NH1-O 3.11Å
553	K	94.4	Very high	94.7	Very high	96 Å²	96	44.7 Å²	44.7	42%	0.417	21%	0.206	S	C	.	.	H	α-helix	trans	-76.9	-38.6	-179.7	-64.3	-158.9	172.7	-156.8	0	111.8	Y545 R550 Y551 Y555 V556 D557	Y545-K553 HydrophobicContact CD1-CB 4.39Å; Y545-K553 HydrophobicContact CD2-CB 3.54Å; Y545-K553 HydrophobicContact CE1-CD 4.27Å; Y545-K553 HydrophobicContact CE2-CB 3.68Å; Y545-K553 HydrophobicContact CE2-CD 4.22Å; Y545-K553 HydrophobicContact CG-CB 3.92Å; R550-K553 PolarHBondContact O-N 2.76Å; Y551-K553 PolarHBondContact O-N 2.6Å; K553-Y555 VanDerWaalsContact C-N 3.31Å; K553-Y555 PolarHBondContact O-N 3.43Å; K553-V556 PolarHBondContact O-N 3.26Å; K553-D557 PolarHBondContact O-N 3.05Å; K553-D557 VanDerWaalsContact O-N 3.07Å
554	A	96.2	Very high	94.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.2	-43.5	171.4	0	0	0	0	0	111.5	A542 E546 R550 Y551 V556 D557 Y558 I578	A542-A554 WeakPolarHBondContact O-CB 3.29Å; E546-A554 HydrophobicContact CB-CB 4.39Å; R550-A554 PolarHBondContact O-N 3.22Å; R550-A554 VanDerWaalsContact O-N 3.17Å; Y551-A554 PolarHBondContact O-N 3.28Å; A554-V556 PolarHBondContact O-N 3.42Å; A554-D557 PolarHBondContact O-N 3.31Å; A554-Y558 HydrophobicContact CB-CD2 4.34Å; A554-Y558 HydrophobicContact CB-CE2 4.23Å; A554-Y558 WeakPolarHBondContact O-CD2 3.14Å; A554-Y558 PolarHBondContact O-N 2.96Å; A554-I578 HydrophobicContact CB-CD1 3.79Å
555	Y	95.4	Very high	93.8	Very high	23 Å²	23	42.8 Å²	42.8	9%	0.09	20%	0.197	C	C	.	.	H	α-helix	trans	-59.4	-45.4	177.5	-172.9	-93.8	0	0	0	112.5	Y551 K553 K559 V575 I578 L582 W590 L594 I597	Y551-Y555 WeakPolarHBondContact O-CB 3.33Å; Y551-Y555 PolarHBondContact O-N 3.09Å; K553-Y555 VanDerWaalsContact C-N 3.31Å; K553-Y555 PolarHBondContact O-N 3.43Å; Y555-K559 HydrophobicContact CD1-CG 4.12Å; Y555-K559 HydrophobicContact CE1-CG 3.72Å; Y555-K559 HydrophobicContact CE2-CG 4.48Å; Y555-K559 WeakPolarHBondContact O-CB 3.37Å; Y555-K559 WeakPolarHBondContact O-CG 3.44Å; Y555-K559 PolarHBondContact O-N 3.19Å; Y555-K559 WeakPolarHBondContact OH-CE 3.46Å; Y555-V575 HydrophobicContact CE2-CG1 3.93Å; Y555-I578 HydrophobicContact CD2-CG2 4.02Å; Y555-I578 HydrophobicContact CG-CG2 4.45Å; Y555-L582 HydrophobicContact CD2-CD1 4.49Å; Y555-L582 HydrophobicContact CG-CD1 4.42Å; Y555-W590 HydrophobicContact CD2-CZ3 4.41Å; Y555-W590 HydrophobicContact CE1-CH2 4.35Å; Y555-W590 HydrophobicContact CE1-CZ3 4.2Å; Y555-W590 AromaticContact CE2-CH2 3.91Å; Y555-W590 HydrophobicContact CE2-CH2 3.91Å; Y555-W590 HydrophobicContact CE2-CZ3 4.04Å; Y555-W590 AromaticContact CZ-CH2 3.72Å; Y555-W590 AromaticContact CZ-CZ3 3.94Å; Y555-L594 HydrophobicContact CD1-CD1 3.92Å; Y555-L594 HydrophobicContact CD1-CD2 4.01Å; Y555-L594 HydrophobicContact CE1-CD1 3.75Å; Y555-L594 HydrophobicContact CG-CD2 4.49Å; Y555-I597 HydrophobicContact CE1-CD1 4.26Å
556	V	94.8	Very high	93.4	Very high	14 Å²	14	48 Å²	48	9%	0.085	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-51	176.5	173.9	0	0	0	0	110.8	R552 K553 A554 Y558 K559 T560 P595 I597	R552-V556 WeakPolarHBondContact O-CG2 3.46Å; R552-V556 PolarHBondContact O-N 2.97Å; K553-V556 PolarHBondContact O-N 3.26Å; A554-V556 PolarHBondContact O-N 3.42Å; V556-Y558 PolarHBondContact O-N 2.95Å; V556-K559 PolarHBondContact O-N 3.39Å; V556-K559 VanDerWaalsContact O-N 3.14Å; V556-T560 WeakPolarHBondContact O-CG2 3.49Å; V556-T560 PolarHBondContact O-N 3.26Å; V556-P595 HydrophobicContact CG2-CB 4.25Å; V556-P595 HydrophobicContact CG2-CG 4.29Å; V556-I597 HydrophobicContact CG2-CG1 4.27Å
557	D	95.4	Very high	92.9	Very high	9 Å²	9	50.5 Å²	50.5	5%	0.048	25%	0.246	C	C	.	.	H	α-helix	trans	-62.7	-42	179.5	-77.9	-20.2	0	0	0	112.2	L538 R541 A542 Y545 K553 A554 K559 T560 V561	L538-D557 HydrophobicContact CD2-CB 4.46Å; L538-D557 WeakPolarHBondContact CD2-OD1 3.32Å; R541-D557 IonicContact CZ-OD1 3.44Å; R541-D557 IonicContact CZ-OD2 2.7Å; R541-D557 IonicContact NE-OD1 3.12Å; R541-D557 IonicContact NE-OD2 3.17Å; R541-D557 PolarHBondContact NE-OD2 3.34Å; R541-D557 IonicContact NH2-OD1 2.69Å; R541-D557 PolarHBondContact NH2-OD1 2.84Å; R541-D557 IonicContact NH2-OD2 3.5Å; R541-D557 PolarHBondContact NH2-OD2 3.16Å; A542-D557 HydrophobicContact CB-CB 3.65Å; Y545-D557 WeakPolarHBondContact CE2-OD2 3.49Å; K553-D557 PolarHBondContact O-N 3.05Å; K553-D557 VanDerWaalsContact O-N 3.07Å; A554-D557 PolarHBondContact O-N 3.31Å; D557-K559 VanDerWaalsContact C-N 3.33Å; D557-K559 PolarHBondContact O-N 3.49Å; D557-T560 PolarHBondContact O-N 2.84Å; D557-T560 PolarHBondContact O-OG1 3.15Å; D557-V561 WeakPolarHBondContact O-CG2 3.43Å; D557-V561 PolarHBondContact O-N 3.07Å
558	Y	96.6	Very high	92.7	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-66.3	-32.5	174.2	-71.6	-60.7	0	0	0	112.7	L539 A542 M543 E546 A554 V556 V561 L562 A571 S574 I578	L539-Y558 HydrophobicContact CD1-CD1 3.94Å; L539-Y558 HydrophobicContact CD1-CE1 3.71Å; A542-Y558 HydrophobicContact CB-CD1 3.6Å; A542-Y558 HydrophobicContact CB-CD2 3.79Å; A542-Y558 HydrophobicContact CB-CE1 3.57Å; A542-Y558 HydrophobicContact CB-CE2 3.74Å; A542-Y558 HydrophobicContact CB-CG 3.71Å; M543-Y558 HydrophobicContact CG-CE1 4.46Å; M543-Y558 WeakPolarHBondContact CG-OH 3.25Å; E546-Y558 WeakPolarHBondContact OE2-CE2 3.42Å; E546-Y558 PolarHBondContact OE2-OH 2.8Å; A554-Y558 HydrophobicContact CB-CD2 4.34Å; A554-Y558 HydrophobicContact CB-CE2 4.23Å; A554-Y558 WeakPolarHBondContact O-CD2 3.14Å; A554-Y558 PolarHBondContact O-N 2.96Å; V556-Y558 PolarHBondContact O-N 2.95Å; Y558-V561 WeakPolarHBondContact O-CB 3.4Å; Y558-L562 WeakPolarHBondContact O-CG 3.29Å; Y558-L562 PolarHBondContact O-N 3.49Å; Y558-A571 HydrophobicContact CD1-CB 3.92Å; Y558-S574 VanDerWaalsContact CZ-CB 3.4Å; Y558-S574 PolarHBondContact OH-OG 3.16Å; Y558-I578 HydrophobicContact CD2-CD1 3.79Å; Y558-I578 HydrophobicContact CE2-CD1 3.7Å
559	K	94.1	Very high	92.4	Very high	64 Å²	64	49.6 Å²	49.6	28%	0.278	24%	0.236	S	C	.	.	H	α-helix	trans	-72.4	-33.1	174.8	-80.5	-64.7	-171.5	-174.3	0	113.1	Y555 V556 D557 L562 Q563 V575 I597	Y555-K559 HydrophobicContact CD1-CG 4.12Å; Y555-K559 HydrophobicContact CE1-CG 3.72Å; Y555-K559 HydrophobicContact CE2-CG 4.48Å; Y555-K559 WeakPolarHBondContact O-CB 3.37Å; Y555-K559 WeakPolarHBondContact O-CG 3.44Å; Y555-K559 PolarHBondContact O-N 3.19Å; Y555-K559 WeakPolarHBondContact OH-CE 3.46Å; V556-K559 PolarHBondContact O-N 3.39Å; V556-K559 VanDerWaalsContact O-N 3.14Å; D557-K559 VanDerWaalsContact C-N 3.33Å; D557-K559 PolarHBondContact O-N 3.49Å; K559-L562 PolarHBondContact O-N 3.19Å; K559-Q563 PolarHBondContact O-N 3.39Å; K559-V575 HydrophobicContact CD-CG1 4.49Å; K559-V575 HydrophobicContact CD-CG2 4.32Å; K559-V575 HydrophobicContact CG-CG2 4.32Å; K559-I597 HydrophobicContact CB-CD1 4.16Å; K559-I597 HydrophobicContact CB-CG2 4.09Å; K559-I597 HydrophobicContact CG-CD1 4.27Å
560	T	93.4	Very high	92.2	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.018	23%	0.227	C	C	.	.	H	α-helix	trans	-70.2	-38.8	171.5	60.8	0	0	0	0	111.1	V556 D557 L562 Q563 I564 I597 P598	V556-T560 WeakPolarHBondContact O-CG2 3.49Å; V556-T560 PolarHBondContact O-N 3.26Å; D557-T560 PolarHBondContact O-N 2.84Å; D557-T560 PolarHBondContact O-OG1 3.15Å; T560-L562 VanDerWaalsContact C-N 3.3Å; T560-L562 PolarHBondContact O-N 3.01Å; T560-Q563 WeakPolarHBondContact O-CB 3.47Å; T560-Q563 PolarHBondContact O-N 3.03Å; T560-Q563 VanDerWaalsContact O-N 3.07Å; T560-I564 WeakPolarHBondContact O-CD1 3.33Å; T560-I564 WeakPolarHBondContact O-CG1 3.42Å; T560-I564 PolarHBondContact O-N 3.28Å; T560-I597 HydrophobicContact CG2-CG2 4.08Å; T560-P598 HydrophobicContact CG2-CG 3.6Å
561	V	93.6	Very high	92.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-52.8	-46.4	168.9	165	0	0	0	0	111.4	L535 L538 L539 D557 Y558 Q563 I564 D565 V568 A571	L535-V561 HydrophobicContact CD1-CB 4.33Å; L535-V561 HydrophobicContact CD1-CG1 3.9Å; L535-V561 HydrophobicContact CD1-CG2 4.29Å; L538-V561 HydrophobicContact CB-CG2 3.65Å; L539-V561 HydrophobicContact CB-CG2 4.27Å; L539-V561 HydrophobicContact CD1-CG1 4.4Å; D557-V561 WeakPolarHBondContact O-CG2 3.43Å; D557-V561 PolarHBondContact O-N 3.07Å; Y558-V561 WeakPolarHBondContact O-CB 3.4Å; V561-Q563 PolarHBondContact O-N 2.91Å; V561-I564 PolarHBondContact O-N 3.13Å; V561-D565 PolarHBondContact O-N 3.46Å; V561-V568 HydrophobicContact CG1-CB 4.09Å; V561-V568 HydrophobicContact CG1-CG1 4.12Å; V561-V568 HydrophobicContact CG1-CG2 4.14Å; V561-A571 HydrophobicContact CB-CB 4.4Å; V561-A571 HydrophobicContact CG1-CB 3.69Å
562	L	92.3	Very high	92	Very high	16 Å²	16	41.5 Å²	41.5	8%	0.084	21%	0.213	C	C	.	.	H	α-helix	trans	-72.8	-22.1	178	-68.7	176.1	0	0	0	114.4	Y558 K559 T560 I566 A571 H572 V575	Y558-L562 WeakPolarHBondContact O-CG 3.29Å; Y558-L562 PolarHBondContact O-N 3.49Å; K559-L562 PolarHBondContact O-N 3.19Å; T560-L562 VanDerWaalsContact C-N 3.3Å; T560-L562 PolarHBondContact O-N 3.01Å; L562-I566 WeakPolarHBondContact O-CG1 3.34Å; L562-A571 HydrophobicContact CD1-CB 4.43Å; L562-A571 HydrophobicContact CD2-CB 3.87Å; L562-A571 HydrophobicContact CG-CB 3.89Å; L562-H572 WeakPolarHBondContact CD2-NE2 3.49Å; L562-V575 HydrophobicContact CD1-CG2 4.12Å
563	Q	90.9	Very high	91.9	Very high	61 Å²	61	41.4 Å²	41.4	29%	0.285	22%	0.219	S	C	.	.	H	α-helix	trans	-74.6	-24.6	168.3	-77.5	-175.8	57.3	0	0	112.7	K559 T560 V561 P598 V600 Q605	K559-Q563 PolarHBondContact O-N 3.39Å; T560-Q563 WeakPolarHBondContact O-CB 3.47Å; T560-Q563 PolarHBondContact O-N 3.03Å; T560-Q563 VanDerWaalsContact O-N 3.07Å; V561-Q563 PolarHBondContact O-N 2.91Å; Q563-P598 PolarHBondContact NE2-O 2.77Å; Q563-V600 HydrophobicContact CB-CB 3.94Å; Q563-V600 HydrophobicContact CB-CG2 3.47Å; Q563-V600 VanDerWaalsContact CB-CG2 3.47Å; Q563-V600 HydrophobicContact CG-CG2 4.35Å; Q563-V600 VanDerWaalsContact OE1-N 3.08Å; Q563-Q605 PolarHBondContact O-NE2 3.49Å
564	I	88.1	Confident	92	Very high	18 Å²	18	37.2 Å²	37.2	9%	0.092	20%	0.201	C	C	.	.	H	α-helix	trans	-85.3	-46.7	174.8	-59.9	152.4	0	0	0	110.5	F533 L535 L538 T560 V561 V600	F533-I564 HydrophobicContact CB-CD1 4.09Å; F533-I564 HydrophobicContact CB-CG1 4.44Å; F533-I564 WeakPolarHBondContact O-CD1 3.39Å; L535-I564 HydrophobicContact CD1-CB 4.01Å; L535-I564 HydrophobicContact CD1-CD1 4.24Å; L535-I564 HydrophobicContact CD1-CG2 3.93Å; L538-I564 HydrophobicContact CD1-CD1 3.51Å; T560-I564 WeakPolarHBondContact O-CD1 3.33Å; T560-I564 WeakPolarHBondContact O-CG1 3.42Å; T560-I564 PolarHBondContact O-N 3.28Å; V561-I564 PolarHBondContact O-N 3.13Å; I564-V600 HydrophobicContact CG1-CG1 3.68Å; I564-V600 HydrophobicContact CG1-CG2 4.1Å
565	D	85.9	Confident	91.9	Very high	20 Å²	20	37.4 Å²	37.4	11%	0.107	20%	0.202	C	C	.	.			trans	-146	101.6	-173	-176.3	4.1	0	0	0	111.7	L535 V561 S567 V568 R608	L535-D565 HydrophobicContact CD1-CB 4.14Å; L535-D565 HydrophobicContact CD2-CB 4.27Å; V561-D565 PolarHBondContact O-N 3.46Å; D565-S567 PolarHBondContact O-N 3.35Å; D565-S567 WeakPolarHBondContact OD1-CB 3.43Å; D565-S567 PolarHBondContact OD1-N 3Å; D565-S567 PolarHBondContact OD1-OG 3.32Å; D565-S567 PolarHBondContact OD2-OG 3.48Å; D565-V568 HydrophobicContact CB-CG2 3.87Å; D565-V568 PolarHBondContact O-N 3.25Å; D565-V568 WeakPolarHBondContact OD2-CG2 3.43Å; D565-R608 IonicContact OD1-NH2 2.7Å; D565-R608 IonicContact OD2-CZ 3.48Å; D565-R608 IonicContact OD2-NH1 2.65Å; D565-R608 PolarHBondContact OD2-NH1 2.96Å; D565-R608 IonicContact OD2-NH2 3.57Å; D565-R608 PolarHBondContact OD2-NH2 2.8Å
566	I	87.8	Confident	91.9	Very high	131 Å²	131	40.6 Å²	40.6	67%	0.672	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.6	179	-57	169.6	0	0	0	111.7	L562 V568 H572	L562-I566 WeakPolarHBondContact O-CG1 3.34Å; I566-V568 VanDerWaalsContact C-N 3.32Å; I566-V568 PolarHBondContact O-N 3.4Å; I566-H572 PolarHBondContact O-NE2 3.38Å
567	S	86.4	Confident	91.9	Very high	86 Å²	86	45.5 Å²	45.5	60%	0.601	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-5.2	-177.1	73.8	0	0	0	0	114.9	D565 Q569	D565-S567 PolarHBondContact O-N 3.35Å; D565-S567 WeakPolarHBondContact OD1-CB 3.43Å; D565-S567 PolarHBondContact OD1-N 3Å; D565-S567 PolarHBondContact OD1-OG 3.32Å; D565-S567 PolarHBondContact OD2-OG 3.48Å; S567-Q569 PolarHBondContact O-N 3.11Å
568	V	89.6	Confident	91.8	Very high	23 Å²	23	45.1 Å²	45.1	14%	0.139	24%	0.236	C	C	.	.			trans	-76.7	83.9	-178.2	-172.2	0	0	0	0	110.9	L535 L539 V561 D565 I566 A570 A571 H572	L535-V568 HydrophobicContact CD2-CG2 4.47Å; L539-V568 HydrophobicContact CD1-CG1 4.35Å; L539-V568 HydrophobicContact CD2-CG1 4.41Å; V561-V568 HydrophobicContact CG1-CB 4.09Å; V561-V568 HydrophobicContact CG1-CG1 4.12Å; V561-V568 HydrophobicContact CG1-CG2 4.14Å; D565-V568 HydrophobicContact CB-CG2 3.87Å; D565-V568 PolarHBondContact O-N 3.25Å; D565-V568 WeakPolarHBondContact OD2-CG2 3.43Å; I566-V568 VanDerWaalsContact C-N 3.32Å; I566-V568 PolarHBondContact O-N 3.4Å; V568-A570 PolarHBondContact O-N 3.12Å; V568-A570 VanDerWaalsContact O-N 3.15Å; V568-A571 HydrophobicContact CB-CB 4.18Å; V568-A571 HydrophobicContact CG1-CB 3.94Å; V568-A571 WeakPolarHBondContact O-CB 3.46Å; V568-A571 PolarHBondContact O-N 2.89Å; V568-H572 PolarHBondContact O-N 3.21Å
569	Q	88.2	Confident	91.7	Very high	115 Å²	115	46.4 Å²	46.4	54%	0.537	24%	0.244	S	C	.	.	H	α-helix	trans	-51.6	-40.3	-178.7	-171.9	59.9	41.8	0	0	113.3	S567 A571 H572 D573	S567-Q569 PolarHBondContact O-N 3.11Å; Q569-A571 PolarHBondContact O-N 3.43Å; Q569-H572 WeakPolarHBondContact O-CB 3.33Å; Q569-H572 PolarHBondContact O-N 2.9Å; Q569-D573 PolarHBondContact NE2-OD1 3.41Å; Q569-D573 VanDerWaalsContact O-CG 3.27Å; Q569-D573 PolarHBondContact O-N 2.8Å
570	A	89.3	Confident	91.6	Very high	56 Å²	56	51.6 Å²	51.6	46%	0.463	26%	0.262	S	S	.	.	H	α-helix	trans	-58.6	-31.9	177.6	0	0	0	0	0	113.3	V568 S574	V568-A570 PolarHBondContact O-N 3.12Å; V568-A570 VanDerWaalsContact O-N 3.15Å; A570-S574 PolarHBondContact O-N 3.24Å
571	A	92.4	Very high	91.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-76.2	-36.3	176	0	0	0	0	0	111.7	L539 Y558 V561 L562 V568 Q569 V575	L539-A571 HydrophobicContact CD1-CB 4.5Å; Y558-A571 HydrophobicContact CD1-CB 3.92Å; V561-A571 HydrophobicContact CB-CB 4.4Å; V561-A571 HydrophobicContact CG1-CB 3.69Å; L562-A571 HydrophobicContact CD1-CB 4.43Å; L562-A571 HydrophobicContact CD2-CB 3.87Å; L562-A571 HydrophobicContact CG-CB 3.89Å; V568-A571 HydrophobicContact CB-CB 4.18Å; V568-A571 HydrophobicContact CG1-CB 3.94Å; V568-A571 WeakPolarHBondContact O-CB 3.46Å; V568-A571 PolarHBondContact O-N 2.89Å; Q569-A571 PolarHBondContact O-N 3.43Å; A571-V575 WeakPolarHBondContact O-CB 3.49Å; A571-V575 WeakPolarHBondContact O-CG2 3.33Å; A571-V575 PolarHBondContact O-N 3.12Å
572	H	92.9	Very high	91.5	Very high	56 Å²	56	53.7 Å²	53.7	26%	0.259	27%	0.273	S	S	.	.	H	α-helix	trans	-62.1	-46.8	169.6	-71.5	-69.9	0	0	0	111.5	L562 I566 V568 Q569 V575 N576	L562-H572 WeakPolarHBondContact CD2-NE2 3.49Å; I566-H572 PolarHBondContact O-NE2 3.38Å; V568-H572 PolarHBondContact O-N 3.21Å; Q569-H572 WeakPolarHBondContact O-CB 3.33Å; Q569-H572 PolarHBondContact O-N 2.9Å; H572-V575 PolarHBondContact O-N 2.92Å; H572-N576 WeakPolarHBondContact O-CB 3.46Å; H572-N576 PolarHBondContact O-N 3.39Å; H572-N576 PolarHBondContact O-ND2 3.06Å; H572-N576 VanDerWaalsContact O-ND2 3.12Å
573	D	93	Very high	91.5	Very high	74 Å²	74	56.7 Å²	56.7	40%	0.396	29%	0.289	S	S	.	.	H	α-helix	trans	-62.6	-46	-178.1	-64.7	-18.3	0	0	0	111.7	Q569 N576 R577	Q569-D573 PolarHBondContact NE2-OD1 3.41Å; Q569-D573 VanDerWaalsContact O-CG 3.27Å; Q569-D573 PolarHBondContact O-N 2.8Å; D573-N576 PolarHBondContact O-N 3.42Å; D573-R577 WeakPolarHBondContact O-CB 3.32Å; D573-R577 PolarHBondContact O-N 2.91Å
574	S	94.9	Very high	91.6	Very high	8 Å²	8	60.7 Å²	60.7	6%	0.056	31%	0.307	C	S	.	.	H	α-helix	trans	-71	-36	174.9	-81.8	0	0	0	0	112.7	E546 Y558 A570 N576 R577 I578	E546-S574 PolarHBondContact OE1-OG 3.05Å; E546-S574 WeakPolarHBondContact OE2-CB 3.34Å; E546-S574 PolarHBondContact OE2-OG 3.18Å; Y558-S574 VanDerWaalsContact CZ-CB 3.4Å; Y558-S574 PolarHBondContact OH-OG 3.16Å; A570-S574 PolarHBondContact O-N 3.24Å; S574-N576 VanDerWaalsContact C-N 3.34Å; S574-N576 PolarHBondContact O-N 2.88Å; S574-R577 PolarHBondContact O-N 3.2Å; S574-R577 PolarHBondContact OG-NH1 3.42Å; S574-I578 VanDerWaalsContact O-CB 3.26Å; S574-I578 WeakPolarHBondContact O-CB 3.47Å; S574-I578 WeakPolarHBondContact O-CG1 3.47Å; S574-I578 PolarHBondContact O-N 3.2Å
575	V	95.3	Very high	91.7	Very high	4 Å²	4	65.4 Å²	65.4	2%	0.024	33%	0.329	C	S	.	.	H	α-helix	trans	-59.1	-45.2	171.5	158.9	0	0	0	0	111.2	Y555 K559 L562 A571 H572 I578 T579	Y555-V575 HydrophobicContact CE2-CG1 3.93Å; K559-V575 HydrophobicContact CD-CG1 4.49Å; K559-V575 HydrophobicContact CD-CG2 4.32Å; K559-V575 HydrophobicContact CG-CG2 4.32Å; L562-V575 HydrophobicContact CD1-CG2 4.12Å; A571-V575 WeakPolarHBondContact O-CB 3.49Å; A571-V575 WeakPolarHBondContact O-CG2 3.33Å; A571-V575 PolarHBondContact O-N 3.12Å; H572-V575 PolarHBondContact O-N 2.92Å; V575-I578 PolarHBondContact O-N 3.14Å; V575-T579 VanDerWaalsContact O-CB 3.3Å; V575-T579 WeakPolarHBondContact O-CB 3.24Å; V575-T579 PolarHBondContact O-N 2.69Å; V575-T579 PolarHBondContact O-OG1 2.84Å
576	N	94	Very high	91.8	Very high	91 Å²	91	65.7 Å²	65.7	49%	0.487	33%	0.33	S	S	.	.	H	α-helix	trans	-66.9	-37.4	179.3	-72.3	-31.7	0	0	0	112.2	H572 D573 S574	H572-N576 WeakPolarHBondContact O-CB 3.46Å; H572-N576 PolarHBondContact O-N 3.39Å; H572-N576 PolarHBondContact O-ND2 3.06Å; H572-N576 VanDerWaalsContact O-ND2 3.12Å; D573-N576 PolarHBondContact O-N 3.42Å; S574-N576 VanDerWaalsContact C-N 3.34Å; S574-N576 PolarHBondContact O-N 2.88Å
577	R	94.9	Very high	91.8	Very high	117 Å²	117	60.7 Å²	60.7	44%	0.442	31%	0.311	S	S	.	.	H	α-helix	trans	-63.7	-53	173.2	-174	-172.8	-54.9	141.8	12.4	111.5	E546 D573 S574 T579 R580 L581	E546-R577 WeakPolarHBondContact OE1-CD 3.48Å; E546-R577 IonicContact OE1-CZ 3Å; E546-R577 IonicContact OE1-NE 2.85Å; E546-R577 IonicContact OE1-NH1 3.44Å; E546-R577 PolarHBondContact OE1-NH1 3.21Å; E546-R577 IonicContact OE2-NH1 2.72Å; D573-R577 WeakPolarHBondContact O-CB 3.32Å; D573-R577 PolarHBondContact O-N 2.91Å; S574-R577 PolarHBondContact O-N 3.2Å; S574-R577 PolarHBondContact OG-NH1 3.42Å; R577-T579 VanDerWaalsContact C-N 3.32Å; R577-T579 PolarHBondContact O-N 3.39Å; R577-R580 PolarHBondContact O-N 3.35Å; R577-R580 VanDerWaalsContact O-N 3.16Å; R577-L581 HydrophobicContact CG-CD1 4.47Å; R577-L581 PolarHBondContact O-N 3.43Å
578	I	94.8	Very high	91.7	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-66.8	-33.6	-177	-67.2	170.3	0	0	0	111.5	E546 Y551 A554 Y555 Y558 S574 V575 R580 L581 L582	E546-I578 HydrophobicContact CG-CD1 4.34Å; Y551-I578 HydrophobicContact CD1-CG1 4.2Å; A554-I578 HydrophobicContact CB-CD1 3.79Å; Y555-I578 HydrophobicContact CD2-CG2 4.02Å; Y555-I578 HydrophobicContact CG-CG2 4.45Å; Y558-I578 HydrophobicContact CD2-CD1 3.79Å; Y558-I578 HydrophobicContact CE2-CD1 3.7Å; S574-I578 VanDerWaalsContact O-CB 3.26Å; S574-I578 WeakPolarHBondContact O-CB 3.47Å; S574-I578 WeakPolarHBondContact O-CG1 3.47Å; S574-I578 PolarHBondContact O-N 3.2Å; V575-I578 PolarHBondContact O-N 3.14Å; I578-R580 VanDerWaalsContact C-N 3.28Å; I578-R580 PolarHBondContact O-N 3.01Å; I578-L581 PolarHBondContact O-N 3.03Å; I578-L582 HydrophobicContact CG2-CD1 3.7Å; I578-L582 HydrophobicContact CG2-CG 4.05Å; I578-L582 WeakPolarHBondContact O-CB 3.24Å; I578-L582 WeakPolarHBondContact O-CG 3.47Å; I578-L582 PolarHBondContact O-N 2.74Å
579	T	93.6	Very high	91.7	Very high	31 Å²	31	66 Å²	66	19%	0.19	34%	0.335	C	S	.	.	H	α-helix	trans	-57.6	-40.6	173.2	-61.1	0	0	0	0	111.7	V575 R577 I583 W590	V575-T579 VanDerWaalsContact O-CB 3.3Å; V575-T579 WeakPolarHBondContact O-CB 3.24Å; V575-T579 PolarHBondContact O-N 2.69Å; V575-T579 PolarHBondContact O-OG1 2.84Å; R577-T579 VanDerWaalsContact C-N 3.32Å; R577-T579 PolarHBondContact O-N 3.39Å; T579-I583 HydrophobicContact CG2-CD1 3.84Å; T579-I583 WeakPolarHBondContact O-CB 3.33Å; T579-I583 WeakPolarHBondContact O-CD1 3.41Å; T579-I583 WeakPolarHBondContact O-CG1 3.23Å; T579-I583 PolarHBondContact O-N 3.32Å; T579-I583 VanDerWaalsContact O-N 3.07Å; T579-W590 HydrophobicContact CG2-CH2 3.98Å; T579-W590 HydrophobicContact CG2-CZ2 3.74Å
580	R	93	Very high	91.8	Very high	173 Å²	173	60.7 Å²	60.7	65%	0.653	31%	0.31	S	S	*	.	H	α-helix	trans	-67.5	-49.6	177	-63.2	176.7	-168.6	-173.2	1.6	111.2	R577 I578 L582 I583 E584	R577-R580 PolarHBondContact O-N 3.35Å; R577-R580 VanDerWaalsContact O-N 3.16Å; I578-R580 VanDerWaalsContact C-N 3.28Å; I578-R580 PolarHBondContact O-N 3.01Å; R580-L582 VanDerWaalsContact C-N 3.29Å; R580-L582 PolarHBondContact O-N 2.65Å; R580-I583 PolarHBondContact O-N 3.04Å; R580-I583 VanDerWaalsContact O-N 3.1Å; R580-E584 WeakPolarHBondContact O-CB 3.21Å; R580-E584 VanDerWaalsContact O-CG 3.31Å; R580-E584 WeakPolarHBondContact O-CG 3.38Å; R580-E584 PolarHBondContact O-N 3.26Å
581	L	91.8	Very high	91.7	Very high	47 Å²	47	65.7 Å²	65.7	25%	0.246	32%	0.317	C	S	.	.	H	α-helix	trans	-58.4	-38.4	178.6	-63.3	172.5	0	0	0	112.6	Y551 R577 I578 E584 Q585	Y551-L581 HydrophobicContact CD1-CD1 4.13Å; Y551-L581 HydrophobicContact CE1-CD1 3.7Å; Y551-L581 HydrophobicContact CE2-CD1 4.41Å; R577-L581 HydrophobicContact CG-CD1 4.47Å; R577-L581 PolarHBondContact O-N 3.43Å; I578-L581 PolarHBondContact O-N 3.03Å; L581-E584 PolarHBondContact O-N 2.85Å; L581-Q585 WeakPolarHBondContact O-CB 3.49Å; L581-Q585 VanDerWaalsContact O-CG 3.26Å; L581-Q585 WeakPolarHBondContact O-CG 3.44Å; L581-Q585 PolarHBondContact O-N 3.48Å
582	L	93.1	Very high	91.5	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-72.4	-36.9	176.2	-69.5	174.4	0	0	0	112.4	R552 Y555 I578 R580 E584 Q585 D586 W590 L594	R552-L582 HydrophobicContact CG-CD2 4.01Å; Y555-L582 HydrophobicContact CD2-CD1 4.49Å; Y555-L582 HydrophobicContact CG-CD1 4.42Å; I578-L582 HydrophobicContact CG2-CD1 3.7Å; I578-L582 HydrophobicContact CG2-CG 4.05Å; I578-L582 WeakPolarHBondContact O-CB 3.24Å; I578-L582 WeakPolarHBondContact O-CG 3.47Å; I578-L582 PolarHBondContact O-N 2.74Å; R580-L582 VanDerWaalsContact C-N 3.29Å; R580-L582 PolarHBondContact O-N 2.65Å; L582-E584 VanDerWaalsContact C-N 3.34Å; L582-Q585 PolarHBondContact O-N 2.96Å; L582-D586 WeakPolarHBondContact O-CB 3.49Å; L582-D586 PolarHBondContact O-N 3.13Å; L582-W590 HydrophobicContact CB-CB 4.28Å; L582-W590 HydrophobicContact CB-CD2 4.15Å; L582-W590 HydrophobicContact CB-CE3 3.7Å; L582-W590 HydrophobicContact CB-CG 4.44Å; L582-W590 HydrophobicContact CB-CZ3 4.33Å; L582-W590 HydrophobicContact CD1-CE3 3.74Å; L582-W590 HydrophobicContact CD1-CZ3 3.79Å; L582-W590 HydrophobicContact CG-CE3 4.36Å; L582-L594 HydrophobicContact CD1-CD2 4.08Å
583	I	92.3	Very high	91.2	Very high	80 Å²	80	75 Å²	75	41%	0.41	36%	0.359	S	S	.	.	H	α-helix	trans	-65	-39.2	171.8	-70.4	165.1	0	0	0	111	T579 R580 Q585 G587 W590	T579-I583 HydrophobicContact CG2-CD1 3.84Å; T579-I583 WeakPolarHBondContact O-CB 3.33Å; T579-I583 WeakPolarHBondContact O-CD1 3.41Å; T579-I583 WeakPolarHBondContact O-CG1 3.23Å; T579-I583 PolarHBondContact O-N 3.32Å; T579-I583 VanDerWaalsContact O-N 3.07Å; R580-I583 PolarHBondContact O-N 3.04Å; R580-I583 VanDerWaalsContact O-N 3.1Å; I583-Q585 VanDerWaalsContact C-N 3.34Å; I583-G587 VanDerWaalsContact O-CA 3.29Å; I583-G587 WeakPolarHBondContact O-CA 3.47Å; I583-G587 PolarHBondContact O-N 3.28Å; I583-W590 VanDerWaalsContact CG1-CD1 3.49Å; I583-W590 HydrophobicContact CG1-CD2 4.4Å; I583-W590 HydrophobicContact CG1-CG 4.1Å
584	E	91.9	Very high	91	Very high	144 Å²	144	73.1 Å²	73.1	67%	0.673	35%	0.349	S	S	*	.	H	α-helix	trans	-66.9	-32.3	176.3	-72	161.3	-156.5	0	0	112.5	R580 L581 L582	R580-E584 WeakPolarHBondContact O-CB 3.21Å; R580-E584 VanDerWaalsContact O-CG 3.31Å; R580-E584 WeakPolarHBondContact O-CG 3.38Å; R580-E584 PolarHBondContact O-N 3.26Å; L581-E584 PolarHBondContact O-N 2.85Å; L582-E584 VanDerWaalsContact C-N 3.34Å
585	Q	89.9	Confident	90.6	Very high	117 Å²	117	75.6 Å²	75.6	55%	0.547	36%	0.364	S	S	.	.	H	α-helix	trans	-86.7	-34.6	179.2	-74.2	178.3	-4.9	0	0	114.5	L581 L582 I583	L581-Q585 WeakPolarHBondContact O-CB 3.49Å; L581-Q585 VanDerWaalsContact O-CG 3.26Å; L581-Q585 WeakPolarHBondContact O-CG 3.44Å; L581-Q585 PolarHBondContact O-N 3.48Å; L582-Q585 PolarHBondContact O-N 2.96Å; I583-Q585 VanDerWaalsContact C-N 3.34Å
586	D	87.9	Confident	90.2	Very high	26 Å²	26	82.9 Å²	82.9	14%	0.139	40%	0.403	C	S	.	.	H	α-helix	trans	-120.2	-8.8	-170.3	-73.4	-56.3	0	0	0	115.4	R552 L582 W590 K593	R552-D586 IonicContact CZ-OD2 3.6Å; R552-D586 IonicContact NH1-OD2 2.93Å; R552-D586 PolarHBondContact NH1-OD2 3.39Å; R552-D586 IonicContact NH2-OD1 2.74Å; R552-D586 PolarHBondContact NH2-OD1 3.15Å; R552-D586 IonicContact NH2-OD2 3.56Å; R552-D586 PolarHBondContact NH2-OD2 2.81Å; L582-D586 WeakPolarHBondContact O-CB 3.49Å; L582-D586 PolarHBondContact O-N 3.13Å; D586-W590 HydrophobicContact CB-CB 3.57Å; D586-K593 HydrophobicContact CB-CD 4.04Å; D586-K593 VanDerWaalsContact CG-CD 3.48Å; D586-K593 WeakPolarHBondContact OD1-CD 3.44Å; D586-K593 IonicContact OD1-NZ 3.47Å; D586-K593 PolarHBondContact OD1-NZ 2.91Å
587	G	88.6	Confident	89.9	Confident	27 Å²	27	81.4 Å²	81.4	28%	0.278	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	69.1	-147.2	-172.7	0	0	0	0	0	113	I583 E589	I583-G587 VanDerWaalsContact O-CA 3.29Å; I583-G587 WeakPolarHBondContact O-CA 3.47Å; I583-G587 PolarHBondContact O-N 3.28Å; G587-E589 VanDerWaalsContact C-N 3.33Å; G587-E589 PolarHBondContact O-N 3.04Å
588	P	85.1	Confident	89.5	Confident	112 Å²	112	78.7 Å²	78.7	73%	0.727	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-68	-30.2	-174.7	27.2	-33.6	0	0	0	113.6	W590	P588-W590 PolarHBondContact O-N 2.99Å
589	E	89.5	Confident	89	Confident	108 Å²	108	86 Å²	86	51%	0.505	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-75.5	-0.2	-176.2	-65.1	167.4	-168.9	0	0	114	G587 R591 E592	G587-E589 VanDerWaalsContact C-N 3.33Å; G587-E589 PolarHBondContact O-N 3.04Å; E589-R591 PolarHBondContact O-N 3.08Å; E589-E592 PolarHBondContact O-N 3.06Å
590	W	89.8	Confident	88.6	Confident	4 Å²	4	85.1 Å²	85.1	2%	0.015	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-51.4	-26.9	-175.4	76.9	-88.4	0	0	0	114.7	Y555 T579 L582 I583 D586 P588 L594	Y555-W590 HydrophobicContact CD2-CZ3 4.41Å; Y555-W590 HydrophobicContact CE1-CH2 4.35Å; Y555-W590 HydrophobicContact CE1-CZ3 4.2Å; Y555-W590 AromaticContact CE2-CH2 3.91Å; Y555-W590 HydrophobicContact CE2-CH2 3.91Å; Y555-W590 HydrophobicContact CE2-CZ3 4.04Å; Y555-W590 AromaticContact CZ-CH2 3.72Å; Y555-W590 AromaticContact CZ-CZ3 3.94Å; T579-W590 HydrophobicContact CG2-CH2 3.98Å; T579-W590 HydrophobicContact CG2-CZ2 3.74Å; L582-W590 HydrophobicContact CB-CB 4.28Å; L582-W590 HydrophobicContact CB-CD2 4.15Å; L582-W590 HydrophobicContact CB-CE3 3.7Å; L582-W590 HydrophobicContact CB-CG 4.44Å; L582-W590 HydrophobicContact CB-CZ3 4.33Å; L582-W590 HydrophobicContact CD1-CE3 3.74Å; L582-W590 HydrophobicContact CD1-CZ3 3.79Å; L582-W590 HydrophobicContact CG-CE3 4.36Å; I583-W590 VanDerWaalsContact CG1-CD1 3.49Å; I583-W590 HydrophobicContact CG1-CD2 4.4Å; I583-W590 HydrophobicContact CG1-CG 4.1Å; D586-W590 HydrophobicContact CB-CB 3.57Å; P588-W590 PolarHBondContact O-N 2.99Å; W590-L594 HydrophobicContact CE3-CD1 4.2Å; W590-L594 HydrophobicContact CE3-CD2 4.32Å; W590-L594 HydrophobicContact CE3-CG 4.34Å; W590-L594 HydrophobicContact CZ3-CD1 3.86Å; W590-L594 HydrophobicContact CZ3-CD2 4.28Å; W590-L594 HydrophobicContact CZ3-CG 4.4Å
591	R	86.5	Confident	88.2	Confident	161 Å²	161	79.7 Å²	79.7	61%	0.608	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-73	-36.7	177.9	-64.6	-174.2	179.5	85.1	-4.7	113.5	E589 K593 L594	E589-R591 PolarHBondContact O-N 3.08Å; R591-K593 PolarHBondContact O-N 3.07Å; R591-L594 WeakPolarHBondContact O-CB 3.28Å; R591-L594 PolarHBondContact O-N 3.22Å
592	E	88.9	Confident	87.4	Confident	167 Å²	167	83.2 Å²	83.2	78%	0.78	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-25.4	-179.2	-61.7	177.3	-161.9	0	0	111	E589 L594	E589-E592 PolarHBondContact O-N 3.06Å; E592-L594 VanDerWaalsContact C-N 3.31Å
593	K	86.4	Confident	86.6	Confident	85 Å²	85	87 Å²	87	37%	0.37	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	9	174.5	-57	168.2	-175.7	168.7	0	113.1	R552 D586 R591	R552-K593 VanDerWaalsContact CD-O 3.31Å; R552-K593 WeakPolarHBondContact CD-O 3.44Å; R552-K593 PolarHBondContact NH1-O 3.11Å; D586-K593 HydrophobicContact CB-CD 4.04Å; D586-K593 VanDerWaalsContact CG-CD 3.48Å; D586-K593 WeakPolarHBondContact OD1-CD 3.44Å; D586-K593 IonicContact OD1-NZ 3.47Å; D586-K593 PolarHBondContact OD1-NZ 2.91Å; R591-K593 PolarHBondContact O-N 3.07Å
594	L	88.4	Confident	85.6	Confident	34 Å²	34	84.3 Å²	84.3	18%	0.178	45%	0.447	C	S	.	.	S	Bend	trans	-83.4	144.9	173.5	-70.2	175.7	0	0	0	110.9	Y555 L582 W590 R591 E592	Y555-L594 HydrophobicContact CD1-CD1 3.92Å; Y555-L594 HydrophobicContact CD1-CD2 4.01Å; Y555-L594 HydrophobicContact CE1-CD1 3.75Å; Y555-L594 HydrophobicContact CG-CD2 4.49Å; L582-L594 HydrophobicContact CD1-CD2 4.08Å; W590-L594 HydrophobicContact CE3-CD1 4.2Å; W590-L594 HydrophobicContact CE3-CD2 4.32Å; W590-L594 HydrophobicContact CE3-CG 4.34Å; W590-L594 HydrophobicContact CZ3-CD1 3.86Å; W590-L594 HydrophobicContact CZ3-CD2 4.28Å; W590-L594 HydrophobicContact CZ3-CG 4.4Å; R591-L594 WeakPolarHBondContact O-CB 3.28Å; R591-L594 PolarHBondContact O-N 3.22Å; E592-L594 VanDerWaalsContact C-N 3.31Å
595	P	87.3	Confident	84.7	Confident	59 Å²	59	80.4 Å²	80.4	38%	0.383	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-64.4	149.6	160.8	-12.3	27	0	0	0	110.4	V556 I597	V556-P595 HydrophobicContact CG2-CB 4.25Å; V556-P595 HydrophobicContact CG2-CG 4.29Å; P595-I597 PolarHBondContact O-N 3.37Å
596	D	86.5	Confident	83.4	Confident	157 Å²	157	79.4 Å²	79.4	84%	0.84	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-53.1	131.7	175.5	-67.2	-58.6	0	0	0	111.9	P598	D596-P598 WeakPolarHBondContact O-CD 3.41Å
597	I	87.5	Confident	82	Confident	61 Å²	61	83.1 Å²	83.1	31%	0.313	44%	0.44	S	S	.	.			trans	-84.3	114.4	176.5	-52.8	174.7	0	0	0	107.3	Y555 V556 K559 T560 P595 L599	Y555-I597 HydrophobicContact CE1-CD1 4.26Å; V556-I597 HydrophobicContact CG2-CG1 4.27Å; K559-I597 HydrophobicContact CB-CD1 4.16Å; K559-I597 HydrophobicContact CB-CG2 4.09Å; K559-I597 HydrophobicContact CG-CD1 4.27Å; T560-I597 HydrophobicContact CG2-CG2 4.08Å; P595-I597 PolarHBondContact O-N 3.37Å; I597-L599 PolarHBondContact O-N 3.39Å
598	P	86.1	Confident	80.3	Confident	60 Å²	60	88 Å²	88	39%	0.39	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-66.6	138.9	-176.5	27.3	-33.4	0	0	0	110.6	T560 Q563 D596 V600	T560-P598 HydrophobicContact CG2-CG 3.6Å; Q563-P598 PolarHBondContact NE2-O 2.77Å; D596-P598 WeakPolarHBondContact O-CD 3.41Å; P598-V600 PolarHBondContact O-N 3.2Å
599	L	84.3	Confident	78.7	Confident	152 Å²	152	92.4 Å²	92.4	80%	0.796	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-73.3	122.7	178.4	-71.4	163.6	0	0	0	109.8	I597 P601	I597-L599 PolarHBondContact O-N 3.39Å; L599-P601 WeakPolarHBondContact O-CD 3.21Å
600	V	86.1	Confident	76.6	Confident	14 Å²	14	93.9 Å²	93.9	9%	0.085	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-79.9	122.8	179	179.2	0	0	0	0	110.1	F533 Q563 I564 P598 A604 Q605	F533-V600 HydrophobicContact CD1-CB 4.31Å; F533-V600 HydrophobicContact CD1-CG1 4.21Å; F533-V600 HydrophobicContact CD1-CG2 3.75Å; F533-V600 HydrophobicContact CE1-CB 4.41Å; F533-V600 HydrophobicContact CE1-CG2 3.91Å; F533-V600 HydrophobicContact CG-CG1 4.37Å; Q563-V600 HydrophobicContact CB-CB 3.94Å; Q563-V600 HydrophobicContact CB-CG2 3.47Å; Q563-V600 VanDerWaalsContact CB-CG2 3.47Å; Q563-V600 HydrophobicContact CG-CG2 4.35Å; Q563-V600 VanDerWaalsContact OE1-N 3.08Å; I564-V600 HydrophobicContact CG1-CG1 3.68Å; I564-V600 HydrophobicContact CG1-CG2 4.1Å; P598-V600 PolarHBondContact O-N 3.2Å; V600-A604 HydrophobicContact CG1-CB 3.84Å; V600-Q605 HydrophobicContact CG1-CG 4.19Å
601	P	84.9	Confident	74.5	Confident	58 Å²	58	100.2 Å²	100.2	38%	0.377	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-64.9	149.2	175.1	-22.1	34.3	0	0	0	112.7	F533 L599 S603 A604 Q605	F533-P601 HydrophobicContact CD2-CG 4.46Å; F533-P601 HydrophobicContact CE2-CG 3.91Å; F533-P601 HydrophobicContact CZ-CG 4.43Å; L599-P601 WeakPolarHBondContact O-CD 3.21Å; P601-S603 PolarHBondContact O-N 3.35Å; P601-S603 VanDerWaalsContact O-N 3.16Å; P601-A604 WeakPolarHBondContact O-CB 3.43Å; P601-A604 PolarHBondContact O-N 3.21Å; P601-Q605 PolarHBondContact O-N 2.84Å
602	L	74.1	Confident	72.8	Confident	122 Å²	122	97.6 Å²	97.6	64%	0.639	50%	0.497	S	S	*	.	H	α-helix	trans	-57.1	-32.5	178.9	-62.2	179.1	0	0	0	113	A604 Q605 Q606	L602-A604 VanDerWaalsContact C-N 3.33Å; L602-A604 PolarHBondContact O-N 3.09Å; L602-Q605 CarbonylContact O-C 3.57Å; L602-Q605 WeakPolarHBondContact O-CA 3.42Å; L602-Q605 WeakPolarHBondContact O-CB 3.37Å; L602-Q605 PolarHBondContact O-N 3.11Å; L602-Q606 VanDerWaalsContact O-CG 3.27Å; L602-Q606 WeakPolarHBondContact O-CG 3.48Å; L602-Q606 PolarHBondContact O-N 2.9Å; L602-Q606 PolarHBondContact O-OE1 3.28Å
603	S	76.5	Confident	71.3	Confident	79 Å²	79	92.2 Å²	92.2	55%	0.552	48%	0.477	S	S	*	.	H	α-helix	trans	-60.1	-39.2	175.7	48.6	0	0	0	0	113	P601 Q605 Q606 H607	P601-S603 PolarHBondContact O-N 3.35Å; P601-S603 VanDerWaalsContact O-N 3.16Å; S603-Q605 VanDerWaalsContact C-N 3.27Å; S603-Q605 PolarHBondContact O-N 3.43Å; S603-Q606 PolarHBondContact O-N 3.3Å; S603-Q606 VanDerWaalsContact O-N 3.1Å; S603-H607 PolarHBondContact O-N 3.45Å
604	A	71.6	Confident	70.2	Confident	23 Å²	23	91.4 Å²	91.4	19%	0.19	48%	0.482	C	S	.	.	H	α-helix	trans	-68.7	-25.8	175.5	0	0	0	0	0	112.7	F533 V600 P601 L602	F533-A604 HydrophobicContact CB-CB 3.73Å; F533-A604 HydrophobicContact CD2-CB 4.27Å; F533-A604 HydrophobicContact CG-CB 4.19Å; V600-A604 HydrophobicContact CG1-CB 3.84Å; P601-A604 WeakPolarHBondContact O-CB 3.43Å; P601-A604 PolarHBondContact O-N 3.21Å; L602-A604 VanDerWaalsContact C-N 3.33Å; L602-A604 PolarHBondContact O-N 3.09Å
605	Q	73.6	Confident	69.1	Low	63 Å²	63	97.6 Å²	97.6	29%	0.294	51%	0.51	S	S	.	.	H	α-helix	trans	-79.4	-25.4	170.6	-59.9	174.3	-12.8	0	0	112.5	Q563 V600 P601 L602 S603	Q563-Q605 PolarHBondContact O-NE2 3.49Å; V600-Q605 HydrophobicContact CG1-CG 4.19Å; P601-Q605 PolarHBondContact O-N 2.84Å; L602-Q605 CarbonylContact O-C 3.57Å; L602-Q605 WeakPolarHBondContact O-CA 3.42Å; L602-Q605 WeakPolarHBondContact O-CB 3.37Å; L602-Q605 PolarHBondContact O-N 3.11Å; S603-Q605 VanDerWaalsContact C-N 3.27Å; S603-Q605 PolarHBondContact O-N 3.43Å
606	Q	60.8	Low	68.1	Low	95 Å²	95	102.4 Å²	102.4	44%	0.444	53%	0.527	S	S	.	.	H	α-helix	trans	-86.1	-34	-176.4	-74.8	169.1	-54.7	0	0	113.6	L602 S603 R608 R609 E610	L602-Q606 VanDerWaalsContact O-CG 3.27Å; L602-Q606 WeakPolarHBondContact O-CG 3.48Å; L602-Q606 PolarHBondContact O-N 2.9Å; L602-Q606 PolarHBondContact O-OE1 3.28Å; S603-Q606 PolarHBondContact O-N 3.3Å; S603-Q606 VanDerWaalsContact O-N 3.1Å; Q606-R608 PolarHBondContact O-N 2.89Å; Q606-R609 WeakPolarHBondContact O-CA 3.43Å; Q606-R609 WeakPolarHBondContact O-CB 3.43Å; Q606-R609 PolarHBondContact O-N 2.99Å; Q606-E610 PolarHBondContact O-N 2.86Å
607	H	59.7	Low	67.4	Low	104 Å²	104	97.8 Å²	97.8	48%	0.481	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-16.5	175.6	-161.6	-37	0	0	0	113.6	S603	S603-H607 PolarHBondContact O-N 3.45Å
608	R	52.9	Low	66.5	Low	130 Å²	130	99.2 Å²	99.2	49%	0.491	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-4.9	174.6	-104.8	-71.2	-63.4	-79.6	-5.5	115.1	D565 Q606	D565-R608 IonicContact OD1-NH2 2.7Å; D565-R608 IonicContact OD2-CZ 3.48Å; D565-R608 IonicContact OD2-NH1 2.65Å; D565-R608 PolarHBondContact OD2-NH1 2.96Å; D565-R608 IonicContact OD2-NH2 3.57Å; D565-R608 PolarHBondContact OD2-NH2 2.8Å; Q606-R608 PolarHBondContact O-N 2.89Å
609	R	52.1	Low	65.9	Low	205 Å²	205	101.6 Å²	101.6	77%	0.774	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-23.9	-179.9	-62.3	-172.7	-179.9	-143.6	0.3	113.5	Q606	Q606-R609 WeakPolarHBondContact O-CA 3.43Å; Q606-R609 WeakPolarHBondContact O-CB 3.43Å; Q606-R609 PolarHBondContact O-N 2.99Å
610	E	43.8	Very low	65.4	Low	139 Å²	139	97 Å²	97	65%	0.65	50%	0.502	S	S	*	.	S	Bend	trans	-79.2	-28.7	-169.1	-71.9	169.1	171.2	0	0	113.5	Q606 P612	Q606-E610 PolarHBondContact O-N 2.86Å; E610-P612 WeakPolarHBondContact O-CD 3.4Å
611	D	47.3	Very low	64.8	Low	136 Å²	136	103.7 Å²	103.7	73%	0.727	53%	0.526	S	S	*	.	S	Bend	trans	-93.2	97	170.4	-80	-35.9	0	0	0	112
612	P	49.7	Very low	64.4	Low	106 Å²	106	103.8 Å²	103.8	69%	0.688	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-63.5	127.8	163.7	27.4	-33.4	0	0	0	108.8	E610 S614	E610-P612 WeakPolarHBondContact O-CD 3.4Å; P612-S614 PolarHBondContact O-N 3.09Å
613	P	57.7	Low	64.7	Low	55 Å²	55	101.1 Å²	101.1	36%	0.357	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-59.1	128.9	-179.3	24.2	-34	0	0	0	110.2	V617 L618	P613-V617 HydrophobicContact CB-CG1 4.28Å; P613-L618 HydrophobicContact CB-CD2 4.45Å; P613-L618 HydrophobicContact CB-CG 4.28Å; P613-L618 HydrophobicContact CG-CD1 4.33Å; P613-L618 HydrophobicContact CG-CD2 3.76Å; P613-L618 HydrophobicContact CG-CG 3.93Å; P613-L618 WeakPolarHBondContact O-CD1 3.44Å; P613-L618 WeakPolarHBondContact O-CG 3.3Å
614	S	63	Low	65	Low	68 Å²	68	103.4 Å²	103.4	48%	0.476	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-54.8	150.5	-174.1	69.8	0	0	0	0	112.2	P612 Q616 V617 L618	P612-S614 PolarHBondContact O-N 3.09Å; S614-Q616 PolarHBondContact O-N 3.1Å; S614-Q616 VanDerWaalsContact O-N 3.08Å; S614-V617 WeakPolarHBondContact O-CA 3.47Å; S614-V617 WeakPolarHBondContact O-CB 3.41Å; S614-V617 PolarHBondContact O-N 3.49Å; S614-V617 WeakPolarHBondContact OG-CG2 3.35Å; S614-L618 PolarHBondContact O-N 3.04Å
615	Q	65.8	Low	65.4	Low	164 Å²	164	105 Å²	105	77%	0.766	53%	0.529	S	S	*	.	H	α-helix	trans	-54.9	-35.1	-173.7	-170.9	173	-5.6	0	0	112.8	L618 Q619	Q615-L618 PolarHBondContact O-N 3.08Å; Q615-Q619 VanDerWaalsContact O-CB 3.32Å; Q615-Q619 WeakPolarHBondContact O-CB 3.32Å; Q615-Q619 PolarHBondContact O-N 3.37Å
616	Q	66.6	Low	65.8	Low	159 Å²	159	104.4 Å²	104.4	74%	0.743	53%	0.532	S	S	*	.	H	α-helix	trans	-64.2	-40.1	173	-64.7	176.7	-3.6	0	0	112.9	S614 A620	S614-Q616 PolarHBondContact O-N 3.1Å; S614-Q616 VanDerWaalsContact O-N 3.08Å; Q616-A620 VanDerWaalsContact O-CB 3.27Å; Q616-A620 WeakPolarHBondContact O-CB 3.48Å; Q616-A620 PolarHBondContact O-N 3.07Å
617	V	70.4	Confident	67	Low	60 Å²	60	106 Å²	106	36%	0.364	53%	0.534	S	S	.	.	H	α-helix	trans	-71.8	-36.7	176.6	172.6	0	0	0	0	111.2	P613 S614 R621	P613-V617 HydrophobicContact CB-CG1 4.28Å; S614-V617 WeakPolarHBondContact O-CA 3.47Å; S614-V617 WeakPolarHBondContact O-CB 3.41Å; S614-V617 PolarHBondContact O-N 3.49Å; S614-V617 WeakPolarHBondContact OG-CG2 3.35Å; V617-R621 WeakPolarHBondContact O-CB 3.46Å; V617-R621 WeakPolarHBondContact O-CG 3.44Å; V617-R621 PolarHBondContact O-N 3.12Å
618	L	70.6	Confident	68	Low	91 Å²	91	102.8 Å²	102.8	48%	0.476	52%	0.52	S	S	.	.	H	α-helix	trans	-64.1	-46.8	171.9	-77.3	172.5	0	0	0	111.6	P613 S614 Q615 R621 A622	P613-L618 HydrophobicContact CB-CD2 4.45Å; P613-L618 HydrophobicContact CB-CG 4.28Å; P613-L618 HydrophobicContact CG-CD1 4.33Å; P613-L618 HydrophobicContact CG-CD2 3.76Å; P613-L618 HydrophobicContact CG-CG 3.93Å; P613-L618 WeakPolarHBondContact O-CD1 3.44Å; P613-L618 WeakPolarHBondContact O-CG 3.3Å; S614-L618 PolarHBondContact O-N 3.04Å; Q615-L618 PolarHBondContact O-N 3.08Å; L618-R621 PolarHBondContact O-N 2.97Å; L618-A622 WeakPolarHBondContact O-CB 3.09Å; L618-A622 PolarHBondContact O-N 3.32Å
619	Q	72.9	Confident	69.3	Low	110 Å²	110	98.6 Å²	98.6	51%	0.514	51%	0.513	S	S	.	.	H	α-helix	trans	-61.3	-50	176.4	-177.2	177.7	-23.3	0	0	111.4	Q615 R621 A622 E623	Q615-Q619 VanDerWaalsContact O-CB 3.32Å; Q615-Q619 WeakPolarHBondContact O-CB 3.32Å; Q615-Q619 PolarHBondContact O-N 3.37Å; Q619-R621 VanDerWaalsContact C-N 3.25Å; Q619-R621 PolarHBondContact O-N 3.31Å; Q619-A622 WeakPolarHBondContact O-CB 3.41Å; Q619-A622 PolarHBondContact O-N 2.62Å; Q619-E623 HydrophobicContact CG-CG 4.28Å; Q619-E623 WeakPolarHBondContact CG-OE1 3.3Å; Q619-E623 PolarHBondContact NE2-OE1 2.89Å; Q619-E623 WeakPolarHBondContact O-CG 3.49Å; Q619-E623 PolarHBondContact O-N 2.76Å
620	A	72.5	Confident	71	Confident	56 Å²	56	94.3 Å²	94.3	46%	0.463	50%	0.502	S	S	.	.	H	α-helix	trans	-60.6	-32.5	177.6	0	0	0	0	0	113	Q616 K624	Q616-A620 VanDerWaalsContact O-CB 3.27Å; Q616-A620 WeakPolarHBondContact O-CB 3.48Å; Q616-A620 PolarHBondContact O-N 3.07Å; A620-K624 VanDerWaalsContact O-CB 3.29Å; A620-K624 WeakPolarHBondContact O-CB 3.39Å; A620-K624 PolarHBondContact O-N 3.4Å
621	R	75.2	Confident	73.2	Confident	154 Å²	154	94.4 Å²	94.4	58%	0.581	50%	0.497	S	S	*	.	H	α-helix	trans	-69.1	-43.2	171.1	-75.2	171.2	-173.6	-171.1	5.8	112	V617 L618 Q619 K624 A625	V617-R621 WeakPolarHBondContact O-CB 3.46Å; V617-R621 WeakPolarHBondContact O-CG 3.44Å; V617-R621 PolarHBondContact O-N 3.12Å; L618-R621 PolarHBondContact O-N 2.97Å; Q619-R621 VanDerWaalsContact C-N 3.25Å; Q619-R621 PolarHBondContact O-N 3.31Å; R621-K624 PolarHBondContact O-N 2.94Å; R621-A625 WeakPolarHBondContact O-CB 3.33Å; R621-A625 PolarHBondContact O-N 3.29Å
622	A	75.2	Confident	75.1	Confident	60 Å²	60	95.6 Å²	95.6	50%	0.496	49%	0.491	S	S	.	.	H	α-helix	trans	-64.6	-47.6	178.3	0	0	0	0	0	111.8	L618 Q619 K624 A625 S626	L618-A622 WeakPolarHBondContact O-CB 3.09Å; L618-A622 PolarHBondContact O-N 3.32Å; Q619-A622 WeakPolarHBondContact O-CB 3.41Å; Q619-A622 PolarHBondContact O-N 2.62Å; A622-K624 VanDerWaalsContact C-N 3.32Å; A622-K624 PolarHBondContact O-N 3.23Å; A622-A625 WeakPolarHBondContact O-CB 3.24Å; A622-A625 PolarHBondContact O-N 3.34Å; A622-A625 VanDerWaalsContact O-N 3.11Å; A622-S626 PolarHBondContact O-N 3.11Å
623	E	80.7	Confident	77	Confident	66 Å²	66	92.3 Å²	92.3	31%	0.308	47%	0.473	S	S	.	.	H	α-helix	trans	-64.6	-34.6	175.4	-62.5	175.5	-163.5	0	0	112.5	Q619 S626 R627	Q619-E623 HydrophobicContact CG-CG 4.28Å; Q619-E623 WeakPolarHBondContact CG-OE1 3.3Å; Q619-E623 PolarHBondContact NE2-OE1 2.89Å; Q619-E623 WeakPolarHBondContact O-CG 3.49Å; Q619-E623 PolarHBondContact O-N 2.76Å; E623-S626 PolarHBondContact O-OG 2.72Å; E623-S626 VanDerWaalsContact O-OG 3.13Å; E623-R627 WeakPolarHBondContact O-CB 3.32Å; E623-R627 WeakPolarHBondContact O-CD 3.39Å; E623-R627 WeakPolarHBondContact O-CG 3.47Å; E623-R627 PolarHBondContact O-N 3.04Å; E623-R627 VanDerWaalsContact O-N 3.07Å; E623-R627 IonicContact OE2-CZ 3.61Å; E623-R627 VanDerWaalsContact OE2-CZ 3.31Å; E623-R627 IonicContact OE2-NH1 2.76Å; E623-R627 PolarHBondContact OE2-NH1 3.24Å; E623-R627 IonicContact OE2-NH2 3.9Å; E623-R627 PolarHBondContact OE2-NH2 2.87Å
624	K	83.3	Confident	78.6	Confident	128 Å²	128	93.5 Å²	93.5	56%	0.557	47%	0.474	S	S	*	.	H	α-helix	trans	-65.4	-43	171.3	-178.2	174	177.7	-179.8	0	110.7	A620 R621 A622 S626 R627 D628	A620-K624 VanDerWaalsContact O-CB 3.29Å; A620-K624 WeakPolarHBondContact O-CB 3.39Å; A620-K624 PolarHBondContact O-N 3.4Å; R621-K624 PolarHBondContact O-N 2.94Å; A622-K624 VanDerWaalsContact C-N 3.32Å; A622-K624 PolarHBondContact O-N 3.23Å; K624-S626 VanDerWaalsContact C-N 3.33Å; K624-S626 PolarHBondContact O-N 3.18Å; K624-R627 PolarHBondContact O-N 3.22Å; K624-D628 WeakPolarHBondContact CE-OD2 3.32Å; K624-D628 VanDerWaalsContact O-CB 3.24Å; K624-D628 WeakPolarHBondContact O-CB 3.41Å; K624-D628 VanDerWaalsContact O-CG 3.24Å; K624-D628 PolarHBondContact O-N 3.18Å
625	A	79.1	Confident	80	Confident	56 Å²	56	94.8 Å²	94.8	46%	0.463	48%	0.479	S	S	.	.	H	α-helix	trans	-63.5	-36.4	178.6	0	0	0	0	0	112.6	R621 A622 A629	R621-A625 WeakPolarHBondContact O-CB 3.33Å; R621-A625 PolarHBondContact O-N 3.29Å; A622-A625 WeakPolarHBondContact O-CB 3.24Å; A622-A625 PolarHBondContact O-N 3.34Å; A622-A625 VanDerWaalsContact O-N 3.11Å; A625-A629 VanDerWaalsContact O-CB 3.29Å; A625-A629 WeakPolarHBondContact O-CB 3.48Å; A625-A629 PolarHBondContact O-N 3.15Å
626	S	83.6	Confident	81.3	Confident	50 Å²	50	93.6 Å²	93.6	35%	0.35	47%	0.467	S	S	.	.	H	α-helix	trans	-68.2	-52.2	174.1	79.9	0	0	0	0	111.5	A622 E623 K624 D628 A629 E630	A622-S626 PolarHBondContact O-N 3.11Å; E623-S626 PolarHBondContact O-OG 2.72Å; E623-S626 VanDerWaalsContact O-OG 3.13Å; K624-S626 VanDerWaalsContact C-N 3.33Å; K624-S626 PolarHBondContact O-N 3.18Å; S626-D628 PolarHBondContact O-N 2.84Å; S626-A629 CarbonylContact O-C 3.58Å; S626-A629 WeakPolarHBondContact O-CA 3.35Å; S626-A629 WeakPolarHBondContact O-CB 3.45Å; S626-A629 PolarHBondContact O-N 2.77Å; S626-E630 VanDerWaalsContact C-OE1 3.3Å; S626-E630 WeakPolarHBondContact CB-OE1 3.49Å; S626-E630 WeakPolarHBondContact O-CG 3.42Å; S626-E630 PolarHBondContact O-N 3.23Å; S626-E630 PolarHBondContact OG-OE1 2.66Å
627	R	85.3	Confident	82.7	Confident	128 Å²	128	86.2 Å²	86.2	48%	0.483	43%	0.432	S	S	.	.	H	α-helix	trans	-56.1	-37.6	175.8	-68	168.8	-171.6	124.8	4.6	112.5	E623 K624 R631	E623-R627 WeakPolarHBondContact O-CB 3.32Å; E623-R627 WeakPolarHBondContact O-CD 3.39Å; E623-R627 WeakPolarHBondContact O-CG 3.47Å; E623-R627 PolarHBondContact O-N 3.04Å; E623-R627 VanDerWaalsContact O-N 3.07Å; E623-R627 IonicContact OE2-CZ 3.61Å; E623-R627 VanDerWaalsContact OE2-CZ 3.31Å; E623-R627 IonicContact OE2-NH1 2.76Å; E623-R627 PolarHBondContact OE2-NH1 3.24Å; E623-R627 IonicContact OE2-NH2 3.9Å; E623-R627 PolarHBondContact OE2-NH2 2.87Å; K624-R627 PolarHBondContact O-N 3.22Å; R627-R631 WeakPolarHBondContact O-CB 3.31Å; R627-R631 PolarHBondContact O-N 3.39Å; R627-R631 PolarHBondContact O-NH2 3.01Å
628	D	79.4	Confident	83.8	Confident	37 Å²	37	86.1 Å²	86.1	20%	0.198	43%	0.432	C	S	.	.	H	α-helix	trans	-74.2	-28	175.4	-73.3	-17.7	0	0	0	112.5	K624 S626 R631 R632	K624-D628 WeakPolarHBondContact CE-OD2 3.32Å; K624-D628 VanDerWaalsContact O-CB 3.24Å; K624-D628 WeakPolarHBondContact O-CB 3.41Å; K624-D628 VanDerWaalsContact O-CG 3.24Å; K624-D628 PolarHBondContact O-N 3.18Å; S626-D628 PolarHBondContact O-N 2.84Å; D628-R631 IonicContact OD1-CZ 3.66Å; D628-R631 IonicContact OD1-NH1 3.99Å; D628-R631 PolarHBondContact OD1-NH1 3.08Å; D628-R631 IonicContact OD1-NH2 2.68Å; D628-R631 PolarHBondContact OD1-NH2 3.06Å; D628-R632 WeakPolarHBondContact O-CG 3.38Å; D628-R632 PolarHBondContact O-N 3.14Å; D628-R632 PolarHBondContact O-NE 3.12Å; D628-R632 PolarHBondContact O-NH1 3.42Å; D628-R632 VanDerWaalsContact O-NH1 3.12Å
629	A	81.8	Confident	84.9	Confident	42 Å²	42	83.5 Å²	83.5	35%	0.347	42%	0.424	S	S	.	.	H	α-helix	trans	-76.6	-45	173.8	0	0	0	0	0	112.4	A625 S626 R631 R632 A633	A625-A629 VanDerWaalsContact O-CB 3.29Å; A625-A629 WeakPolarHBondContact O-CB 3.48Å; A625-A629 PolarHBondContact O-N 3.15Å; S626-A629 CarbonylContact O-C 3.58Å; S626-A629 WeakPolarHBondContact O-CA 3.35Å; S626-A629 WeakPolarHBondContact O-CB 3.45Å; S626-A629 PolarHBondContact O-N 2.77Å; A629-R631 VanDerWaalsContact C-N 3.32Å; A629-R631 PolarHBondContact O-N 2.97Å; A629-R632 WeakPolarHBondContact O-CB 3.36Å; A629-R632 PolarHBondContact O-N 3.3Å; A629-R632 VanDerWaalsContact O-N 3.1Å; A629-A633 PolarHBondContact O-N 3.37Å
630	E	88.1	Confident	86	Confident	116 Å²	116	78.7 Å²	78.7	54%	0.542	40%	0.402	S	S	.	.	H	α-helix	trans	-53.7	-48.7	172.8	-69.5	151.7	-147.3	0	0	110.5	S626 R632 A633 E634	S626-E630 VanDerWaalsContact C-OE1 3.3Å; S626-E630 WeakPolarHBondContact CB-OE1 3.49Å; S626-E630 WeakPolarHBondContact O-CG 3.42Å; S626-E630 PolarHBondContact O-N 3.23Å; S626-E630 PolarHBondContact OG-OE1 2.66Å; E630-R632 VanDerWaalsContact C-N 3.32Å; E630-R632 PolarHBondContact O-N 3.31Å; E630-A633 WeakPolarHBondContact O-CB 3.13Å; E630-A633 PolarHBondContact O-N 3.23Å; E630-A633 VanDerWaalsContact O-N 3.12Å; E630-E634 PolarHBondContact O-N 3.46Å
631	R	88.2	Confident	87.1	Confident	141 Å²	141	78.8 Å²	78.8	53%	0.532	39%	0.391	S	S	.	.	H	α-helix	trans	-61.8	-36	176.9	-159.5	-172.7	-45.7	107.1	14.8	113.2	R627 D628 A629 V635	R627-R631 WeakPolarHBondContact O-CB 3.31Å; R627-R631 PolarHBondContact O-N 3.39Å; R627-R631 PolarHBondContact O-NH2 3.01Å; D628-R631 IonicContact OD1-CZ 3.66Å; D628-R631 IonicContact OD1-NH1 3.99Å; D628-R631 PolarHBondContact OD1-NH1 3.08Å; D628-R631 IonicContact OD1-NH2 2.68Å; D628-R631 PolarHBondContact OD1-NH2 3.06Å; A629-R631 VanDerWaalsContact C-N 3.32Å; A629-R631 PolarHBondContact O-N 2.97Å; R631-V635 WeakPolarHBondContact O-CG2 3.27Å; R631-V635 PolarHBondContact O-N 3.01Å
632	R	87.6	Confident	88	Confident	160 Å²	160	77.6 Å²	77.6	60%	0.604	39%	0.393	S	S	*	.	H	α-helix	trans	-69.8	-38.2	173.8	-74.6	-176.2	-59.6	-94.7	1.7	111.8	D628 A629 E630 R636	D628-R632 WeakPolarHBondContact O-CG 3.38Å; D628-R632 PolarHBondContact O-N 3.14Å; D628-R632 PolarHBondContact O-NE 3.12Å; D628-R632 PolarHBondContact O-NH1 3.42Å; D628-R632 VanDerWaalsContact O-NH1 3.12Å; A629-R632 WeakPolarHBondContact O-CB 3.36Å; A629-R632 PolarHBondContact O-N 3.3Å; A629-R632 VanDerWaalsContact O-N 3.1Å; E630-R632 VanDerWaalsContact C-N 3.32Å; E630-R632 PolarHBondContact O-N 3.31Å; R632-R636 WeakPolarHBondContact O-CB 3.39Å; R632-R636 PolarHBondContact O-N 3.16Å
633	A	89.4	Confident	88.9	Confident	38 Å²	38	78.4 Å²	78.4	31%	0.314	39%	0.386	S	S	.	.	H	α-helix	trans	-64.8	-41.3	175.6	0	0	0	0	0	111.6	A629 E630 R636 F637	A629-A633 PolarHBondContact O-N 3.37Å; E630-A633 WeakPolarHBondContact O-CB 3.13Å; E630-A633 PolarHBondContact O-N 3.23Å; E630-A633 VanDerWaalsContact O-N 3.12Å; A633-R636 PolarHBondContact O-N 3.13Å; A633-F637 VanDerWaalsContact O-CB 3.27Å; A633-F637 WeakPolarHBondContact O-CB 3.5Å; A633-F637 PolarHBondContact O-N 2.91Å
634	E	91.7	Very high	89.6	Confident	79 Å²	79	75.3 Å²	75.3	37%	0.369	37%	0.371	S	S	.	.	H	α-helix	trans	-62.5	-47.4	176.4	-168.7	64.1	-107.3	0	0	112.6	E630 R636 F637 T638 K667	E630-E634 PolarHBondContact O-N 3.46Å; E634-R636 VanDerWaalsContact C-N 3.32Å; E634-R636 PolarHBondContact O-N 3.14Å; E634-F637 PolarHBondContact O-N 2.89Å; E634-T638 PolarHBondContact O-N 3.25Å; E634-T638 PolarHBondContact O-OG1 3.36Å; E634-K667 IonicContact OE1-NZ 3.26Å; E634-K667 PolarHBondContact OE1-NZ 3.33Å; E634-K667 VanDerWaalsContact OE2-CE 3.31Å; E634-K667 WeakPolarHBondContact OE2-CE 3.31Å; E634-K667 IonicContact OE2-NZ 3.2Å; E634-K667 PolarHBondContact OE2-NZ 2.87Å
635	V	92.7	Very high	90.2	Very high	96 Å²	96	71.6 Å²	71.6	58%	0.582	36%	0.358	S	S	*	.	H	α-helix	trans	-64.2	-38.3	177.7	173.5	0	0	0	0	111.1	R631 T638 A639	R631-V635 WeakPolarHBondContact O-CG2 3.27Å; R631-V635 PolarHBondContact O-N 3.01Å; V635-T638 WeakPolarHBondContact CA-OG1 3.35Å; V635-T638 PolarHBondContact O-OG1 3.21Å; V635-T638 VanDerWaalsContact O-OG1 3.12Å; V635-A639 WeakPolarHBondContact O-CB 3.5Å; V635-A639 PolarHBondContact O-N 3.15Å; V635-A639 VanDerWaalsContact O-N 3.17Å
636	R	92.6	Very high	91	Very high	138 Å²	138	72.1 Å²	72.1	52%	0.521	35%	0.353	S	S	.	.	H	α-helix	trans	-67.9	-41.2	174	-172.7	179.6	172.6	163	-0.5	112.3	R632 A633 E634 L640 E662 L666	R632-R636 WeakPolarHBondContact O-CB 3.39Å; R632-R636 PolarHBondContact O-N 3.16Å; A633-R636 PolarHBondContact O-N 3.13Å; E634-R636 VanDerWaalsContact C-N 3.32Å; E634-R636 PolarHBondContact O-N 3.14Å; R636-L640 HydrophobicContact CG-CD1 3.88Å; R636-L640 HydrophobicContact CG-CG 4.33Å; R636-L640 WeakPolarHBondContact O-CB 3.27Å; R636-L640 VanDerWaalsContact O-CG 3.3Å; R636-L640 WeakPolarHBondContact O-CG 3.36Å; R636-L640 PolarHBondContact O-N 2.97Å; R636-E662 IonicContact CZ-OE2 3.68Å; R636-E662 IonicContact NE-OE2 2.67Å; R636-E662 IonicContact NH2-OE2 2.7Å; R636-E662 PolarHBondContact NH2-OE2 3.4Å; R636-L666 HydrophobicContact CB-CD1 4.05Å; R636-L666 HydrophobicContact CG-CD1 3.82Å
637	F	95.7	Very high	91.5	Very high	4 Å²	4	71.6 Å²	71.6	2%	0.018	34%	0.344	C	S	.	.	H	α-helix	trans	-63.1	-47.5	178.8	172.8	-98	0	0	0	111.8	A633 E634 L640 K641 C663 L666 K667 E670 I673	A633-F637 VanDerWaalsContact O-CB 3.27Å; A633-F637 WeakPolarHBondContact O-CB 3.5Å; A633-F637 PolarHBondContact O-N 2.91Å; E634-F637 PolarHBondContact O-N 2.89Å; F637-L640 PolarHBondContact O-N 3.19Å; F637-K641 HydrophobicContact CE1-CD 4.05Å; F637-K641 HydrophobicContact CZ-CD 4.22Å; F637-K641 VanDerWaalsContact O-CB 3.24Å; F637-K641 WeakPolarHBondContact O-CB 3.13Å; F637-K641 PolarHBondContact O-N 2.98Å; F637-C663 HydrophobicContact CD2-CB 4Å; F637-C663 HydrophobicContact CE2-CB 3.83Å; F637-L666 HydrophobicContact CB-CB 4.46Å; F637-L666 HydrophobicContact CB-CD1 4.11Å; F637-L666 HydrophobicContact CD2-CB 4.41Å; F637-K667 HydrophobicContact CD1-CD 3.83Å; F637-K667 HydrophobicContact CD2-CB 4Å; F637-K667 HydrophobicContact CD2-CD 3.95Å; F637-K667 HydrophobicContact CD2-CG 4Å; F637-K667 HydrophobicContact CE1-CD 3.81Å; F637-K667 HydrophobicContact CE2-CB 3.77Å; F637-K667 HydrophobicContact CE2-CD 3.94Å; F637-K667 HydrophobicContact CE2-CG 4.16Å; F637-K667 HydrophobicContact CG-CD 3.9Å; F637-K667 HydrophobicContact CG-CG 4.28Å; F637-K667 HydrophobicContact CZ-CB 4.34Å; F637-K667 HydrophobicContact CZ-CD 3.87Å; F637-E670 HydrophobicContact CZ-CB 4.23Å; F637-E670 HydrophobicContact CZ-CG 4.26Å; F637-E670 WeakPolarHBondContact CZ-OE2 3.48Å; F637-I673 HydrophobicContact CE2-CD1 4.3Å; F637-I673 HydrophobicContact CE2-CG1 4.04Å; F637-I673 HydrophobicContact CZ-CD1 4.2Å; F637-I673 HydrophobicContact CZ-CG1 4.04Å
638	T	93.5	Very high	92	Very high	59 Å²	59	67 Å²	67	36%	0.362	33%	0.33	S	S	.	.	H	α-helix	trans	-64.2	-40.3	178.7	47.7	0	0	0	0	112.3	E634 V635 Q642	E634-T638 PolarHBondContact O-N 3.25Å; E634-T638 PolarHBondContact O-OG1 3.36Å; V635-T638 WeakPolarHBondContact CA-OG1 3.35Å; V635-T638 PolarHBondContact O-OG1 3.21Å; V635-T638 VanDerWaalsContact O-OG1 3.12Å; T638-Q642 WeakPolarHBondContact O-CG 3.13Å; T638-Q642 PolarHBondContact O-N 3.17Å; T638-Q642 VanDerWaalsContact O-N 3.08Å
639	A	94.7	Very high	92.7	Very high	36 Å²	36	72.9 Å²	72.9	30%	0.298	35%	0.354	S	S	.	.	H	α-helix	trans	-61.9	-51.8	172.3	0	0	0	0	0	112.6	V635 K641 Q642 E643	V635-A639 WeakPolarHBondContact O-CB 3.5Å; V635-A639 PolarHBondContact O-N 3.15Å; V635-A639 VanDerWaalsContact O-N 3.17Å; A639-K641 VanDerWaalsContact C-N 3.29Å; A639-K641 PolarHBondContact O-N 3.38Å; A639-Q642 WeakPolarHBondContact O-CB 3.42Å; A639-Q642 PolarHBondContact O-N 3.43Å; A639-Q642 VanDerWaalsContact O-N 3.09Å; A639-E643 WeakPolarHBondContact O-CG 3.18Å; A639-E643 PolarHBondContact O-N 3.21Å
640	L	95.8	Very high	93.3	Very high	9 Å²	9	77.6 Å²	77.6	5%	0.047	37%	0.367	C	S	.	.	H	α-helix	trans	-61.8	-35.2	179	-72.2	170	0	0	0	112.7	R636 F637 G644 K659 E662 C663 L666	R636-L640 HydrophobicContact CG-CD1 3.88Å; R636-L640 HydrophobicContact CG-CG 4.33Å; R636-L640 WeakPolarHBondContact O-CB 3.27Å; R636-L640 VanDerWaalsContact O-CG 3.3Å; R636-L640 WeakPolarHBondContact O-CG 3.36Å; R636-L640 PolarHBondContact O-N 2.97Å; F637-L640 PolarHBondContact O-N 3.19Å; L640-G644 PolarHBondContact O-N 3.1Å; L640-K659 HydrophobicContact CD2-CD 3.64Å; L640-E662 HydrophobicContact CD1-CB 3.7Å; L640-E662 HydrophobicContact CD2-CB 4.41Å; L640-C663 VanDerWaalsContact C-SG 3.59Å; L640-C663 WeakPolarHBondContact CB-SG 3.27Å; L640-L666 HydrophobicContact CD1-CD1 3.88Å
641	K	95.6	Very high	93.5	Very high	57 Å²	57	73.8 Å²	73.8	25%	0.248	36%	0.359	C	S	.	.	H	α-helix	trans	-65	-38.9	174.3	-176.8	175.4	-177.4	179.8	0	111.6	F637 A639 N645 C663 E670 I673	F637-K641 HydrophobicContact CE1-CD 4.05Å; F637-K641 HydrophobicContact CZ-CD 4.22Å; F637-K641 VanDerWaalsContact O-CB 3.24Å; F637-K641 WeakPolarHBondContact O-CB 3.13Å; F637-K641 PolarHBondContact O-N 2.98Å; A639-K641 VanDerWaalsContact C-N 3.29Å; A639-K641 PolarHBondContact O-N 3.38Å; K641-N645 PolarHBondContact O-N 3.3Å; K641-N645 PolarHBondContact O-ND2 2.91Å; K641-N645 VanDerWaalsContact O-ND2 3.08Å; K641-C663 PolarHBondContact N-SG 3.14Å; K641-C663 VanDerWaalsContact N-SG 3.44Å; K641-E670 IonicContact NZ-OE1 2.71Å; K641-E670 PolarHBondContact NZ-OE1 3.19Å; K641-I673 HydrophobicContact CB-CD1 4.25Å; K641-I673 HydrophobicContact CD-CD1 3.98Å; K641-I673 HydrophobicContact CG-CD1 3.8Å
642	Q	94.5	Very high	93.8	Very high	130 Å²	130	70.4 Å²	70.4	61%	0.607	35%	0.349	S	S	*	.	H	α-helix	trans	-68.9	-48.1	173.9	-72.9	174.1	-6.9	0	0	111.7	T638 A639 G644 N645 D646	T638-Q642 WeakPolarHBondContact O-CG 3.13Å; T638-Q642 PolarHBondContact O-N 3.17Å; T638-Q642 VanDerWaalsContact O-N 3.08Å; A639-Q642 WeakPolarHBondContact O-CB 3.42Å; A639-Q642 PolarHBondContact O-N 3.43Å; A639-Q642 VanDerWaalsContact O-N 3.09Å; Q642-G644 PolarHBondContact O-N 2.99Å; Q642-N645 WeakPolarHBondContact O-CB 3.31Å; Q642-N645 PolarHBondContact O-N 3.38Å; Q642-D646 PolarHBondContact O-N 3.48Å
643	E	94.3	Very high	94.1	Very high	77 Å²	77	65.9 Å²	65.9	36%	0.36	33%	0.332	S	S	.	.	H	α-helix	trans	-55	-49.2	175.8	-72.3	176.8	-157	0	0	111.7	A639 N645 D646 F647 K659	A639-E643 WeakPolarHBondContact O-CG 3.18Å; A639-E643 PolarHBondContact O-N 3.21Å; E643-N645 PolarHBondContact O-N 3.05Å; E643-D646 PolarHBondContact O-N 3.39Å; E643-D646 VanDerWaalsContact O-N 3.12Å; E643-F647 HydrophobicContact CB-CD2 4.49Å; E643-F647 HydrophobicContact CB-CE2 4.23Å; E643-F647 WeakPolarHBondContact O-CD2 3.3Å; E643-F647 PolarHBondContact O-N 3.15Å; E643-K659 HydrophobicContact CB-CD 4.35Å; E643-K659 HydrophobicContact CB-CG 4.46Å; E643-K659 WeakPolarHBondContact OE2-CD 3.39Å; E643-K659 WeakPolarHBondContact OE2-CE 3.3Å; E643-K659 IonicContact OE2-NZ 3.82Å; E643-K659 PolarHBondContact OE2-NZ 3.17Å
644	G	95.4	Very high	94.3	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-58.2	-44	177	0	0	0	0	0	113	L640 Q642 D646 F647 V648 Y660	L640-G644 PolarHBondContact O-N 3.1Å; Q642-G644 PolarHBondContact O-N 2.99Å; G644-D646 VanDerWaalsContact C-N 3.31Å; G644-D646 PolarHBondContact O-N 3.18Å; G644-F647 PolarHBondContact O-N 3.15Å; G644-V648 WeakPolarHBondContact O-CG2 3.47Å; G644-V648 PolarHBondContact O-N 2.83Å; G644-V648 VanDerWaalsContact O-N 3.07Å; G644-Y660 VanDerWaalsContact C-OH 3.24Å; G644-Y660 PolarHBondContact O-OH 3.25Å
645	N	94.6	Very high	94.4	Very high	51 Å²	51	70 Å²	70	27%	0.273	35%	0.345	S	S	.	.	H	α-helix	trans	-61.8	-37.9	175.3	-71.3	-27.6	0	0	0	111.9	K641 Q642 E643 V648 K649 Y660 N676	K641-N645 PolarHBondContact O-N 3.3Å; K641-N645 PolarHBondContact O-ND2 2.91Å; K641-N645 VanDerWaalsContact O-ND2 3.08Å; Q642-N645 WeakPolarHBondContact O-CB 3.31Å; Q642-N645 PolarHBondContact O-N 3.38Å; E643-N645 PolarHBondContact O-N 3.05Å; N645-V648 PolarHBondContact O-N 3.41Å; N645-K649 WeakPolarHBondContact O-CG 3.41Å; N645-K649 PolarHBondContact O-N 2.83Å; N645-Y660 WeakPolarHBondContact CA-OH 3.43Å; N645-Y660 PolarHBondContact N-OH 3.38Å; N645-Y660 PolarHBondContact OD1-OH 3.15Å; N645-Y660 VanDerWaalsContact OD1-OH 3.06Å; N645-N676 PolarHBondContact OD1-ND2 3.36Å
646	D	95.8	Very high	94.5	Very high	67 Å²	67	65.5 Å²	65.5	36%	0.358	32%	0.318	S	S	.	.	H	α-helix	trans	-76.1	-31.8	-180	-73	-16.7	0	0	0	113	Q642 E643 G644 V648 K649 K650	Q642-D646 PolarHBondContact O-N 3.48Å; E643-D646 PolarHBondContact O-N 3.39Å; E643-D646 VanDerWaalsContact O-N 3.12Å; G644-D646 VanDerWaalsContact C-N 3.31Å; G644-D646 PolarHBondContact O-N 3.18Å; D646-V648 VanDerWaalsContact C-N 3.34Å; D646-K649 PolarHBondContact O-N 3.01Å; D646-K649 WeakPolarHBondContact OD1-CD 3.48Å; D646-K649 WeakPolarHBondContact OD1-CE 3.35Å; D646-K649 IonicContact OD1-NZ 2.76Å; D646-K649 PolarHBondContact OD1-NZ 3.18Å; D646-K650 VanDerWaalsContact O-CG 3.29Å; D646-K650 WeakPolarHBondContact O-CG 3.5Å; D646-K650 PolarHBondContact O-N 2.98Å; D646-K650 VanDerWaalsContact O-N 3.13Å
647	F	95.9	Very high	94.6	Very high	38 Å²	38	59.5 Å²	59.5	17%	0.167	30%	0.296	C	S	.	.	H	α-helix	trans	-64.1	-38	167.4	-72.4	-63.5	0	0	0	111.8	E643 G644 K650 G651 Q652 E655 A656 K659	E643-F647 HydrophobicContact CB-CD2 4.49Å; E643-F647 HydrophobicContact CB-CE2 4.23Å; E643-F647 WeakPolarHBondContact O-CD2 3.3Å; E643-F647 PolarHBondContact O-N 3.15Å; G644-F647 PolarHBondContact O-N 3.15Å; F647-K650 PolarHBondContact O-N 3.09Å; F647-G651 PolarHBondContact O-N 3.29Å; F647-G651 VanDerWaalsContact O-N 3.17Å; F647-Q652 HydrophobicContact CB-CB 4.27Å; F647-Q652 HydrophobicContact CD1-CB 4.01Å; F647-Q652 PolarHBondContact O-N 3.05Å; F647-E655 HydrophobicContact CD1-CB 3.91Å; F647-E655 VanDerWaalsContact CD1-OE2 3.28Å; F647-E655 WeakPolarHBondContact CD1-OE2 3.4Å; F647-E655 HydrophobicContact CD2-CB 4.44Å; F647-E655 HydrophobicContact CE1-CB 4.2Å; F647-E655 WeakPolarHBondContact CE1-OE2 3.41Å; F647-E655 HydrophobicContact CG-CB 4.05Å; F647-A656 HydrophobicContact CB-CB 3.84Å; F647-K659 HydrophobicContact CD2-CG 4.03Å; F647-K659 HydrophobicContact CE2-CG 3.98Å
648	V	95.3	Very high	94.5	Very high	31 Å²	31	61.1 Å²	61.1	19%	0.188	31%	0.314	C	S	.	.	H	α-helix	trans	-61.9	-45.1	172.6	172.4	0	0	0	0	111.5	G644 N645 D646 K650 G651 Y653 A656 Y660 C680	G644-V648 WeakPolarHBondContact O-CG2 3.47Å; G644-V648 PolarHBondContact O-N 2.83Å; G644-V648 VanDerWaalsContact O-N 3.07Å; N645-V648 PolarHBondContact O-N 3.41Å; D646-V648 VanDerWaalsContact C-N 3.34Å; V648-K650 PolarHBondContact O-N 2.87Å; V648-G651 PolarHBondContact O-N 3.36Å; V648-Y653 HydrophobicContact CG1-CE1 4.34Å; V648-A656 HydrophobicContact CG2-CB 3.71Å; V648-Y660 HydrophobicContact CG2-CE2 3.96Å; V648-C680 VanDerWaalsContact CG2-SG 3.5Å
649	K	93.8	Very high	94.6	Very high	162 Å²	162	60.8 Å²	60.8	70%	0.704	31%	0.308	S	S	*	.	H	α-helix	trans	-59.3	-32.6	175.7	-67.4	170.6	-164.5	164.2	0	113	N645 D646 G651	N645-K649 WeakPolarHBondContact O-CG 3.41Å; N645-K649 PolarHBondContact O-N 2.83Å; D646-K649 PolarHBondContact O-N 3.01Å; D646-K649 WeakPolarHBondContact OD1-CD 3.48Å; D646-K649 WeakPolarHBondContact OD1-CE 3.35Å; D646-K649 IonicContact OD1-NZ 2.76Å; D646-K649 PolarHBondContact OD1-NZ 3.18Å; K649-G651 VanDerWaalsContact C-N 3.33Å
650	K	94.3	Very high	94.7	Very high	140 Å²	140	59.2 Å²	59.2	61%	0.609	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.4	176.7	-65.9	168.4	-171.2	172.6	0	113.8	D646 F647 V648 Q652	D646-K650 VanDerWaalsContact O-CG 3.29Å; D646-K650 WeakPolarHBondContact O-CG 3.5Å; D646-K650 PolarHBondContact O-N 2.98Å; D646-K650 VanDerWaalsContact O-N 3.13Å; F647-K650 PolarHBondContact O-N 3.09Å; V648-K650 PolarHBondContact O-N 2.87Å; K650-Q652 VanDerWaalsContact C-N 3.26Å; K650-Q652 HydrophobicContact CB-CG 4.14Å; K650-Q652 VanDerWaalsContact CD-OE1 3.25Å; K650-Q652 PolarHBondContact O-N 3.29Å
651	G	92.4	Very high	94.6	Very high	36 Å²	36	60.2 Å²	60.2	37%	0.371	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	9.9	-173.8	0	0	0	0	0	114.9	F647 V648 K649 Y653	F647-G651 PolarHBondContact O-N 3.29Å; F647-G651 VanDerWaalsContact O-N 3.17Å; V648-G651 PolarHBondContact O-N 3.36Å; K649-G651 VanDerWaalsContact C-N 3.33Å; G651-Y653 WeakPolarHBondContact O-CD2 3.48Å; G651-Y653 WeakPolarHBondContact O-CE2 3.45Å; G651-Y653 PolarHBondContact O-N 2.93Å
652	Q	95.1	Very high	94.6	Very high	70 Å²	70	60.3 Å²	60.3	33%	0.327	31%	0.305	S	S	.	.			trans	-84.6	58.5	-178.6	-66	179.3	-89.1	0	0	111.2	F647 K650 Q654 E655 A656	F647-Q652 HydrophobicContact CB-CB 4.27Å; F647-Q652 HydrophobicContact CD1-CB 4.01Å; F647-Q652 PolarHBondContact O-N 3.05Å; K650-Q652 VanDerWaalsContact C-N 3.26Å; K650-Q652 HydrophobicContact CB-CG 4.14Å; K650-Q652 VanDerWaalsContact CD-OE1 3.25Å; K650-Q652 PolarHBondContact O-N 3.29Å; Q652-Q654 VanDerWaalsContact C-N 3.31Å; Q652-Q654 PolarHBondContact O-N 3.46Å; Q652-E655 HydrophobicContact CB-CB 4.39Å; Q652-E655 PolarHBondContact NE2-OE1 2.9Å; Q652-E655 PolarHBondContact NE2-OE2 2.86Å; Q652-E655 PolarHBondContact O-N 3.24Å; Q652-E655 VanDerWaalsContact O-N 3.1Å; Q652-A656 PolarHBondContact O-N 3.08Å; Q652-A656 VanDerWaalsContact O-N 3.13Å
653	Y	94.1	Very high	94.6	Very high	65 Å²	65	54.1 Å²	54.1	26%	0.255	28%	0.276	S	S	.	.	H	α-helix	trans	-59.7	-33.4	-168	-55.4	-69.1	0	0	0	114.5	V648 G651 A656 L657 K683	V648-Y653 HydrophobicContact CG1-CE1 4.34Å; G651-Y653 WeakPolarHBondContact O-CD2 3.48Å; G651-Y653 WeakPolarHBondContact O-CE2 3.45Å; G651-Y653 PolarHBondContact O-N 2.93Å; Y653-A656 PolarHBondContact O-N 3.24Å; Y653-L657 WeakPolarHBondContact O-CG 3.36Å; Y653-L657 PolarHBondContact O-N 3.16Å; Y653-K683 HydrophobicContact CD1-CB 3.97Å; Y653-K683 HydrophobicContact CD1-CG 4.34Å; Y653-K683 HydrophobicContact CD2-CB 3.87Å; Y653-K683 HydrophobicContact CE1-CB 3.86Å; Y653-K683 HydrophobicContact CE1-CG 3.81Å; Y653-K683 HydrophobicContact CE2-CB 3.76Å; Y653-K683 HydrophobicContact CE2-CG 4.3Å; Y653-K683 HydrophobicContact CG-CB 3.98Å
654	Q	93.3	Very high	94.6	Very high	111 Å²	111	51.2 Å²	51.2	52%	0.519	26%	0.263	S	S	.	.	H	α-helix	trans	-67.4	-36.8	177.5	-66.3	-76.8	11.6	0	0	112.4	Q652 L657 G658 L684	Q652-Q654 VanDerWaalsContact C-N 3.31Å; Q652-Q654 PolarHBondContact O-N 3.46Å; Q654-L657 PolarHBondContact O-N 3.34Å; Q654-G658 PolarHBondContact O-N 2.85Å; Q654-L684 HydrophobicContact CG-CD1 3.99Å; Q654-L684 HydrophobicContact CG-CD2 4.05Å
655	E	92.1	Very high	94.5	Very high	94 Å²	94	59.5 Å²	59.5	44%	0.439	30%	0.299	S	S	.	.	H	α-helix	trans	-71.9	-38.6	176.8	-65.9	167.1	-143.5	0	0	110.3	F647 Q652 G658 K659	F647-E655 HydrophobicContact CD1-CB 3.91Å; F647-E655 VanDerWaalsContact CD1-OE2 3.28Å; F647-E655 WeakPolarHBondContact CD1-OE2 3.4Å; F647-E655 HydrophobicContact CD2-CB 4.44Å; F647-E655 HydrophobicContact CE1-CB 4.2Å; F647-E655 WeakPolarHBondContact CE1-OE2 3.41Å; F647-E655 HydrophobicContact CG-CB 4.05Å; Q652-E655 HydrophobicContact CB-CB 4.39Å; Q652-E655 PolarHBondContact NE2-OE1 2.9Å; Q652-E655 PolarHBondContact NE2-OE2 2.86Å; Q652-E655 PolarHBondContact O-N 3.24Å; Q652-E655 VanDerWaalsContact O-N 3.1Å; E655-G658 PolarHBondContact O-N 3.28Å; E655-K659 PolarHBondContact O-N 2.89Å; E655-K659 VanDerWaalsContact O-N 3.15Å
656	A	95.5	Very high	94.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.9	-43.9	172.1	0	0	0	0	0	112.7	F647 V648 Q652 Y653 G658 K659 Y660	F647-A656 HydrophobicContact CB-CB 3.84Å; V648-A656 HydrophobicContact CG2-CB 3.71Å; Q652-A656 PolarHBondContact O-N 3.08Å; Q652-A656 VanDerWaalsContact O-N 3.13Å; Y653-A656 PolarHBondContact O-N 3.24Å; A656-G658 VanDerWaalsContact C-N 3.28Å; A656-G658 PolarHBondContact O-N 2.72Å; A656-K659 PolarHBondContact O-N 3.28Å; A656-Y660 HydrophobicContact CB-CD2 4.33Å; A656-Y660 HydrophobicContact CB-CE2 3.95Å; A656-Y660 WeakPolarHBondContact O-CD2 3.45Å; A656-Y660 PolarHBondContact O-N 3.15Å
657	L	95.1	Very high	94.1	Very high	12 Å²	12	59.6 Å²	59.6	6%	0.063	30%	0.296	C	S	.	.	H	α-helix	trans	-54.1	-44.3	174.6	-75.5	179.9	0	0	0	111.8	Y653 Q654 A661 R677 C680 Y681 L684	Y653-L657 WeakPolarHBondContact O-CG 3.36Å; Y653-L657 PolarHBondContact O-N 3.16Å; Q654-L657 PolarHBondContact O-N 3.34Å; L657-A661 WeakPolarHBondContact O-CB 3.42Å; L657-A661 PolarHBondContact O-N 3.5Å; L657-R677 HydrophobicContact CD2-CG 3.45Å; L657-R677 VanDerWaalsContact CD2-CG 3.45Å; L657-C680 HydrophobicContact CD2-CB 3.56Å; L657-C680 HydrophobicContact CG-CB 3.86Å; L657-Y681 HydrophobicContact CD1-CD1 3.8Å; L657-Y681 HydrophobicContact CD1-CE1 3.55Å; L657-Y681 HydrophobicContact CD2-CD1 3.92Å; L657-Y681 HydrophobicContact CD2-CD2 3.9Å; L657-Y681 HydrophobicContact CD2-CE1 3.78Å; L657-Y681 HydrophobicContact CD2-CE2 3.75Å; L657-Y681 HydrophobicContact CD2-CG 3.99Å; L657-Y681 HydrophobicContact CG-CE1 4.33Å; L657-L684 HydrophobicContact CD1-CD1 3.62Å; L657-L684 HydrophobicContact CG-CD1 4.38Å
658	G	93.3	Very high	93.9	Very high	39 Å²	39	61.6 Å²	61.6	40%	0.402	31%	0.313	S	S	.	.	H	α-helix	trans	-61.5	-45.7	177.2	0	0	0	0	0	112.7	Q654 E655 A656 A661 E662	Q654-G658 PolarHBondContact O-N 2.85Å; E655-G658 PolarHBondContact O-N 3.28Å; A656-G658 VanDerWaalsContact C-N 3.28Å; A656-G658 PolarHBondContact O-N 2.72Å; G658-A661 PolarHBondContact O-N 3.27Å; G658-E662 PolarHBondContact O-N 3.25Å
659	K	95.9	Very high	93.7	Very high	52 Å²	52	68.5 Å²	68.5	23%	0.226	34%	0.34	C	S	.	.	H	α-helix	trans	-65.8	-42.8	178.4	-64.6	-68.2	174.9	170.3	0	112.6	L640 E643 F647 E655 A656 A661 E662 C663	L640-K659 HydrophobicContact CD2-CD 3.64Å; E643-K659 HydrophobicContact CB-CD 4.35Å; E643-K659 HydrophobicContact CB-CG 4.46Å; E643-K659 WeakPolarHBondContact OE2-CD 3.39Å; E643-K659 WeakPolarHBondContact OE2-CE 3.3Å; E643-K659 IonicContact OE2-NZ 3.82Å; E643-K659 PolarHBondContact OE2-NZ 3.17Å; F647-K659 HydrophobicContact CD2-CG 4.03Å; F647-K659 HydrophobicContact CE2-CG 3.98Å; E655-K659 PolarHBondContact O-N 2.89Å; E655-K659 VanDerWaalsContact O-N 3.15Å; A656-K659 PolarHBondContact O-N 3.28Å; K659-A661 VanDerWaalsContact C-N 3.33Å; K659-A661 PolarHBondContact O-N 2.97Å; K659-E662 PolarHBondContact O-N 3.01Å; K659-C663 PolarHBondContact O-N 3.1Å; K659-C663 PolarHBondContact O-SG 3.29Å
660	Y	96.3	Very high	93.6	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.008	32%	0.318	C	S	.	.	H	α-helix	trans	-65.4	-34.8	174	-64.5	-45.6	0	0	0	112.5	G644 N645 V648 A656 E662 C663 L664 I673 N676 R677	G644-Y660 VanDerWaalsContact C-OH 3.24Å; G644-Y660 PolarHBondContact O-OH 3.25Å; N645-Y660 WeakPolarHBondContact CA-OH 3.43Å; N645-Y660 PolarHBondContact N-OH 3.38Å; N645-Y660 PolarHBondContact OD1-OH 3.15Å; N645-Y660 VanDerWaalsContact OD1-OH 3.06Å; V648-Y660 HydrophobicContact CG2-CE2 3.96Å; A656-Y660 HydrophobicContact CB-CD2 4.33Å; A656-Y660 HydrophobicContact CB-CE2 3.95Å; A656-Y660 WeakPolarHBondContact O-CD2 3.45Å; A656-Y660 PolarHBondContact O-N 3.15Å; Y660-E662 VanDerWaalsContact C-N 3.35Å; Y660-C663 WeakPolarHBondContact O-CB 3.09Å; Y660-C663 PolarHBondContact O-N 3.33Å; Y660-L664 WeakPolarHBondContact O-CG 3.34Å; Y660-L664 PolarHBondContact O-N 2.78Å; Y660-I673 HydrophobicContact CD1-CD1 4.21Å; Y660-I673 HydrophobicContact CD1-CG2 4.02Å; Y660-I673 HydrophobicContact CG-CG2 4.22Å; Y660-I673 WeakPolarHBondContact O-CG2 3.49Å; Y660-N676 HydrophobicContact CE1-CB 4.2Å; Y660-N676 HydrophobicContact CE2-CB 4.12Å; Y660-R677 HydrophobicContact CD2-CB 4.26Å; Y660-R677 HydrophobicContact CG-CB 4.45Å
661	A	95	Very high	93.5	Very high	30 Å²	30	56.5 Å²	56.5	25%	0.248	29%	0.289	C	S	.	.	H	α-helix	trans	-67.5	-30.8	172.6	0	0	0	0	0	113.1	L657 G658 K659 K665	L657-A661 WeakPolarHBondContact O-CB 3.42Å; L657-A661 PolarHBondContact O-N 3.5Å; G658-A661 PolarHBondContact O-N 3.27Å; K659-A661 VanDerWaalsContact C-N 3.33Å; K659-A661 PolarHBondContact O-N 2.97Å; A661-K665 WeakPolarHBondContact O-CG 3.43Å; A661-K665 PolarHBondContact O-N 3.1Å
662	E	94.6	Very high	93.5	Very high	59 Å²	59	56.5 Å²	56.5	28%	0.276	29%	0.286	S	S	.	.	H	α-helix	trans	-70.1	-40	167.6	-75.6	-167.4	-121.8	0	0	112.5	R636 L640 G658 K659 Y660 L664 K665 L666	R636-E662 IonicContact CZ-OE2 3.68Å; R636-E662 IonicContact NE-OE2 2.67Å; R636-E662 IonicContact NH2-OE2 2.7Å; R636-E662 PolarHBondContact NH2-OE2 3.4Å; L640-E662 HydrophobicContact CD1-CB 3.7Å; L640-E662 HydrophobicContact CD2-CB 4.41Å; G658-E662 PolarHBondContact O-N 3.25Å; K659-E662 PolarHBondContact O-N 3.01Å; Y660-E662 VanDerWaalsContact C-N 3.35Å; E662-L664 VanDerWaalsContact C-N 3.32Å; E662-L664 PolarHBondContact O-N 3.13Å; E662-K665 WeakPolarHBondContact O-CB 3.44Å; E662-K665 PolarHBondContact O-N 3.2Å; E662-L666 PolarHBondContact O-N 2.95Å
663	C	95.3	Very high	93.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.1	-45.3	174.5	-71.9	0	0	0	0	112.1	F637 L640 K641 K659 Y660 K665 L666 K667 I673	F637-C663 HydrophobicContact CD2-CB 4Å; F637-C663 HydrophobicContact CE2-CB 3.83Å; L640-C663 VanDerWaalsContact C-SG 3.59Å; L640-C663 WeakPolarHBondContact CB-SG 3.27Å; K641-C663 PolarHBondContact N-SG 3.14Å; K641-C663 VanDerWaalsContact N-SG 3.44Å; K659-C663 PolarHBondContact O-N 3.1Å; K659-C663 PolarHBondContact O-SG 3.29Å; Y660-C663 WeakPolarHBondContact O-CB 3.09Å; Y660-C663 PolarHBondContact O-N 3.33Å; C663-K665 VanDerWaalsContact C-N 3.29Å; C663-K665 PolarHBondContact O-N 3Å; C663-L666 PolarHBondContact O-N 2.95Å; C663-K667 PolarHBondContact O-N 2.93Å; C663-I673 HydrophobicContact CB-CD1 3.97Å; C663-I673 HydrophobicContact CB-CG1 4.1Å; C663-I673 HydrophobicContact CB-CG2 3.95Å
664	L	93.3	Very high	93.6	Very high	16 Å²	16	51.9 Å²	51.9	8%	0.084	27%	0.265	C	S	.	.	H	α-helix	trans	-67.7	-25.8	179.6	-68	174	0	0	0	113.5	Y660 E662 L666 K667 P668 I673 Y674	Y660-L664 WeakPolarHBondContact O-CG 3.34Å; Y660-L664 PolarHBondContact O-N 2.78Å; E662-L664 VanDerWaalsContact C-N 3.32Å; E662-L664 PolarHBondContact O-N 3.13Å; L664-L666 VanDerWaalsContact C-N 3.27Å; L664-L666 PolarHBondContact O-N 3.42Å; L664-K667 CarbonylContact O-C 3.55Å; L664-P668 VanDerWaalsContact O-CA 3.3Å; L664-P668 WeakPolarHBondContact O-CA 2.99Å; L664-P668 WeakPolarHBondContact O-CB 3.28Å; L664-P668 VanDerWaalsContact O-N 3.16Å; L664-I673 HydrophobicContact CD1-CG2 4.18Å; L664-I673 HydrophobicContact CD2-CB 3.89Å; L664-I673 HydrophobicContact CD2-CG2 3.83Å; L664-I673 HydrophobicContact CG-CB 4.29Å; L664-I673 HydrophobicContact CG-CG2 3.65Å; L664-Y674 HydrophobicContact CD1-CD1 3.93Å; L664-Y674 HydrophobicContact CD1-CE1 3.68Å; L664-Y674 HydrophobicContact CD1-CE2 4.34Å; L664-Y674 HydrophobicContact CD1-CG 4.36Å; L664-Y674 HydrophobicContact CD2-CD2 3.73Å; L664-Y674 HydrophobicContact CD2-CE1 4.22Å; L664-Y674 HydrophobicContact CD2-CE2 3.33Å; L664-Y674 HydrophobicContact CD2-CG 4.3Å; L664-Y674 HydrophobicContact CG-CE2 4.45Å
665	K	93.4	Very high	93.7	Very high	175 Å²	175	46.9 Å²	46.9	76%	0.761	24%	0.242	S	C	*	.	H	α-helix	trans	-70.1	-23.3	170.5	-70	171.3	-175.3	176.2	0	113.1	A661 E662 C663	A661-K665 WeakPolarHBondContact O-CG 3.43Å; A661-K665 PolarHBondContact O-N 3.1Å; E662-K665 WeakPolarHBondContact O-CB 3.44Å; E662-K665 PolarHBondContact O-N 3.2Å; C663-K665 VanDerWaalsContact C-N 3.29Å; C663-K665 PolarHBondContact O-N 3Å
666	L	90.9	Very high	93.9	Very high	58 Å²	58	44.3 Å²	44.3	30%	0.304	23%	0.231	S	C	.	.	H	α-helix	trans	-91.6	-39.7	175.8	-61.8	174.4	0	0	0	112	R636 F637 L640 E662 C663 L664	R636-L666 HydrophobicContact CB-CD1 4.05Å; R636-L666 HydrophobicContact CG-CD1 3.82Å; F637-L666 HydrophobicContact CB-CB 4.46Å; F637-L666 HydrophobicContact CB-CD1 4.11Å; F637-L666 HydrophobicContact CD2-CB 4.41Å; L640-L666 HydrophobicContact CD1-CD1 3.88Å; E662-L666 PolarHBondContact O-N 2.95Å; C663-L666 PolarHBondContact O-N 2.95Å; L664-L666 VanDerWaalsContact C-N 3.27Å; L664-L666 PolarHBondContact O-N 3.42Å
667	K	91.4	Very high	93.9	Very high	61 Å²	61	46.4 Å²	46.4	27%	0.265	24%	0.239	S	C	.	.			trans	-138.5	91.1	178.2	-69.7	-172	175.6	178.4	0	110.4	E634 F637 C663 L664 K669	E634-K667 IonicContact OE1-NZ 3.26Å; E634-K667 PolarHBondContact OE1-NZ 3.33Å; E634-K667 VanDerWaalsContact OE2-CE 3.31Å; E634-K667 WeakPolarHBondContact OE2-CE 3.31Å; E634-K667 IonicContact OE2-NZ 3.2Å; E634-K667 PolarHBondContact OE2-NZ 2.87Å; F637-K667 HydrophobicContact CD1-CD 3.83Å; F637-K667 HydrophobicContact CD2-CB 4Å; F637-K667 HydrophobicContact CD2-CD 3.95Å; F637-K667 HydrophobicContact CD2-CG 4Å; F637-K667 HydrophobicContact CE1-CD 3.81Å; F637-K667 HydrophobicContact CE2-CB 3.77Å; F637-K667 HydrophobicContact CE2-CD 3.94Å; F637-K667 HydrophobicContact CE2-CG 4.16Å; F637-K667 HydrophobicContact CG-CD 3.9Å; F637-K667 HydrophobicContact CG-CG 4.28Å; F637-K667 HydrophobicContact CZ-CB 4.34Å; F637-K667 HydrophobicContact CZ-CD 3.87Å; C663-K667 PolarHBondContact O-N 2.93Å; L664-K667 CarbonylContact O-C 3.55Å; K667-K669 PolarHBondContact O-N 2.95Å
668	P	91.7	Very high	93.9	Very high	80 Å²	80	45.9 Å²	45.9	52%	0.519	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-1.9	-179.1	29.9	-36.1	0	0	0	114.1	L664 Y674	L664-P668 VanDerWaalsContact O-CA 3.3Å; L664-P668 WeakPolarHBondContact O-CA 2.99Å; L664-P668 WeakPolarHBondContact O-CB 3.28Å; L664-P668 VanDerWaalsContact O-N 3.16Å; P668-Y674 WeakPolarHBondContact O-CE2 3.32Å; P668-Y674 PolarHBondContact O-OH 3.49Å
669	K	90.8	Very high	94	Very high	177 Å²	177	46 Å²	46	77%	0.77	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.6	8.7	-177.6	-65	-164.5	173.4	-163.9	0	114.6	K667 C671 L700	K667-K669 PolarHBondContact O-N 2.95Å; K669-C671 PolarHBondContact O-N 2.98Å; K669-L700 HydrophobicContact CB-CD2 4.47Å
670	E	92.4	Very high	94	Very high	49 Å²	49	43.6 Å²	43.6	23%	0.229	22%	0.217	C	C	.	.			trans	-96	98	-177.6	-169	151.3	139.3	0	0	113.1	F637 K641 A672 I673	F637-E670 HydrophobicContact CZ-CB 4.23Å; F637-E670 HydrophobicContact CZ-CG 4.26Å; F637-E670 WeakPolarHBondContact CZ-OE2 3.48Å; K641-E670 IonicContact NZ-OE1 2.71Å; K641-E670 PolarHBondContact NZ-OE1 3.19Å; E670-A672 HydrophobicContact CG-CB 4.11Å; E670-A672 PolarHBondContact O-N 3.32Å; E670-A672 VanDerWaalsContact O-N 3.15Å; E670-I673 HydrophobicContact CB-CG1 4.28Å; E670-I673 HydrophobicContact CG-CG1 4.31Å; E670-I673 PolarHBondContact O-N 2.81Å
671	C	92.6	Very high	94.1	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.007	22%	0.222	C	C	.	.	H	α-helix	trans	-49.3	-37.9	177.1	177	0	0	0	0	113.8	K669 I673 Y674 T675 L700 E701 N704	K669-C671 PolarHBondContact O-N 2.98Å; C671-I673 PolarHBondContact O-N 3.02Å; C671-I673 VanDerWaalsContact O-N 3.08Å; C671-Y674 PolarHBondContact O-N 2.87Å; C671-Y674 VanDerWaalsContact O-N 3.15Å; C671-T675 PolarHBondContact O-N 3.16Å; C671-T675 PolarHBondContact O-OG1 3.38Å; C671-L700 HydrophobicContact CB-CB 4.2Å; C671-L700 HydrophobicContact CB-CD1 4.49Å; C671-E701 HydrophobicContact CB-CB 4.35Å; C671-E701 HydrophobicContact CB-CG 3.8Å; C671-E701 WeakPolarHBondContact CB-OE1 3.49Å; C671-E701 WeakPolarHBondContact CB-OE2 3.41Å; C671-E701 VanDerWaalsContact SG-CD 3.58Å; C671-E701 PolarHBondContact SG-OE2 2.67Å; C671-N704 PolarHBondContact SG-ND2 3.27Å; C671-N704 VanDerWaalsContact SG-ND2 3.38Å
672	A	92.4	Very high	94.1	Very high	36 Å²	36	44.4 Å²	44.4	30%	0.298	22%	0.215	S	C	.	.	H	α-helix	trans	-59.7	-20.9	177.9	0	0	0	0	0	114.2	E670 T675 N676	E670-A672 HydrophobicContact CG-CB 4.11Å; E670-A672 PolarHBondContact O-N 3.32Å; E670-A672 VanDerWaalsContact O-N 3.15Å; A672-T675 PolarHBondContact O-OG1 3.22Å; A672-N676 WeakPolarHBondContact O-CB 3.46Å
673	I	95.4	Very high	94.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-85.3	-45.7	173.9	-57.3	-64.1	0	0	0	111.1	F637 K641 Y660 C663 L664 E670 C671 N676 R677	F637-I673 HydrophobicContact CE2-CD1 4.3Å; F637-I673 HydrophobicContact CE2-CG1 4.04Å; F637-I673 HydrophobicContact CZ-CD1 4.2Å; F637-I673 HydrophobicContact CZ-CG1 4.04Å; K641-I673 HydrophobicContact CB-CD1 4.25Å; K641-I673 HydrophobicContact CD-CD1 3.98Å; K641-I673 HydrophobicContact CG-CD1 3.8Å; Y660-I673 HydrophobicContact CD1-CD1 4.21Å; Y660-I673 HydrophobicContact CD1-CG2 4.02Å; Y660-I673 HydrophobicContact CG-CG2 4.22Å; Y660-I673 WeakPolarHBondContact O-CG2 3.49Å; C663-I673 HydrophobicContact CB-CD1 3.97Å; C663-I673 HydrophobicContact CB-CG1 4.1Å; C663-I673 HydrophobicContact CB-CG2 3.95Å; L664-I673 HydrophobicContact CD1-CG2 4.18Å; L664-I673 HydrophobicContact CD2-CB 3.89Å; L664-I673 HydrophobicContact CD2-CG2 3.83Å; L664-I673 HydrophobicContact CG-CB 4.29Å; L664-I673 HydrophobicContact CG-CG2 3.65Å; E670-I673 HydrophobicContact CB-CG1 4.28Å; E670-I673 HydrophobicContact CG-CG1 4.31Å; E670-I673 PolarHBondContact O-N 2.81Å; C671-I673 PolarHBondContact O-N 3.02Å; C671-I673 VanDerWaalsContact O-N 3.08Å; I673-N676 PolarHBondContact O-N 3.41Å; I673-R677 WeakPolarHBondContact O-CB 3.45Å; I673-R677 PolarHBondContact O-N 3.04Å
674	Y	95.8	Very high	94.1	Very high	38 Å²	38	50.1 Å²	50.1	15%	0.149	24%	0.241	C	C	.	.	H	α-helix	trans	-56.6	-51.7	176.5	-73.5	-80.9	0	0	0	111.6	L664 P668 C671 N676 R677 A678 A696 L700	L664-Y674 HydrophobicContact CD1-CD1 3.93Å; L664-Y674 HydrophobicContact CD1-CE1 3.68Å; L664-Y674 HydrophobicContact CD1-CE2 4.34Å; L664-Y674 HydrophobicContact CD1-CG 4.36Å; L664-Y674 HydrophobicContact CD2-CD2 3.73Å; L664-Y674 HydrophobicContact CD2-CE1 4.22Å; L664-Y674 HydrophobicContact CD2-CE2 3.33Å; L664-Y674 HydrophobicContact CD2-CG 4.3Å; L664-Y674 HydrophobicContact CG-CE2 4.45Å; P668-Y674 WeakPolarHBondContact O-CE2 3.32Å; P668-Y674 PolarHBondContact O-OH 3.49Å; C671-Y674 PolarHBondContact O-N 2.87Å; C671-Y674 VanDerWaalsContact O-N 3.15Å; Y674-N676 VanDerWaalsContact C-N 3.3Å; Y674-N676 PolarHBondContact O-N 2.91Å; Y674-R677 PolarHBondContact O-N 2.95Å; Y674-R677 VanDerWaalsContact O-N 3.08Å; Y674-A678 PolarHBondContact O-N 3.44Å; Y674-A696 HydrophobicContact CD1-CB 4.04Å; Y674-A696 HydrophobicContact CE1-CB 4.07Å; Y674-L700 HydrophobicContact CD2-CD1 3.8Å; Y674-L700 HydrophobicContact CE2-CD1 3.67Å
675	T	95.1	Very high	94.1	Very high	6 Å²	6	56.7 Å²	56.7	4%	0.037	27%	0.272	C	S	.	.	H	α-helix	trans	-57.5	-41.1	177.3	51.9	0	0	0	0	112.4	C671 A672 L679 A697 A707 R710	C671-T675 PolarHBondContact O-N 3.16Å; C671-T675 PolarHBondContact O-OG1 3.38Å; A672-T675 PolarHBondContact O-OG1 3.22Å; T675-L679 PolarHBondContact O-N 3.04Å; T675-L679 VanDerWaalsContact O-N 3.16Å; T675-A697 HydrophobicContact CG2-CB 3.66Å; T675-A707 HydrophobicContact CG2-CB 3.85Å; T675-R710 WeakPolarHBondContact O-CD 3.45Å; T675-R710 PolarHBondContact O-NH1 2.73Å
676	N	95	Very high	94.2	Very high	39 Å²	39	52.5 Å²	52.5	21%	0.209	25%	0.251	C	S	.	.	H	α-helix	trans	-73.7	-27.4	178.1	-80.2	0.2	0	0	0	113.4	N645 Y660 A672 I673 Y674 C680 R710	N645-N676 PolarHBondContact OD1-ND2 3.36Å; Y660-N676 HydrophobicContact CE1-CB 4.2Å; Y660-N676 HydrophobicContact CE2-CB 4.12Å; A672-N676 WeakPolarHBondContact O-CB 3.46Å; I673-N676 PolarHBondContact O-N 3.41Å; Y674-N676 VanDerWaalsContact C-N 3.3Å; Y674-N676 PolarHBondContact O-N 2.91Å; N676-C680 PolarHBondContact O-N 3.42Å; N676-C680 PolarHBondContact O-SG 2.7Å; N676-R710 PolarHBondContact OD1-NH1 2.88Å
677	R	96.1	Very high	94.4	Very high	45 Å²	45	52.2 Å²	52.2	17%	0.17	25%	0.248	C	C	.	.	H	α-helix	trans	-73	-41.8	172.2	-164.1	175.7	71.5	170.6	-2.2	111.2	L657 Y660 I673 Y674 L679 C680 Y681 D693	L657-R677 HydrophobicContact CD2-CG 3.45Å; L657-R677 VanDerWaalsContact CD2-CG 3.45Å; Y660-R677 HydrophobicContact CD2-CB 4.26Å; Y660-R677 HydrophobicContact CG-CB 4.45Å; I673-R677 WeakPolarHBondContact O-CB 3.45Å; I673-R677 PolarHBondContact O-N 3.04Å; Y674-R677 PolarHBondContact O-N 2.95Å; Y674-R677 VanDerWaalsContact O-N 3.08Å; R677-L679 VanDerWaalsContact C-N 3.32Å; R677-L679 PolarHBondContact O-N 3.02Å; R677-C680 WeakPolarHBondContact O-CA 3.29Å; R677-C680 WeakPolarHBondContact O-CB 3.36Å; R677-C680 PolarHBondContact O-N 3.08Å; R677-Y681 HydrophobicContact CG-CD2 4.29Å; R677-Y681 HydrophobicContact CG-CE2 3.81Å; R677-Y681 WeakPolarHBondContact O-CD2 3.44Å; R677-Y681 PolarHBondContact O-N 2.96Å; R677-D693 WeakPolarHBondContact CB-OD2 3.04Å; R677-D693 VanDerWaalsContact CG-OD2 3.24Å; R677-D693 WeakPolarHBondContact CG-OD2 3.48Å; R677-D693 IonicContact CZ-OD1 2.61Å; R677-D693 IonicContact CZ-OD2 3.67Å; R677-D693 IonicContact NE-OD1 2.72Å; R677-D693 PolarHBondContact NE-OD1 2.92Å; R677-D693 IonicContact NE-OD2 2.62Å; R677-D693 PolarHBondContact NE-OD2 3.13Å; R677-D693 IonicContact NH2-OD1 2.67Å; R677-D693 PolarHBondContact NH2-OD1 2.87Å; R677-D693 IonicContact NH2-OD2 3.36Å
678	A	96	Very high	94.6	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-54.3	-43.7	169.2	0	0	0	0	0	112.7	Y674 C680 Y681 L682 D693 C694	Y674-A678 PolarHBondContact O-N 3.44Å; A678-C680 VanDerWaalsContact C-N 3.26Å; A678-C680 PolarHBondContact O-N 3.15Å; A678-Y681 PolarHBondContact O-N 3.44Å; A678-Y681 VanDerWaalsContact O-N 3.12Å; A678-L682 WeakPolarHBondContact O-CG 3.41Å; A678-L682 PolarHBondContact O-N 2.98Å; A678-D693 HydrophobicContact CB-CB 3.72Å; A678-D693 PolarHBondContact N-OD2 3.29Å; A678-C694 WeakPolarHBondContact CB-SG 3.33Å
679	L	95.4	Very high	94.7	Very high	43 Å²	43	50.5 Å²	50.5	23%	0.225	24%	0.243	C	C	.	.	H	α-helix	trans	-58.6	-37.6	175.9	178	63.3	0	0	0	112.4	T675 R677 K683	T675-L679 PolarHBondContact O-N 3.04Å; T675-L679 VanDerWaalsContact O-N 3.16Å; R677-L679 VanDerWaalsContact C-N 3.32Å; R677-L679 PolarHBondContact O-N 3.02Å; L679-K683 WeakPolarHBondContact O-CG 3.39Å; L679-K683 PolarHBondContact O-N 3.29Å; L679-K683 VanDerWaalsContact O-N 3.1Å
680	C	96.1	Very high	95	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-69.2	-40.9	175.8	-60.1	0	0	0	0	111.4	V648 L657 N676 R677 A678 K683 L684	V648-C680 VanDerWaalsContact CG2-SG 3.5Å; L657-C680 HydrophobicContact CD2-CB 3.56Å; L657-C680 HydrophobicContact CG-CB 3.86Å; N676-C680 PolarHBondContact O-N 3.42Å; N676-C680 PolarHBondContact O-SG 2.7Å; R677-C680 WeakPolarHBondContact O-CA 3.29Å; R677-C680 WeakPolarHBondContact O-CB 3.36Å; R677-C680 PolarHBondContact O-N 3.08Å; A678-C680 VanDerWaalsContact C-N 3.26Å; A678-C680 PolarHBondContact O-N 3.15Å; C680-K683 PolarHBondContact O-N 2.99Å; C680-L684 WeakPolarHBondContact O-CB 3.46Å; C680-L684 WeakPolarHBondContact O-CD1 3.31Å; C680-L684 VanDerWaalsContact O-CG 3.28Å; C680-L684 WeakPolarHBondContact O-CG 3.49Å; C680-L684 PolarHBondContact O-N 3.15Å; C680-L684 VanDerWaalsContact O-N 3.08Å
681	Y	97.1	Very high	95.2	Very high	30 Å²	30	42.3 Å²	42.3	12%	0.118	21%	0.207	C	C	.	.	H	α-helix	trans	-62.2	-42.4	173.7	-72.2	-57.9	0	0	0	112.3	L657 R677 A678 K683 L684 Q685 R686 E689 D693	L657-Y681 HydrophobicContact CD1-CD1 3.8Å; L657-Y681 HydrophobicContact CD1-CE1 3.55Å; L657-Y681 HydrophobicContact CD2-CD1 3.92Å; L657-Y681 HydrophobicContact CD2-CD2 3.9Å; L657-Y681 HydrophobicContact CD2-CE1 3.78Å; L657-Y681 HydrophobicContact CD2-CE2 3.75Å; L657-Y681 HydrophobicContact CD2-CG 3.99Å; L657-Y681 HydrophobicContact CG-CE1 4.33Å; R677-Y681 HydrophobicContact CG-CD2 4.29Å; R677-Y681 HydrophobicContact CG-CE2 3.81Å; R677-Y681 WeakPolarHBondContact O-CD2 3.44Å; R677-Y681 PolarHBondContact O-N 2.96Å; A678-Y681 PolarHBondContact O-N 3.44Å; A678-Y681 VanDerWaalsContact O-N 3.12Å; Y681-K683 PolarHBondContact O-N 3.44Å; Y681-L684 CarbonylContact O-C 3.5Å; Y681-L684 WeakPolarHBondContact O-CA 3.46Å; Y681-L684 PolarHBondContact O-N 3.06Å; Y681-L684 VanDerWaalsContact O-N 3.1Å; Y681-Q685 PolarHBondContact O-N 3.35Å; Y681-Q685 VanDerWaalsContact O-N 3.09Å; Y681-R686 HydrophobicContact CD1-CB 3.85Å; Y681-R686 HydrophobicContact CG-CB 4.45Å; Y681-R686 PolarHBondContact O-N 3.4Å; Y681-E689 HydrophobicContact CD1-CB 3.97Å; Y681-E689 HydrophobicContact CD2-CB 4.13Å; Y681-E689 HydrophobicContact CE1-CB 3.99Å; Y681-E689 HydrophobicContact CE2-CB 4.16Å; Y681-E689 HydrophobicContact CG-CB 4.04Å; Y681-D693 WeakPolarHBondContact CD2-OD2 3.43Å; Y681-D693 VanDerWaalsContact CE2-OD2 3.24Å; Y681-D693 WeakPolarHBondContact CE2-OD2 3.36Å
682	L	95.5	Very high	95.3	Very high	20 Å²	20	48.4 Å²	48.4	11%	0.105	24%	0.235	C	C	.	.	H	α-helix	trans	-57.9	-47.8	173.4	-70.7	177.4	0	0	0	112	A678 L684 Q685 F687 A690 R710 L713 A714	A678-L682 WeakPolarHBondContact O-CG 3.41Å; A678-L682 PolarHBondContact O-N 2.98Å; L682-L684 PolarHBondContact O-N 2.97Å; L682-Q685 PolarHBondContact O-N 2.65Å; L682-F687 HydrophobicContact CD2-CD1 3.97Å; L682-F687 HydrophobicContact CD2-CE1 4.43Å; L682-A690 HydrophobicContact CD2-CB 3.75Å; L682-A690 HydrophobicContact CG-CB 3.91Å; L682-R710 HydrophobicContact CD1-CB 3.95Å; L682-R710 HydrophobicContact CD1-CG 4.03Å; L682-L713 HydrophobicContact CD1-CB 4.07Å; L682-L713 HydrophobicContact CD1-CD1 4.37Å; L682-L713 HydrophobicContact CD2-CB 4.19Å; L682-A714 HydrophobicContact CD2-CB 3.92Å
683	K	94.7	Very high	95.5	Very high	130 Å²	130	47.1 Å²	47.1	57%	0.565	22%	0.223	S	C	*	.	H	α-helix	trans	-67.8	-15.5	177.6	-67	-61.1	-174.8	-171.5	0	113.7	Y653 L679 C680 Y681	Y653-K683 HydrophobicContact CD1-CB 3.97Å; Y653-K683 HydrophobicContact CD1-CG 4.34Å; Y653-K683 HydrophobicContact CD2-CB 3.87Å; Y653-K683 HydrophobicContact CE1-CB 3.86Å; Y653-K683 HydrophobicContact CE1-CG 3.81Å; Y653-K683 HydrophobicContact CE2-CB 3.76Å; Y653-K683 HydrophobicContact CE2-CG 4.3Å; Y653-K683 HydrophobicContact CG-CB 3.98Å; L679-K683 WeakPolarHBondContact O-CG 3.39Å; L679-K683 PolarHBondContact O-N 3.29Å; L679-K683 VanDerWaalsContact O-N 3.1Å; C680-K683 PolarHBondContact O-N 2.99Å; Y681-K683 PolarHBondContact O-N 3.44Å
684	L	94.6	Very high	95.5	Very high	49 Å²	49	47.1 Å²	47.1	26%	0.257	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	8.3	172.7	-67.4	167.9	0	0	0	113.2	Q654 L657 C680 Y681 L682 R686	Q654-L684 HydrophobicContact CG-CD1 3.99Å; Q654-L684 HydrophobicContact CG-CD2 4.05Å; L657-L684 HydrophobicContact CD1-CD1 3.62Å; L657-L684 HydrophobicContact CG-CD1 4.38Å; C680-L684 WeakPolarHBondContact O-CB 3.46Å; C680-L684 WeakPolarHBondContact O-CD1 3.31Å; C680-L684 VanDerWaalsContact O-CG 3.28Å; C680-L684 WeakPolarHBondContact O-CG 3.49Å; C680-L684 PolarHBondContact O-N 3.15Å; C680-L684 VanDerWaalsContact O-N 3.08Å; Y681-L684 CarbonylContact O-C 3.5Å; Y681-L684 WeakPolarHBondContact O-CA 3.46Å; Y681-L684 PolarHBondContact O-N 3.06Å; Y681-L684 VanDerWaalsContact O-N 3.1Å; L682-L684 PolarHBondContact O-N 2.97Å; L684-R686 HydrophobicContact CB-CG 4.26Å; L684-R686 PolarHBondContact O-N 3.28Å
685	Q	93.8	Very high	95.5	Very high	154 Å²	154	47.6 Å²	47.6	72%	0.72	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	22.6	-177.3	-58.3	178.3	-14.6	0	0	114.4	Y681 L682 F687	Y681-Q685 PolarHBondContact O-N 3.35Å; Y681-Q685 VanDerWaalsContact O-N 3.09Å; L682-Q685 PolarHBondContact O-N 2.65Å; Q685-F687 VanDerWaalsContact C-N 3.3Å; Q685-F687 HydrophobicContact CB-CE2 3.94Å; Q685-F687 HydrophobicContact CB-CZ 3.91Å; Q685-F687 HydrophobicContact CG-CE2 4.49Å; Q685-F687 HydrophobicContact CG-CZ 4.07Å; Q685-F687 WeakPolarHBondContact O-CD2 3.43Å; Q685-F687 PolarHBondContact O-N 3.4Å; Q685-F687 VanDerWaalsContact O-N 3.17Å
686	R	95.7	Very high	95.5	Very high	86 Å²	86	48.4 Å²	48.4	33%	0.325	24%	0.235	S	C	.	.			trans	-91.6	59.8	-179.7	-70.6	171.9	68.2	170.3	6.5	110.6	Y681 L684 G688 E689 A690	Y681-R686 HydrophobicContact CD1-CB 3.85Å; Y681-R686 HydrophobicContact CG-CB 4.45Å; Y681-R686 PolarHBondContact O-N 3.4Å; L684-R686 HydrophobicContact CB-CG 4.26Å; L684-R686 PolarHBondContact O-N 3.28Å; R686-G688 PolarHBondContact O-N 3.07Å; R686-E689 IonicContact CZ-OE1 3.71Å; R686-E689 IonicContact CZ-OE2 3.23Å; R686-E689 VanDerWaalsContact CZ-OE2 3.22Å; R686-E689 IonicContact NE-OE1 2.7Å; R686-E689 IonicContact NE-OE2 3.91Å; R686-E689 PolarHBondContact NE-OE2 3.17Å; R686-E689 IonicContact NH2-OE1 3.74Å; R686-E689 PolarHBondContact NH2-OE1 3.28Å; R686-E689 IonicContact NH2-OE2 2.7Å; R686-E689 PolarHBondContact NH2-OE2 3.42Å; R686-E689 PolarHBondContact O-N 3.25Å; R686-A690 PolarHBondContact O-N 3.28Å; R686-A690 VanDerWaalsContact O-N 3.07Å
687	F	95.1	Very high	95.5	Very high	53 Å²	53	46.5 Å²	46.5	23%	0.232	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-36	-165.5	-54.4	-65.9	0	0	0	114.5	L682 Q685 E689 A690 K691 G717 L718	L682-F687 HydrophobicContact CD2-CD1 3.97Å; L682-F687 HydrophobicContact CD2-CE1 4.43Å; Q685-F687 VanDerWaalsContact C-N 3.3Å; Q685-F687 HydrophobicContact CB-CE2 3.94Å; Q685-F687 HydrophobicContact CB-CZ 3.91Å; Q685-F687 HydrophobicContact CG-CE2 4.49Å; Q685-F687 HydrophobicContact CG-CZ 4.07Å; Q685-F687 WeakPolarHBondContact O-CD2 3.43Å; Q685-F687 PolarHBondContact O-N 3.4Å; Q685-F687 VanDerWaalsContact O-N 3.17Å; F687-E689 PolarHBondContact O-N 2.88Å; F687-A690 WeakPolarHBondContact O-CB 3.27Å; F687-A690 PolarHBondContact O-N 3.02Å; F687-K691 PolarHBondContact O-N 3.42Å; F687-G717 WeakPolarHBondContact CD2-O 3.46Å; F687-L718 HydrophobicContact CB-CD1 4.45Å; F687-L718 HydrophobicContact CB-CD2 3.92Å; F687-L718 HydrophobicContact CB-CG 3.76Å
688	G	94.3	Very high	95.4	Very high	36 Å²	36	45.2 Å²	45.2	37%	0.371	22%	0.222	S	C	.	.	H	α-helix	trans	-63.2	-40.1	177.9	0	0	0	0	0	113.8	R686 K691 Q692	R686-G688 PolarHBondContact O-N 3.07Å; G688-K691 PolarHBondContact O-N 3.29Å; G688-Q692 WeakPolarHBondContact O-CG 3.5Å; G688-Q692 PolarHBondContact O-N 3.36Å
689	E	95.1	Very high	95.3	Very high	68 Å²	68	53.1 Å²	53.1	32%	0.318	26%	0.259	S	S	.	.	H	α-helix	trans	-76.3	-30.8	176.4	-65.2	165.3	111.7	0	0	111.3	Y681 R686 F687 D693	Y681-E689 HydrophobicContact CD1-CB 3.97Å; Y681-E689 HydrophobicContact CD2-CB 4.13Å; Y681-E689 HydrophobicContact CE1-CB 3.99Å; Y681-E689 HydrophobicContact CE2-CB 4.16Å; Y681-E689 HydrophobicContact CG-CB 4.04Å; R686-E689 IonicContact CZ-OE1 3.71Å; R686-E689 IonicContact CZ-OE2 3.23Å; R686-E689 VanDerWaalsContact CZ-OE2 3.22Å; R686-E689 IonicContact NE-OE1 2.7Å; R686-E689 IonicContact NE-OE2 3.91Å; R686-E689 PolarHBondContact NE-OE2 3.17Å; R686-E689 IonicContact NH2-OE1 3.74Å; R686-E689 PolarHBondContact NH2-OE1 3.28Å; R686-E689 IonicContact NH2-OE2 2.7Å; R686-E689 PolarHBondContact NH2-OE2 3.42Å; R686-E689 PolarHBondContact O-N 3.25Å; F687-E689 PolarHBondContact O-N 2.88Å; E689-D693 PolarHBondContact O-N 3.1Å
690	A	96.6	Very high	95.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.8	-39.1	170.2	0	0	0	0	0	112.4	L682 R686 F687 C694 A714	L682-A690 HydrophobicContact CD2-CB 3.75Å; L682-A690 HydrophobicContact CG-CB 3.91Å; R686-A690 PolarHBondContact O-N 3.28Å; R686-A690 VanDerWaalsContact O-N 3.07Å; F687-A690 WeakPolarHBondContact O-CB 3.27Å; F687-A690 PolarHBondContact O-N 3.02Å; A690-C694 PolarHBondContact O-N 3.43Å; A690-C694 VanDerWaalsContact O-N 3.13Å; A690-C694 PolarHBondContact O-SG 2.86Å; A690-A714 HydrophobicContact CB-CB 4.07Å
691	K	96.4	Very high	95	Very high	54 Å²	54	58.6 Å²	58.6	24%	0.235	29%	0.285	C	S	.	.	H	α-helix	trans	-61	-52.9	174.3	-177.3	167.5	-173	161.3	0	110.5	F687 G688 D693 C694 D695 R711 A714 N715 L718 D720	F687-K691 PolarHBondContact O-N 3.42Å; G688-K691 PolarHBondContact O-N 3.29Å; K691-D693 VanDerWaalsContact C-N 3.35Å; K691-D693 PolarHBondContact O-N 3.27Å; K691-C694 CarbonylContact O-C 3.58Å; K691-C694 WeakPolarHBondContact O-CA 3.45Å; K691-C694 WeakPolarHBondContact O-CB 3.4Å; K691-C694 PolarHBondContact O-N 3.11Å; K691-D695 WeakPolarHBondContact CG-OD2 3.18Å; K691-D695 PolarHBondContact O-N 3.46Å; K691-D695 VanDerWaalsContact O-OD2 3.13Å; K691-R711 HydrophobicContact CG-CG 4.19Å; K691-A714 HydrophobicContact CB-CB 4.16Å; K691-N715 VanDerWaalsContact CD-OD1 3.31Å; K691-N715 WeakPolarHBondContact CD-OD1 3.24Å; K691-N715 VanDerWaalsContact CE-OD1 3.23Å; K691-N715 WeakPolarHBondContact CE-OD1 3.49Å; K691-N715 PolarHBondContact NZ-OD1 3.15Å; K691-L718 HydrophobicContact CD-CD1 4.08Å; K691-D720 IonicContact NZ-OD2 2.72Å; K691-D720 PolarHBondContact NZ-OD2 3Å
692	Q	96	Very high	94.8	Very high	130 Å²	130	61.1 Å²	61.1	61%	0.607	31%	0.305	S	S	*	.	H	α-helix	trans	-55.6	-42.6	177.6	-70.5	172.4	-8.8	0	0	113.7	G688 C694 D695 A696	G688-Q692 WeakPolarHBondContact O-CG 3.5Å; G688-Q692 PolarHBondContact O-N 3.36Å; Q692-C694 VanDerWaalsContact C-N 3.32Å; Q692-C694 PolarHBondContact O-N 2.9Å; Q692-D695 PolarHBondContact O-N 2.96Å; Q692-A696 WeakPolarHBondContact O-CB 3.38Å; Q692-A696 PolarHBondContact O-N 3.2Å
693	D	95.3	Very high	94.6	Very high	8 Å²	8	66.4 Å²	66.4	4%	0.043	33%	0.333	C	S	.	.	H	α-helix	trans	-68.7	-28	175.6	-92.2	-4.2	0	0	0	113.3	R677 A678 Y681 E689 K691 A697	R677-D693 WeakPolarHBondContact CB-OD2 3.04Å; R677-D693 VanDerWaalsContact CG-OD2 3.24Å; R677-D693 WeakPolarHBondContact CG-OD2 3.48Å; R677-D693 IonicContact CZ-OD1 2.61Å; R677-D693 IonicContact CZ-OD2 3.67Å; R677-D693 IonicContact NE-OD1 2.72Å; R677-D693 PolarHBondContact NE-OD1 2.92Å; R677-D693 IonicContact NE-OD2 2.62Å; R677-D693 PolarHBondContact NE-OD2 3.13Å; R677-D693 IonicContact NH2-OD1 2.67Å; R677-D693 PolarHBondContact NH2-OD1 2.87Å; R677-D693 IonicContact NH2-OD2 3.36Å; A678-D693 HydrophobicContact CB-CB 3.72Å; A678-D693 PolarHBondContact N-OD2 3.29Å; Y681-D693 WeakPolarHBondContact CD2-OD2 3.43Å; Y681-D693 VanDerWaalsContact CE2-OD2 3.24Å; Y681-D693 WeakPolarHBondContact CE2-OD2 3.36Å; E689-D693 PolarHBondContact O-N 3.1Å; K691-D693 VanDerWaalsContact C-N 3.35Å; K691-D693 PolarHBondContact O-N 3.27Å; D693-A697 WeakPolarHBondContact O-CB 3.37Å; D693-A697 PolarHBondContact O-N 2.88Å
694	C	95.6	Very high	94.5	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-78.6	-36.6	173.8	-66.9	0	0	0	0	112	A678 A690 K691 Q692 A697 L698 R710 R711	A678-C694 WeakPolarHBondContact CB-SG 3.33Å; A690-C694 PolarHBondContact O-N 3.43Å; A690-C694 VanDerWaalsContact O-N 3.13Å; A690-C694 PolarHBondContact O-SG 2.86Å; K691-C694 CarbonylContact O-C 3.58Å; K691-C694 WeakPolarHBondContact O-CA 3.45Å; K691-C694 WeakPolarHBondContact O-CB 3.4Å; K691-C694 PolarHBondContact O-N 3.11Å; Q692-C694 VanDerWaalsContact C-N 3.32Å; Q692-C694 PolarHBondContact O-N 2.9Å; C694-A697 WeakPolarHBondContact O-CB 3.29Å; C694-A697 PolarHBondContact O-N 3.49Å; C694-L698 WeakPolarHBondContact O-CG 3.46Å; C694-L698 PolarHBondContact O-N 2.88Å; C694-R710 WeakPolarHBondContact SG-CB 3.46Å; C694-R711 HydrophobicContact CB-CB 3.72Å; C694-R711 HydrophobicContact CB-CG 4.17Å
695	D	96	Very high	94.4	Very high	48 Å²	48	63.3 Å²	63.3	26%	0.257	32%	0.319	S	S	.	.	H	α-helix	trans	-62	-50.2	173.9	-64.4	-39.7	0	0	0	110.3	K691 Q692 A697 L698 E699 R711	K691-D695 WeakPolarHBondContact CG-OD2 3.18Å; K691-D695 PolarHBondContact O-N 3.46Å; K691-D695 VanDerWaalsContact O-OD2 3.13Å; Q692-D695 PolarHBondContact O-N 2.96Å; D695-A697 PolarHBondContact O-N 3.12Å; D695-L698 PolarHBondContact O-N 2.81Å; D695-E699 PolarHBondContact O-N 3.35Å; D695-R711 WeakPolarHBondContact OD1-CD 3.03Å; D695-R711 IonicContact OD1-CZ 2.69Å; D695-R711 IonicContact OD1-NE 2.77Å; D695-R711 IonicContact OD1-NH1 3.82Å; D695-R711 PolarHBondContact OD1-NH1 3.43Å
696	A	94.4	Very high	94.3	Very high	23 Å²	23	62.1 Å²	62.1	19%	0.19	31%	0.311	C	S	.	.	H	α-helix	trans	-63.5	-22.3	174.4	0	0	0	0	0	113.9	Y674 Q692 L700	Y674-A696 HydrophobicContact CD1-CB 4.04Å; Y674-A696 HydrophobicContact CE1-CB 4.07Å; Q692-A696 WeakPolarHBondContact O-CB 3.38Å; Q692-A696 PolarHBondContact O-N 3.2Å; A696-L700 WeakPolarHBondContact O-CD1 3.27Å; A696-L700 WeakPolarHBondContact O-CG 3.41Å
697	A	95.4	Very high	94.2	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-76.4	-38.5	171.2	0	0	0	0	0	112.1	T675 D693 C694 D695 L700 E701 A707	T675-A697 HydrophobicContact CG2-CB 3.66Å; D693-A697 WeakPolarHBondContact O-CB 3.37Å; D693-A697 PolarHBondContact O-N 2.88Å; C694-A697 WeakPolarHBondContact O-CB 3.29Å; C694-A697 PolarHBondContact O-N 3.49Å; D695-A697 PolarHBondContact O-N 3.12Å; A697-L700 PolarHBondContact O-N 2.91Å; A697-E701 PolarHBondContact O-N 3.42Å; A697-A707 HydrophobicContact CB-CB 3.82Å
698	L	94.1	Very high	94.2	Very high	18 Å²	18	56.8 Å²	56.8	9%	0.094	29%	0.291	C	S	.	.	H	α-helix	trans	-74.8	-29.2	177.9	-68.6	166.1	0	0	0	112.5	C694 D695 L700 E701 P702 A707 F708	C694-L698 WeakPolarHBondContact O-CG 3.46Å; C694-L698 PolarHBondContact O-N 2.88Å; D695-L698 PolarHBondContact O-N 2.81Å; L698-L700 PolarHBondContact O-N 3.1Å; L698-E701 CarbonylContact O-C 3.46Å; L698-P702 WeakPolarHBondContact CD2-O 3.27Å; L698-P702 WeakPolarHBondContact O-CA 3.32Å; L698-A707 HydrophobicContact CD1-CB 4.39Å; L698-A707 HydrophobicContact CD2-CB 3.79Å; L698-A707 HydrophobicContact CG-CB 3.73Å; L698-F708 HydrophobicContact CD1-CD1 3.81Å; L698-F708 HydrophobicContact CD1-CE1 3.87Å; L698-F708 HydrophobicContact CD1-CG 4.24Å; L698-F708 HydrophobicContact CD1-CZ 4.36Å; L698-F708 HydrophobicContact CD2-CD1 4.22Å; L698-F708 HydrophobicContact CD2-CD2 3.68Å; L698-F708 HydrophobicContact CD2-CE1 4.12Å; L698-F708 HydrophobicContact CD2-CE2 3.57Å; L698-F708 HydrophobicContact CD2-CG 4.01Å; L698-F708 HydrophobicContact CD2-CZ 3.8Å
699	E	94.4	Very high	94.2	Very high	165 Å²	165	57.1 Å²	57.1	77%	0.771	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.3	167.2	-73.5	177.6	179.1	0	0	112.9	D695	D695-E699 PolarHBondContact O-N 3.35Å
700	L	92.5	Very high	94.2	Very high	67 Å²	67	55.7 Å²	55.7	35%	0.351	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-38.4	179.3	-69.2	171.8	0	0	0	112.9	K669 C671 Y674 A696 A697 L698	K669-L700 HydrophobicContact CB-CD2 4.47Å; C671-L700 HydrophobicContact CB-CB 4.2Å; C671-L700 HydrophobicContact CB-CD1 4.49Å; Y674-L700 HydrophobicContact CD2-CD1 3.8Å; Y674-L700 HydrophobicContact CE2-CD1 3.67Å; A696-L700 WeakPolarHBondContact O-CD1 3.27Å; A696-L700 WeakPolarHBondContact O-CG 3.41Å; A697-L700 PolarHBondContact O-N 2.91Å; L698-L700 PolarHBondContact O-N 3.1Å
701	E	92.8	Very high	94.2	Very high	92 Å²	92	58.1 Å²	58.1	43%	0.43	28%	0.283	S	S	.	.			trans	-139.8	88.1	-179.5	-68.7	175.3	-173.9	0	0	109.5	C671 A697 L698 D703 N704	C671-E701 HydrophobicContact CB-CB 4.35Å; C671-E701 HydrophobicContact CB-CG 3.8Å; C671-E701 WeakPolarHBondContact CB-OE1 3.49Å; C671-E701 WeakPolarHBondContact CB-OE2 3.41Å; C671-E701 VanDerWaalsContact SG-CD 3.58Å; C671-E701 PolarHBondContact SG-OE2 2.67Å; A697-E701 PolarHBondContact O-N 3.42Å; L698-E701 CarbonylContact O-C 3.46Å; E701-D703 VanDerWaalsContact C-N 3.27Å; E701-D703 PolarHBondContact O-N 3.04Å; E701-N704 HydrophobicContact CB-CB 3.97Å; E701-N704 VanDerWaalsContact O-CB 3.24Å; E701-N704 WeakPolarHBondContact O-CB 3.4Å; E701-N704 PolarHBondContact O-N 2.82Å; E701-N704 VanDerWaalsContact O-N 3.1Å; E701-N704 PolarHBondContact OE2-ND2 2.72Å
702	P	92.1	Very high	94.1	Very high	82 Å²	82	55.6 Å²	55.6	53%	0.532	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-37.7	-175.4	-29.6	36.5	0	0	0	114.1	L698 N704 F708	L698-P702 WeakPolarHBondContact CD2-O 3.27Å; L698-P702 WeakPolarHBondContact O-CA 3.32Å; P702-N704 PolarHBondContact O-N 3.25Å; P702-F708 WeakPolarHBondContact O-CE2 3.38Å
703	D	91.4	Very high	94.1	Very high	132 Å²	132	51.6 Å²	51.6	71%	0.706	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	10.5	-176.8	-47.7	-43.3	0	0	0	113.6	E701 K705	E701-D703 VanDerWaalsContact C-N 3.27Å; E701-D703 PolarHBondContact O-N 3.04Å; D703-K705 PolarHBondContact O-N 2.92Å
704	N	92.1	Very high	94.1	Very high	26 Å²	26	51.2 Å²	51.2	14%	0.139	25%	0.252	C	S	.	.			trans	-76.9	89.6	-172.4	-166.2	-45.5	0	0	0	112.2	C671 E701 P702 K706 A707 F708	C671-N704 PolarHBondContact SG-ND2 3.27Å; C671-N704 VanDerWaalsContact SG-ND2 3.38Å; E701-N704 HydrophobicContact CB-CB 3.97Å; E701-N704 VanDerWaalsContact O-CB 3.24Å; E701-N704 WeakPolarHBondContact O-CB 3.4Å; E701-N704 PolarHBondContact O-N 2.82Å; E701-N704 VanDerWaalsContact O-N 3.1Å; E701-N704 PolarHBondContact OE2-ND2 2.72Å; P702-N704 PolarHBondContact O-N 3.25Å; N704-K706 PolarHBondContact O-N 3.37Å; N704-K706 WeakPolarHBondContact OD1-CA 3.5Å; N704-K706 WeakPolarHBondContact OD1-CB 3.38Å; N704-K706 PolarHBondContact OD1-N 2.61Å; N704-A707 HydrophobicContact CB-CB 4.1Å; N704-A707 WeakPolarHBondContact O-CA 3.29Å; N704-A707 WeakPolarHBondContact O-CB 3.43Å; N704-A707 PolarHBondContact O-N 2.62Å; N704-A707 PolarHBondContact OD1-N 2.97Å; N704-A707 VanDerWaalsContact OD1-N 3.15Å; N704-F708 PolarHBondContact O-N 3.08Å
705	K	92.4	Very high	94.1	Very high	87 Å²	87	51.2 Å²	51.2	38%	0.378	25%	0.253	S	S	.	.	H	α-helix	trans	-51.9	-24.4	175.7	68.2	-177.8	176.3	-172.4	0	115.5	D703 F709 L734 D735	D703-K705 PolarHBondContact O-N 2.92Å; K705-F709 VanDerWaalsContact O-CB 3.31Å; K705-F709 WeakPolarHBondContact O-CB 3.48Å; K705-F709 PolarHBondContact O-N 2.9Å; K705-F709 VanDerWaalsContact O-N 3.09Å; K705-L734 HydrophobicContact CB-CB 4.39Å; K705-L734 HydrophobicContact CB-CD1 4.26Å; K705-D735 HydrophobicContact CD-CB 3.9Å; K705-D735 IonicContact NZ-OD2 3.58Å; K705-D735 PolarHBondContact NZ-OD2 3.43Å
706	K	91.9	Very high	94	Very high	129 Å²	129	50.7 Å²	50.7	56%	0.561	25%	0.248	S	C	*	.	H	α-helix	trans	-78.3	-27.8	174.7	-65	176.3	-179.2	169	0	112.4	N704 R710	N704-K706 PolarHBondContact O-N 3.37Å; N704-K706 WeakPolarHBondContact OD1-CA 3.5Å; N704-K706 WeakPolarHBondContact OD1-CB 3.38Å; N704-K706 PolarHBondContact OD1-N 2.61Å; K706-R710 VanDerWaalsContact O-CB 3.31Å; K706-R710 WeakPolarHBondContact O-CB 3.48Å; K706-R710 VanDerWaalsContact O-CD 3.27Å; K706-R710 WeakPolarHBondContact O-CD 3.22Å; K706-R710 WeakPolarHBondContact O-CG 3.45Å; K706-R710 PolarHBondContact O-N 2.92Å
707	A	94.6	Very high	93.8	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-72.7	-51	172.1	0	0	0	0	0	110.3	T675 A697 L698 N704 F709 R710 R711	T675-A707 HydrophobicContact CG2-CB 3.85Å; A697-A707 HydrophobicContact CB-CB 3.82Å; L698-A707 HydrophobicContact CD1-CB 4.39Å; L698-A707 HydrophobicContact CD2-CB 3.79Å; L698-A707 HydrophobicContact CG-CB 3.73Å; N704-A707 HydrophobicContact CB-CB 4.1Å; N704-A707 WeakPolarHBondContact O-CA 3.29Å; N704-A707 WeakPolarHBondContact O-CB 3.43Å; N704-A707 PolarHBondContact O-N 2.62Å; N704-A707 PolarHBondContact OD1-N 2.97Å; N704-A707 VanDerWaalsContact OD1-N 3.15Å; A707-F709 PolarHBondContact O-N 3.41Å; A707-R710 CarbonylContact O-C 3.56Å; A707-R710 PolarHBondContact O-N 3.17Å; A707-R710 VanDerWaalsContact O-N 3.15Å; A707-R711 PolarHBondContact O-N 3.09Å
708	F	94.8	Very high	93.7	Very high	27 Å²	27	55 Å²	55	12%	0.118	28%	0.275	C	S	.	.	H	α-helix	trans	-54.1	-51.2	174.3	-74.9	-68.4	0	0	0	112.6	L698 P702 N704 R710 R711 A712 E730 V731 L734	L698-F708 HydrophobicContact CD1-CD1 3.81Å; L698-F708 HydrophobicContact CD1-CE1 3.87Å; L698-F708 HydrophobicContact CD1-CG 4.24Å; L698-F708 HydrophobicContact CD1-CZ 4.36Å; L698-F708 HydrophobicContact CD2-CD1 4.22Å; L698-F708 HydrophobicContact CD2-CD2 3.68Å; L698-F708 HydrophobicContact CD2-CE1 4.12Å; L698-F708 HydrophobicContact CD2-CE2 3.57Å; L698-F708 HydrophobicContact CD2-CG 4.01Å; L698-F708 HydrophobicContact CD2-CZ 3.8Å; P702-F708 WeakPolarHBondContact O-CE2 3.38Å; N704-F708 PolarHBondContact O-N 3.08Å; F708-R710 VanDerWaalsContact C-N 3.28Å; F708-R710 PolarHBondContact O-N 3.18Å; F708-R711 CarbonylContact O-C 3.58Å; F708-R711 WeakPolarHBondContact O-CA 3.44Å; F708-R711 WeakPolarHBondContact O-CB 3.24Å; F708-R711 PolarHBondContact O-N 3.08Å; F708-A712 PolarHBondContact O-N 3.32Å; F708-E730 HydrophobicContact CD1-CB 4.23Å; F708-E730 HydrophobicContact CE1-CB 4.23Å; F708-E730 HydrophobicContact CE1-CG 4.4Å; F708-E730 HydrophobicContact CG-CB 4.45Å; F708-E730 HydrophobicContact CZ-CB 4.44Å; F708-V731 HydrophobicContact CB-CG2 3.57Å; F708-L734 HydrophobicContact CD2-CD1 3.77Å; F708-L734 HydrophobicContact CE2-CD1 3.79Å
709	F	94.4	Very high	93.6	Very high	43 Å²	43	60.9 Å²	60.9	19%	0.189	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-34.3	179.7	-173.5	-107.6	0	0	0	113	K705 A707 L713 L728 V731 E740 A741 E744	K705-F709 VanDerWaalsContact O-CB 3.31Å; K705-F709 WeakPolarHBondContact O-CB 3.48Å; K705-F709 PolarHBondContact O-N 2.9Å; K705-F709 VanDerWaalsContact O-N 3.09Å; A707-F709 PolarHBondContact O-N 3.41Å; F709-L713 HydrophobicContact CD1-CD1 4.1Å; F709-L713 HydrophobicContact CE1-CD1 3.7Å; F709-L713 HydrophobicContact CE1-CG 4.49Å; F709-L713 HydrophobicContact CZ-CD1 4.13Å; F709-L713 WeakPolarHBondContact O-CG 3.2Å; F709-L713 PolarHBondContact O-N 3.07Å; F709-L728 HydrophobicContact CD2-CD2 3.95Å; F709-L728 HydrophobicContact CE2-CD2 4.12Å; F709-V731 HydrophobicContact CB-CG2 3.87Å; F709-V731 HydrophobicContact CD2-CG1 4.48Å; F709-E740 HydrophobicContact CZ-CB 4.23Å; F709-A741 HydrophobicContact CD2-CB 4.08Å; F709-A741 HydrophobicContact CE2-CB 4.02Å; F709-E744 HydrophobicContact CE2-CG 4.47Å
710	R	95.1	Very high	93.4	Very high	39 Å²	39	55.7 Å²	55.7	15%	0.147	28%	0.279	C	S	.	.	H	α-helix	trans	-74.8	-29.9	174.8	-71	171.1	-169.5	-178.1	4.5	111.9	T675 N676 L682 C694 K706 A707 F708 A714	T675-R710 WeakPolarHBondContact O-CD 3.45Å; T675-R710 PolarHBondContact O-NH1 2.73Å; N676-R710 PolarHBondContact OD1-NH1 2.88Å; L682-R710 HydrophobicContact CD1-CB 3.95Å; L682-R710 HydrophobicContact CD1-CG 4.03Å; C694-R710 WeakPolarHBondContact SG-CB 3.46Å; K706-R710 VanDerWaalsContact O-CB 3.31Å; K706-R710 WeakPolarHBondContact O-CB 3.48Å; K706-R710 VanDerWaalsContact O-CD 3.27Å; K706-R710 WeakPolarHBondContact O-CD 3.22Å; K706-R710 WeakPolarHBondContact O-CG 3.45Å; K706-R710 PolarHBondContact O-N 2.92Å; A707-R710 CarbonylContact O-C 3.56Å; A707-R710 PolarHBondContact O-N 3.17Å; A707-R710 VanDerWaalsContact O-N 3.15Å; F708-R710 VanDerWaalsContact C-N 3.28Å; F708-R710 PolarHBondContact O-N 3.18Å; R710-A714 PolarHBondContact O-N 3.37Å; R710-A714 VanDerWaalsContact O-N 3.11Å
711	R	96.3	Very high	93.4	Very high	50 Å²	50	54.3 Å²	54.3	19%	0.189	27%	0.27	C	S	.	.	H	α-helix	trans	-71.2	-41.7	172.1	-161.3	171.5	66	-172.5	-3.9	112.1	K691 C694 D695 A707 F708 L713 A714 N715 D727	K691-R711 HydrophobicContact CG-CG 4.19Å; C694-R711 HydrophobicContact CB-CB 3.72Å; C694-R711 HydrophobicContact CB-CG 4.17Å; D695-R711 WeakPolarHBondContact OD1-CD 3.03Å; D695-R711 IonicContact OD1-CZ 2.69Å; D695-R711 IonicContact OD1-NE 2.77Å; D695-R711 IonicContact OD1-NH1 3.82Å; D695-R711 PolarHBondContact OD1-NH1 3.43Å; A707-R711 PolarHBondContact O-N 3.09Å; F708-R711 CarbonylContact O-C 3.58Å; F708-R711 WeakPolarHBondContact O-CA 3.44Å; F708-R711 WeakPolarHBondContact O-CB 3.24Å; F708-R711 PolarHBondContact O-N 3.08Å; R711-L713 PolarHBondContact O-N 3.06Å; R711-A714 CarbonylContact O-C 3.54Å; R711-A714 WeakPolarHBondContact O-CA 3.34Å; R711-A714 WeakPolarHBondContact O-CB 3.35Å; R711-A714 PolarHBondContact O-N 3.38Å; R711-A714 VanDerWaalsContact O-N 3.09Å; R711-N715 WeakPolarHBondContact O-CB 3.38Å; R711-N715 PolarHBondContact O-N 2.93Å; R711-N715 PolarHBondContact O-ND2 3.02Å; R711-D727 WeakPolarHBondContact CB-OD2 3.42Å; R711-D727 WeakPolarHBondContact CG-OD2 3.46Å; R711-D727 IonicContact CZ-OD1 3.18Å; R711-D727 IonicContact NE-OD1 2.71Å; R711-D727 PolarHBondContact NE-OD1 2.91Å; R711-D727 IonicContact NE-OD2 3.47Å; R711-D727 PolarHBondContact NE-OD2 3.12Å; R711-D727 VanDerWaalsContact NE-OD2 3.15Å; R711-D727 IonicContact NH2-OD1 3.15Å; R711-D727 PolarHBondContact NH2-OD1 2.97Å
712	A	94.6	Very high	93.3	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-53.5	-51.7	171	0	0	0	0	0	111.7	F708 A714 N715 K716 C724 D727 L728	F708-A712 PolarHBondContact O-N 3.32Å; A712-A714 VanDerWaalsContact C-N 3.28Å; A712-A714 PolarHBondContact O-N 3.13Å; A712-N715 PolarHBondContact O-N 3.35Å; A712-N715 VanDerWaalsContact O-N 3.16Å; A712-K716 PolarHBondContact O-N 3.19Å; A712-C724 PolarHBondContact O-SG 2.91Å; A712-D727 HydrophobicContact CB-CB 3.71Å; A712-D727 PolarHBondContact N-OD2 2.76Å; A712-L728 HydrophobicContact CB-CD1 4.4Å; A712-L728 HydrophobicContact CB-CD2 3.59Å; A712-L728 HydrophobicContact CB-CG 3.62Å
713	L	95	Very high	93.3	Very high	46 Å²	46	52.9 Å²	52.9	24%	0.241	26%	0.264	C	S	.	.	H	α-helix	trans	-63.5	-31.7	177.6	-69	173.5	0	0	0	112.9	L682 F709 R711 G717 E744	L682-L713 HydrophobicContact CD1-CB 4.07Å; L682-L713 HydrophobicContact CD1-CD1 4.37Å; L682-L713 HydrophobicContact CD2-CB 4.19Å; F709-L713 HydrophobicContact CD1-CD1 4.1Å; F709-L713 HydrophobicContact CE1-CD1 3.7Å; F709-L713 HydrophobicContact CE1-CG 4.49Å; F709-L713 HydrophobicContact CZ-CD1 4.13Å; F709-L713 WeakPolarHBondContact O-CG 3.2Å; F709-L713 PolarHBondContact O-N 3.07Å; R711-L713 PolarHBondContact O-N 3.06Å; L713-G717 PolarHBondContact O-N 3.24Å; L713-G717 VanDerWaalsContact O-N 3.15Å; L713-E744 HydrophobicContact CD2-CG 4.41Å
714	A	96.3	Very high	93.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-67.8	-46.3	171.5	0	0	0	0	0	111.6	L682 A690 K691 R710 R711 A712 K716 G717 L718	L682-A714 HydrophobicContact CD2-CB 3.92Å; A690-A714 HydrophobicContact CB-CB 4.07Å; K691-A714 HydrophobicContact CB-CB 4.16Å; R710-A714 PolarHBondContact O-N 3.37Å; R710-A714 VanDerWaalsContact O-N 3.11Å; R711-A714 CarbonylContact O-C 3.54Å; R711-A714 WeakPolarHBondContact O-CA 3.34Å; R711-A714 WeakPolarHBondContact O-CB 3.35Å; R711-A714 PolarHBondContact O-N 3.38Å; R711-A714 VanDerWaalsContact O-N 3.09Å; A712-A714 VanDerWaalsContact C-N 3.28Å; A712-A714 PolarHBondContact O-N 3.13Å; A714-K716 PolarHBondContact O-N 3.21Å; A714-G717 CarbonylContact O-C 3.55Å; A714-G717 PolarHBondContact O-N 3.08Å; A714-G717 VanDerWaalsContact O-N 3.16Å; A714-L718 WeakPolarHBondContact O-CG 3.49Å; A714-L718 PolarHBondContact O-N 2.84Å
715	N	95.1	Very high	93.5	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-41.8	177.2	-73.8	-30.2	0	0	0	111.8	K691 R711 A712 G717 L718 Q719 D720 A723 C724 D727	K691-N715 VanDerWaalsContact CD-OD1 3.31Å; K691-N715 WeakPolarHBondContact CD-OD1 3.24Å; K691-N715 VanDerWaalsContact CE-OD1 3.23Å; K691-N715 WeakPolarHBondContact CE-OD1 3.49Å; K691-N715 PolarHBondContact NZ-OD1 3.15Å; R711-N715 WeakPolarHBondContact O-CB 3.38Å; R711-N715 PolarHBondContact O-N 2.93Å; R711-N715 PolarHBondContact O-ND2 3.02Å; A712-N715 PolarHBondContact O-N 3.35Å; A712-N715 VanDerWaalsContact O-N 3.16Å; N715-G717 VanDerWaalsContact C-N 3.34Å; N715-G717 PolarHBondContact O-N 3.24Å; N715-L718 CarbonylContact O-C 3.57Å; N715-L718 PolarHBondContact O-N 2.94Å; N715-L718 VanDerWaalsContact O-N 3.1Å; N715-Q719 PolarHBondContact O-N 3.42Å; N715-Q719 VanDerWaalsContact O-N 3.07Å; N715-D720 HydrophobicContact CB-CB 4.25Å; N715-D720 PolarHBondContact O-N 2.73Å; N715-A723 HydrophobicContact CB-CB 4.47Å; N715-C724 HydrophobicContact CB-CB 3.75Å; N715-D727 PolarHBondContact ND2-OD2 2.82Å
716	K	93.9	Very high	93.5	Very high	36 Å²	36	44.9 Å²	44.9	16%	0.157	23%	0.232	C	C	.	.	H	α-helix	trans	-56.9	-45.1	171.2	-168.7	179.6	-178.9	-173.7	0	111.7	A712 A714 L718 Q719 E744 E747 V748	A712-K716 PolarHBondContact O-N 3.19Å; A714-K716 PolarHBondContact O-N 3.21Å; K716-L718 VanDerWaalsContact C-N 3.3Å; K716-L718 PolarHBondContact O-N 2.86Å; K716-Q719 PolarHBondContact O-N 3Å; K716-Q719 VanDerWaalsContact O-N 3.17Å; K716-E744 VanDerWaalsContact CD-OE2 3.23Å; K716-E744 WeakPolarHBondContact CD-OE2 3.46Å; K716-E744 WeakPolarHBondContact CE-OE2 3.42Å; K716-E744 IonicContact NZ-OE1 3.31Å; K716-E744 IonicContact NZ-OE2 3Å; K716-E744 PolarHBondContact NZ-OE2 3.15Å; K716-E747 WeakPolarHBondContact CE-OE1 3.41Å; K716-E747 IonicContact NZ-OE1 2.65Å; K716-E747 PolarHBondContact NZ-OE1 2.88Å; K716-E747 IonicContact NZ-OE2 3.75Å; K716-E747 PolarHBondContact NZ-OE2 3.02Å; K716-V748 HydrophobicContact CD-CG2 3.98Å; K716-V748 HydrophobicContact CG-CG2 4.08Å
717	G	91.1	Very high	93.6	Very high	31 Å²	31	39 Å²	39	32%	0.32	21%	0.206	S	C	.	.	H	α-helix	trans	-68.3	-23.9	176.1	0	0	0	0	0	114.7	F687 L713 A714 N715	F687-G717 WeakPolarHBondContact CD2-O 3.46Å; L713-G717 PolarHBondContact O-N 3.24Å; L713-G717 VanDerWaalsContact O-N 3.15Å; A714-G717 CarbonylContact O-C 3.55Å; A714-G717 PolarHBondContact O-N 3.08Å; A714-G717 VanDerWaalsContact O-N 3.16Å; N715-G717 VanDerWaalsContact C-N 3.34Å; N715-G717 PolarHBondContact O-N 3.24Å
718	L	92.5	Very high	93.5	Very high	82 Å²	82	39 Å²	39	43%	0.429	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.8	172.4	-67.6	170.2	0	0	0	113.5	F687 K691 A714 N715 K716 D720	F687-L718 HydrophobicContact CB-CD1 4.45Å; F687-L718 HydrophobicContact CB-CD2 3.92Å; F687-L718 HydrophobicContact CB-CG 3.76Å; K691-L718 HydrophobicContact CD-CD1 4.08Å; A714-L718 WeakPolarHBondContact O-CG 3.49Å; A714-L718 PolarHBondContact O-N 2.84Å; N715-L718 CarbonylContact O-C 3.57Å; N715-L718 PolarHBondContact O-N 2.94Å; N715-L718 VanDerWaalsContact O-N 3.1Å; K716-L718 VanDerWaalsContact C-N 3.3Å; K716-L718 PolarHBondContact O-N 2.86Å; L718-D720 PolarHBondContact O-N 3.16Å
719	Q	91.4	Very high	93.4	Very high	143 Å²	143	42.7 Å²	42.7	67%	0.668	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	16	-172.6	-52.1	-179.4	-11.9	0	0	114.5	N715 K716 Y721	N715-Q719 PolarHBondContact O-N 3.42Å; N715-Q719 VanDerWaalsContact O-N 3.07Å; K716-Q719 PolarHBondContact O-N 3Å; K716-Q719 VanDerWaalsContact O-N 3.17Å; Q719-Y721 HydrophobicContact CB-CE2 3.99Å; Q719-Y721 VanDerWaalsContact O-CD2 3.29Å; Q719-Y721 WeakPolarHBondContact O-CD2 3.16Å; Q719-Y721 PolarHBondContact O-N 3.1Å
720	D	92.2	Very high	93.3	Very high	56 Å²	56	44 Å²	44	30%	0.299	23%	0.23	S	C	.	.			trans	-81.5	69.9	171	-173.8	-5.5	0	0	0	109.4	K691 N715 L718 L722 A723 C724	K691-D720 IonicContact NZ-OD2 2.72Å; K691-D720 PolarHBondContact NZ-OD2 3Å; N715-D720 HydrophobicContact CB-CB 4.25Å; N715-D720 PolarHBondContact O-N 2.73Å; L718-D720 PolarHBondContact O-N 3.16Å; D720-L722 PolarHBondContact O-N 3.28Å; D720-A723 VanDerWaalsContact CG-CB 3.43Å; D720-A723 VanDerWaalsContact OD1-CB 3.31Å; D720-A723 WeakPolarHBondContact OD1-CB 3.44Å; D720-A723 PolarHBondContact OD1-N 2.79Å; D720-A723 VanDerWaalsContact OD2-CB 3.24Å; D720-A723 WeakPolarHBondContact OD2-CB 3.38Å; D720-C724 WeakPolarHBondContact O-CB 3.36Å; D720-C724 PolarHBondContact O-N 2.94Å
721	Y	91.8	Very high	93.2	Very high	37 Å²	37	42.2 Å²	42.2	15%	0.145	22%	0.224	C	C	.	.	H	α-helix	trans	-64.7	-25.2	-176.5	-57.7	-60	0	0	0	112.8	Q719 S725 V748 L751	Q719-Y721 HydrophobicContact CB-CE2 3.99Å; Q719-Y721 VanDerWaalsContact O-CD2 3.29Å; Q719-Y721 WeakPolarHBondContact O-CD2 3.16Å; Q719-Y721 PolarHBondContact O-N 3.1Å; Y721-S725 WeakPolarHBondContact O-CB 3.35Å; Y721-S725 PolarHBondContact O-N 2.89Å; Y721-S725 PolarHBondContact O-OG 3.4Å; Y721-V748 HydrophobicContact CD1-CG1 4.32Å; Y721-V748 WeakPolarHBondContact O-CG1 3.44Å; Y721-L751 HydrophobicContact CD1-CB 4.08Å; Y721-L751 HydrophobicContact CD1-CD1 4.42Å; Y721-L751 HydrophobicContact CE1-CB 3.86Å; Y721-L751 HydrophobicContact CE1-CD1 3.75Å; Y721-L751 HydrophobicContact CE1-CG 4.41Å; Y721-L751 HydrophobicContact CE2-CB 4.4Å; Y721-L751 HydrophobicContact CG-CB 4.46Å
722	L	90.8	Very high	92.9	Very high	114 Å²	114	41.7 Å²	41.7	60%	0.597	23%	0.225	S	C	*	.	H	α-helix	trans	-69.9	-57.2	176.4	-69.8	174.5	0	0	0	110.8	D720 C724 S725 S726 L752	D720-L722 PolarHBondContact O-N 3.28Å; L722-C724 PolarHBondContact O-N 3.4Å; L722-S725 PolarHBondContact O-N 3.06Å; L722-S725 VanDerWaalsContact O-N 3.16Å; L722-S725 PolarHBondContact O-OG 3.29Å; L722-S726 PolarHBondContact O-N 3.06Å; L722-S726 VanDerWaalsContact O-N 3.17Å; L722-L752 HydrophobicContact CD2-CD1 3.8Å; L722-L752 HydrophobicContact CD2-CD2 3.86Å; L722-L752 HydrophobicContact CG-CD1 4.06Å
723	A	91.7	Very high	92.8	Very high	30 Å²	30	48 Å²	48	25%	0.248	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-34.3	177.6	0	0	0	0	0	111.9	N715 D720 S726 D727	N715-A723 HydrophobicContact CB-CB 4.47Å; D720-A723 VanDerWaalsContact CG-CB 3.43Å; D720-A723 VanDerWaalsContact OD1-CB 3.31Å; D720-A723 WeakPolarHBondContact OD1-CB 3.44Å; D720-A723 PolarHBondContact OD1-N 2.79Å; D720-A723 VanDerWaalsContact OD2-CB 3.24Å; D720-A723 WeakPolarHBondContact OD2-CB 3.38Å; A723-S726 PolarHBondContact O-N 2.91Å; A723-D727 PolarHBondContact O-N 3.01Å
724	C	93.9	Very high	92.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.7	-47.8	172.6	-174.4	0	0	0	0	112.5	A712 N715 D720 L722 S726 D727 L728 V748	A712-C724 PolarHBondContact O-SG 2.91Å; N715-C724 HydrophobicContact CB-CB 3.75Å; D720-C724 WeakPolarHBondContact O-CB 3.36Å; D720-C724 PolarHBondContact O-N 2.94Å; L722-C724 PolarHBondContact O-N 3.4Å; C724-S726 VanDerWaalsContact C-N 3.32Å; C724-S726 PolarHBondContact O-N 3.07Å; C724-D727 PolarHBondContact O-N 2.83Å; C724-L728 WeakPolarHBondContact O-CG 3.4Å; C724-L728 PolarHBondContact O-N 2.7Å; C724-V748 HydrophobicContact CB-CG1 4.14Å; C724-V748 VanDerWaalsContact SG-CG2 3.59Å
725	S	92.8	Very high	92	Very high	19 Å²	19	51.3 Å²	51.3	13%	0.133	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-36.8	179.4	69.5	0	0	0	0	112.8	Y721 L722 Q729	Y721-S725 WeakPolarHBondContact O-CB 3.35Å; Y721-S725 PolarHBondContact O-N 2.89Å; Y721-S725 PolarHBondContact O-OG 3.4Å; L722-S725 PolarHBondContact O-N 3.06Å; L722-S725 VanDerWaalsContact O-N 3.16Å; L722-S725 PolarHBondContact O-OG 3.29Å; S725-Q729 VanDerWaalsContact O-CG 3.32Å; S725-Q729 WeakPolarHBondContact O-CG 3.41Å; S725-Q729 PolarHBondContact O-N 2.87Å
726	S	93.4	Very high	91.6	Very high	59 Å²	59	56.5 Å²	56.5	41%	0.413	31%	0.306	S	S	.	.	H	α-helix	trans	-66.1	-49.8	175	-169.2	0	0	0	0	111.7	L722 A723 C724 L728 Q729 E730	L722-S726 PolarHBondContact O-N 3.06Å; L722-S726 VanDerWaalsContact O-N 3.17Å; A723-S726 PolarHBondContact O-N 2.91Å; C724-S726 VanDerWaalsContact C-N 3.32Å; C724-S726 PolarHBondContact O-N 3.07Å; S726-L728 PolarHBondContact O-N 3.36Å; S726-Q729 PolarHBondContact O-N 3.46Å; S726-Q729 VanDerWaalsContact O-N 3.08Å; S726-E730 PolarHBondContact O-N 3.45Å
727	D	93.1	Very high	91.3	Very high	5 Å²	5	61.1 Å²	61.1	3%	0.027	33%	0.332	C	S	.	.	H	α-helix	trans	-58.1	-35.6	177.4	-78.8	-30.6	0	0	0	112.6	R711 A712 N715 A723 C724 V731	R711-D727 WeakPolarHBondContact CB-OD2 3.42Å; R711-D727 WeakPolarHBondContact CG-OD2 3.46Å; R711-D727 IonicContact CZ-OD1 3.18Å; R711-D727 IonicContact NE-OD1 2.71Å; R711-D727 PolarHBondContact NE-OD1 2.91Å; R711-D727 IonicContact NE-OD2 3.47Å; R711-D727 PolarHBondContact NE-OD2 3.12Å; R711-D727 VanDerWaalsContact NE-OD2 3.15Å; R711-D727 IonicContact NH2-OD1 3.15Å; R711-D727 PolarHBondContact NH2-OD1 2.97Å; A712-D727 HydrophobicContact CB-CB 3.71Å; A712-D727 PolarHBondContact N-OD2 2.76Å; N715-D727 PolarHBondContact ND2-OD2 2.82Å; A723-D727 PolarHBondContact O-N 3.01Å; C724-D727 PolarHBondContact O-N 2.83Å; D727-V731 WeakPolarHBondContact O-CG2 3.47Å; D727-V731 PolarHBondContact O-N 3.5Å; D727-V731 VanDerWaalsContact O-N 3.11Å
728	L	93.1	Very high	91.1	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-74.5	-34	177.2	-68.2	169.2	0	0	0	112.6	F709 A712 C724 S726 V731 L732 A741 E744 L745 V748	F709-L728 HydrophobicContact CD2-CD2 3.95Å; F709-L728 HydrophobicContact CE2-CD2 4.12Å; A712-L728 HydrophobicContact CB-CD1 4.4Å; A712-L728 HydrophobicContact CB-CD2 3.59Å; A712-L728 HydrophobicContact CB-CG 3.62Å; C724-L728 WeakPolarHBondContact O-CG 3.4Å; C724-L728 PolarHBondContact O-N 2.7Å; S726-L728 PolarHBondContact O-N 3.36Å; L728-V731 PolarHBondContact O-N 3.07Å; L728-L732 WeakPolarHBondContact O-CG 3.34Å; L728-L732 PolarHBondContact O-N 3.46Å; L728-A741 HydrophobicContact CD2-CB 4.01Å; L728-E744 HydrophobicContact CD1-CB 3.94Å; L728-E744 HydrophobicContact CD2-CB 4.18Å; L728-L745 HydrophobicContact CB-CB 4.16Å; L728-L745 HydrophobicContact CB-CD1 4.21Å; L728-L745 HydrophobicContact CD1-CB 4.07Å; L728-L745 HydrophobicContact CD1-CD1 4.5Å; L728-V748 HydrophobicContact CD1-CG2 4.42Å
729	Q	92.8	Very high	90.8	Very high	103 Å²	103	62.3 Å²	62.3	48%	0.481	33%	0.329	S	S	.	.	H	α-helix	trans	-65.9	-39.3	172.4	-74.7	173.3	-2.5	0	0	111.4	S725 S726 L732 Q733 L745	S725-Q729 VanDerWaalsContact O-CG 3.32Å; S725-Q729 WeakPolarHBondContact O-CG 3.41Å; S725-Q729 PolarHBondContact O-N 2.87Å; S726-Q729 PolarHBondContact O-N 3.46Å; S726-Q729 VanDerWaalsContact O-N 3.08Å; Q729-L732 PolarHBondContact O-N 3.43Å; Q729-Q733 WeakPolarHBondContact O-CG 3.19Å; Q729-Q733 PolarHBondContact O-N 2.58Å; Q729-L745 HydrophobicContact CG-CD2 4.04Å
730	E	92.4	Very high	90.7	Very high	70 Å²	70	61.8 Å²	61.8	33%	0.327	33%	0.326	S	S	.	.	H	α-helix	trans	-63.4	-40.8	171.8	-67	-54.4	137.5	0	0	112.3	F708 S726 L732 Q733 L734	F708-E730 HydrophobicContact CD1-CB 4.23Å; F708-E730 HydrophobicContact CE1-CB 4.23Å; F708-E730 HydrophobicContact CE1-CG 4.4Å; F708-E730 HydrophobicContact CG-CB 4.45Å; F708-E730 HydrophobicContact CZ-CB 4.44Å; S726-E730 PolarHBondContact O-N 3.45Å; E730-L732 VanDerWaalsContact C-N 3.31Å; E730-L732 PolarHBondContact O-N 3.18Å; E730-Q733 PolarHBondContact O-N 2.83Å; E730-Q733 PolarHBondContact OE1-NE2 3.04Å; E730-Q733 PolarHBondContact OE2-NE2 3.49Å; E730-L734 WeakPolarHBondContact O-CB 3.18Å; E730-L734 WeakPolarHBondContact O-CG 3.44Å; E730-L734 PolarHBondContact O-N 3.17Å
731	V	92.4	Very high	90.5	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.012	31%	0.312	C	S	.	.	H	α-helix	trans	-59.6	-41.1	173.5	171.8	0	0	0	0	111.9	F708 F709 D727 L728 L734 D735 V738 A741	F708-V731 HydrophobicContact CB-CG2 3.57Å; F709-V731 HydrophobicContact CB-CG2 3.87Å; F709-V731 HydrophobicContact CD2-CG1 4.48Å; D727-V731 WeakPolarHBondContact O-CG2 3.47Å; D727-V731 PolarHBondContact O-N 3.5Å; D727-V731 VanDerWaalsContact O-N 3.11Å; L728-V731 PolarHBondContact O-N 3.07Å; V731-L734 PolarHBondContact O-N 2.94Å; V731-D735 PolarHBondContact O-N 3.04Å; V731-V738 HydrophobicContact CG1-CB 4.38Å; V731-V738 HydrophobicContact CG1-CG1 4.35Å; V731-V738 HydrophobicContact CG1-CG2 4.49Å; V731-A741 HydrophobicContact CB-CB 4.32Å; V731-A741 HydrophobicContact CG1-CB 3.7Å
732	L	91.1	Very high	90.4	Very high	40 Å²	40	63 Å²	63	21%	0.209	33%	0.332	C	S	.	.	H	α-helix	trans	-76	-26.9	179.8	-68.7	169.6	0	0	0	113.2	L728 Q729 E730 D735 P736 A741 E742 L745	L728-L732 WeakPolarHBondContact O-CG 3.34Å; L728-L732 PolarHBondContact O-N 3.46Å; Q729-L732 PolarHBondContact O-N 3.43Å; E730-L732 VanDerWaalsContact C-N 3.31Å; E730-L732 PolarHBondContact O-N 3.18Å; L732-D735 CarbonylContact O-C 3.57Å; L732-P736 WeakPolarHBondContact O-CA 3.35Å; L732-P736 WeakPolarHBondContact O-CD 3.39Å; L732-P736 WeakPolarHBondContact O-CG 3.44Å; L732-A741 HydrophobicContact CD2-CB 4.08Å; L732-A741 HydrophobicContact CG-CB 4.18Å; L732-E742 HydrophobicContact CD2-CB 4.38Å; L732-L745 HydrophobicContact CD1-CD2 3.84Å
733	Q	91.1	Very high	90.4	Very high	132 Å²	132	63.2 Å²	63.2	62%	0.617	33%	0.328	S	S	*	.	H	α-helix	trans	-67.5	-42	168.1	-75.8	177.4	89	0	0	111.4	Q729 E730	Q729-Q733 WeakPolarHBondContact O-CG 3.19Å; Q729-Q733 PolarHBondContact O-N 2.58Å; E730-Q733 PolarHBondContact O-N 2.83Å; E730-Q733 PolarHBondContact OE1-NE2 3.04Å; E730-Q733 PolarHBondContact OE2-NE2 3.49Å
734	L	88.9	Confident	90.4	Very high	73 Å²	73	64 Å²	64	38%	0.382	33%	0.326	S	S	.	.	H	α-helix	trans	-75.7	-30.4	179.5	-69.1	171.2	0	0	0	113.8	K705 F708 E730 V731	K705-L734 HydrophobicContact CB-CB 4.39Å; K705-L734 HydrophobicContact CB-CD1 4.26Å; F708-L734 HydrophobicContact CD2-CD1 3.77Å; F708-L734 HydrophobicContact CE2-CD1 3.79Å; E730-L734 WeakPolarHBondContact O-CB 3.18Å; E730-L734 WeakPolarHBondContact O-CG 3.44Å; E730-L734 PolarHBondContact O-N 3.17Å; V731-L734 PolarHBondContact O-N 2.94Å
735	D	87.1	Confident	90.3	Very high	43 Å²	43	65.3 Å²	65.3	23%	0.23	33%	0.333	C	S	.	.			trans	-152.5	92.1	176.3	-171.3	-10.7	0	0	0	111.6	K705 V731 L732 N737 V738	K705-D735 HydrophobicContact CD-CB 3.9Å; K705-D735 IonicContact NZ-OD2 3.58Å; K705-D735 PolarHBondContact NZ-OD2 3.43Å; V731-D735 PolarHBondContact O-N 3.04Å; L732-D735 CarbonylContact O-C 3.57Å; D735-N737 PolarHBondContact O-N 3.21Å; D735-N737 WeakPolarHBondContact OD1-CB 3.3Å; D735-N737 PolarHBondContact OD1-N 3.12Å; D735-N737 VanDerWaalsContact OD1-N 3.15Å; D735-V738 HydrophobicContact CB-CG2 3.73Å; D735-V738 WeakPolarHBondContact O-CG2 3.36Å; D735-V738 PolarHBondContact O-N 2.92Å
736	P	86	Confident	90.2	Very high	111 Å²	111	71 Å²	71	72%	0.721	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-7.4	179.8	-24.6	33.3	0	0	0	115.6	L732	L732-P736 WeakPolarHBondContact O-CA 3.35Å; L732-P736 WeakPolarHBondContact O-CD 3.39Å; L732-P736 WeakPolarHBondContact O-CG 3.44Å
737	N	87	Confident	90.1	Very high	132 Å²	132	72.6 Å²	72.6	71%	0.706	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	0.9	-177.8	-163.2	29.5	0	0	0	113.1	D735 Q739	D735-N737 PolarHBondContact O-N 3.21Å; D735-N737 WeakPolarHBondContact OD1-CB 3.3Å; D735-N737 PolarHBondContact OD1-N 3.12Å; D735-N737 VanDerWaalsContact OD1-N 3.15Å; N737-Q739 VanDerWaalsContact C-N 3.32Å; N737-Q739 PolarHBondContact O-N 3.19Å
738	V	88.2	Confident	90.1	Very high	27 Å²	27	72.4 Å²	72.4	16%	0.164	36%	0.357	C	S	.	.			trans	-81.3	76.6	-179.2	-171.1	0	0	0	0	110.6	V731 D735 E740 A741 E742	V731-V738 HydrophobicContact CG1-CB 4.38Å; V731-V738 HydrophobicContact CG1-CG1 4.35Å; V731-V738 HydrophobicContact CG1-CG2 4.49Å; D735-V738 HydrophobicContact CB-CG2 3.73Å; D735-V738 WeakPolarHBondContact O-CG2 3.36Å; D735-V738 PolarHBondContact O-N 2.92Å; V738-E740 HydrophobicContact CG1-CB 4.2Å; V738-E740 PolarHBondContact O-N 3.35Å; V738-A741 HydrophobicContact CB-CB 4.22Å; V738-A741 HydrophobicContact CG1-CB 3.84Å; V738-A741 WeakPolarHBondContact O-CB 3.17Å; V738-A741 PolarHBondContact O-N 2.81Å; V738-E742 PolarHBondContact O-N 3.36Å
739	Q	86.7	Confident	89.9	Confident	111 Å²	111	75 Å²	75	52%	0.519	37%	0.374	S	S	.	.	H	α-helix	trans	-54	-20.1	174.9	-65	-171.3	1.6	0	0	114.2	N737 K743	N737-Q739 VanDerWaalsContact C-N 3.32Å; N737-Q739 PolarHBondContact O-N 3.19Å; Q739-K743 VanDerWaalsContact O-CD 3.27Å; Q739-K743 WeakPolarHBondContact O-CD 3.22Å; Q739-K743 VanDerWaalsContact O-CG 3.27Å; Q739-K743 WeakPolarHBondContact O-CG 3.26Å; Q739-K743 PolarHBondContact O-N 3.06Å
740	E	87.6	Confident	89.8	Confident	133 Å²	133	73.2 Å²	73.2	62%	0.621	37%	0.369	S	S	*	.	H	α-helix	trans	-70.4	-39.5	174.8	-60.5	176.6	146.7	0	0	110.9	F709 V738 E744	F709-E740 HydrophobicContact CZ-CB 4.23Å; V738-E740 HydrophobicContact CG1-CB 4.2Å; V738-E740 PolarHBondContact O-N 3.35Å; E740-E744 WeakPolarHBondContact O-CB 3.49Å; E740-E744 WeakPolarHBondContact O-CG 3.46Å; E740-E744 PolarHBondContact O-N 2.91Å; E740-E744 VanDerWaalsContact O-N 3.14Å
741	A	88.3	Confident	89.7	Confident	0 Å²	0	72 Å²	72	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-74.6	-34.8	177.2	0	0	0	0	0	112.3	F709 L728 V731 L732 V738 L745	F709-A741 HydrophobicContact CD2-CB 4.08Å; F709-A741 HydrophobicContact CE2-CB 4.02Å; L728-A741 HydrophobicContact CD2-CB 4.01Å; V731-A741 HydrophobicContact CB-CB 4.32Å; V731-A741 HydrophobicContact CG1-CB 3.7Å; L732-A741 HydrophobicContact CD2-CB 4.08Å; L732-A741 HydrophobicContact CG-CB 4.18Å; V738-A741 HydrophobicContact CB-CB 4.22Å; V738-A741 HydrophobicContact CG1-CB 3.84Å; V738-A741 WeakPolarHBondContact O-CB 3.17Å; V738-A741 PolarHBondContact O-N 2.81Å; A741-L745 VanDerWaalsContact O-CB 3.23Å; A741-L745 WeakPolarHBondContact O-CB 3.31Å; A741-L745 PolarHBondContact O-N 3.2Å
742	E	90.1	Very high	89.5	Confident	119 Å²	119	73.6 Å²	73.6	56%	0.556	37%	0.373	S	S	*	.	H	α-helix	trans	-60.7	-47.1	173.7	-174.4	179.9	-148.2	0	0	111.9	L732 V738 L745 E746	L732-E742 HydrophobicContact CD2-CB 4.38Å; V738-E742 PolarHBondContact O-N 3.36Å; E742-L745 PolarHBondContact O-N 2.88Å; E742-E746 PolarHBondContact O-N 2.87Å
743	K	91.3	Very high	89.3	Confident	117 Å²	117	80.4 Å²	80.4	51%	0.509	40%	0.396	S	S	.	.	H	α-helix	trans	-67.5	-42.6	178.2	-69.9	163.1	-167	157	0	112.6	Q739 L745 E746 E747	Q739-K743 VanDerWaalsContact O-CD 3.27Å; Q739-K743 WeakPolarHBondContact O-CD 3.22Å; Q739-K743 VanDerWaalsContact O-CG 3.27Å; Q739-K743 WeakPolarHBondContact O-CG 3.26Å; Q739-K743 PolarHBondContact O-N 3.06Å; K743-L745 VanDerWaalsContact C-N 3.27Å; K743-L745 PolarHBondContact O-N 2.85Å; K743-E746 PolarHBondContact O-N 2.79Å; K743-E747 PolarHBondContact O-N 3.03Å
744	E	91.3	Very high	89	Confident	47 Å²	47	79.4 Å²	79.4	22%	0.22	39%	0.392	C	S	.	.	H	α-helix	trans	-61.3	-37.5	173.8	-73.2	-77.1	166.3	0	0	111.1	F709 L713 K716 L728 E740 V748	F709-E744 HydrophobicContact CE2-CG 4.47Å; L713-E744 HydrophobicContact CD2-CG 4.41Å; K716-E744 VanDerWaalsContact CD-OE2 3.23Å; K716-E744 WeakPolarHBondContact CD-OE2 3.46Å; K716-E744 WeakPolarHBondContact CE-OE2 3.42Å; K716-E744 IonicContact NZ-OE1 3.31Å; K716-E744 IonicContact NZ-OE2 3Å; K716-E744 PolarHBondContact NZ-OE2 3.15Å; L728-E744 HydrophobicContact CD1-CB 3.94Å; L728-E744 HydrophobicContact CD2-CB 4.18Å; E740-E744 WeakPolarHBondContact O-CB 3.49Å; E740-E744 WeakPolarHBondContact O-CG 3.46Å; E740-E744 PolarHBondContact O-N 2.91Å; E740-E744 VanDerWaalsContact O-N 3.14Å; E744-V748 VanDerWaalsContact O-CB 3.3Å; E744-V748 WeakPolarHBondContact O-CB 3.45Å; E744-V748 WeakPolarHBondContact O-CG2 3.32Å; E744-V748 PolarHBondContact O-N 3.4Å
745	L	91.8	Very high	88.7	Confident	27 Å²	27	78.8 Å²	78.8	14%	0.141	39%	0.393	C	S	.	.	H	α-helix	trans	-68.6	-44.4	177.3	179.8	60.6	0	0	0	111.5	L728 Q729 L732 A741 E742 K743 E747 V748 T749	L728-L745 HydrophobicContact CB-CB 4.16Å; L728-L745 HydrophobicContact CB-CD1 4.21Å; L728-L745 HydrophobicContact CD1-CB 4.07Å; L728-L745 HydrophobicContact CD1-CD1 4.5Å; Q729-L745 HydrophobicContact CG-CD2 4.04Å; L732-L745 HydrophobicContact CD1-CD2 3.84Å; A741-L745 VanDerWaalsContact O-CB 3.23Å; A741-L745 WeakPolarHBondContact O-CB 3.31Å; A741-L745 PolarHBondContact O-N 3.2Å; E742-L745 PolarHBondContact O-N 2.88Å; K743-L745 VanDerWaalsContact C-N 3.27Å; K743-L745 PolarHBondContact O-N 2.85Å; L745-E747 PolarHBondContact O-N 3.12Å; L745-V748 PolarHBondContact O-N 3.12Å; L745-T749 HydrophobicContact CD1-CG2 4.29Å; L745-T749 WeakPolarHBondContact O-CG2 3.2Å; L745-T749 PolarHBondContact O-N 3.32Å
746	E	90.9	Very high	88.3	Confident	139 Å²	139	82 Å²	82	65%	0.65	41%	0.41	S	S	*	.	H	α-helix	trans	-57.2	-50.6	174.9	-172.5	176.2	-157.9	0	0	110.9	E742 K743 V748 T749 V750	E742-E746 PolarHBondContact O-N 2.87Å; K743-E746 PolarHBondContact O-N 2.79Å; E746-V748 VanDerWaalsContact C-N 3.35Å; E746-V748 PolarHBondContact O-N 2.71Å; E746-T749 PolarHBondContact O-N 2.76Å; E746-T749 PolarHBondContact O-OG1 2.67Å; E746-V750 PolarHBondContact O-N 3.47Å; E746-V750 VanDerWaalsContact O-N 3.14Å
747	E	91.6	Very high	87.7	Confident	93 Å²	93	79.9 Å²	79.9	44%	0.435	40%	0.398	S	S	.	.	H	α-helix	trans	-58.3	-44.9	177.3	-164.4	-161.1	131.1	0	0	112	K716 K743 L745 T749 V750 L751	K716-E747 WeakPolarHBondContact CE-OE1 3.41Å; K716-E747 IonicContact NZ-OE1 2.65Å; K716-E747 PolarHBondContact NZ-OE1 2.88Å; K716-E747 IonicContact NZ-OE2 3.75Å; K716-E747 PolarHBondContact NZ-OE2 3.02Å; K743-E747 PolarHBondContact O-N 3.03Å; L745-E747 PolarHBondContact O-N 3.12Å; E747-T749 PolarHBondContact O-N 3.48Å; E747-V750 PolarHBondContact O-N 3.3Å; E747-L751 HydrophobicContact CG-CD1 4.35Å; E747-L751 WeakPolarHBondContact O-CG 3.29Å; E747-L751 PolarHBondContact O-N 2.99Å
748	V	92.3	Very high	86.5	Confident	0 Å²	0	77 Å²	77	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-64.7	-37	179.1	167.1	0	0	0	0	112	K716 Y721 C724 L728 E744 L745 E746 V750 L751 L752	K716-V748 HydrophobicContact CD-CG2 3.98Å; K716-V748 HydrophobicContact CG-CG2 4.08Å; Y721-V748 HydrophobicContact CD1-CG1 4.32Å; Y721-V748 WeakPolarHBondContact O-CG1 3.44Å; C724-V748 HydrophobicContact CB-CG1 4.14Å; C724-V748 VanDerWaalsContact SG-CG2 3.59Å; L728-V748 HydrophobicContact CD1-CG2 4.42Å; E744-V748 VanDerWaalsContact O-CB 3.3Å; E744-V748 WeakPolarHBondContact O-CB 3.45Å; E744-V748 WeakPolarHBondContact O-CG2 3.32Å; E744-V748 PolarHBondContact O-N 3.4Å; L745-V748 PolarHBondContact O-N 3.12Å; E746-V748 VanDerWaalsContact C-N 3.35Å; E746-V748 PolarHBondContact O-N 2.71Å; V748-V750 VanDerWaalsContact C-N 3.33Å; V748-V750 PolarHBondContact O-N 3.35Å; V748-L751 PolarHBondContact O-N 3.37Å; V748-L752 VanDerWaalsContact O-CB 3.28Å; V748-L752 WeakPolarHBondContact O-CB 3.49Å; V748-L752 PolarHBondContact O-N 2.92Å
749	T	90	Very high	85.1	Confident	57 Å²	57	79 Å²	79	35%	0.35	41%	0.407	S	S	.	.	H	α-helix	trans	-67.8	-32.3	174.6	64.3	0	0	0	0	112.8	L745 E746 E747 R753	L745-T749 HydrophobicContact CD1-CG2 4.29Å; L745-T749 WeakPolarHBondContact O-CG2 3.2Å; L745-T749 PolarHBondContact O-N 3.32Å; E746-T749 PolarHBondContact O-N 2.76Å; E746-T749 PolarHBondContact O-OG1 2.67Å; E747-T749 PolarHBondContact O-N 3.48Å; T749-R753 WeakPolarHBondContact O-CB 3.29Å; T749-R753 PolarHBondContact O-N 3.36Å
750	V	90.6	Very high	83.6	Confident	64 Å²	64	78.7 Å²	78.7	39%	0.388	41%	0.413	S	S	.	.	H	α-helix	trans	-68.4	-46.1	173.2	174.2	0	0	0	0	110.6	E746 E747 V748 R753 Q754	E746-V750 PolarHBondContact O-N 3.47Å; E746-V750 VanDerWaalsContact O-N 3.14Å; E747-V750 PolarHBondContact O-N 3.3Å; V748-V750 VanDerWaalsContact C-N 3.33Å; V748-V750 PolarHBondContact O-N 3.35Å; V750-R753 PolarHBondContact O-N 3.39Å; V750-Q754 WeakPolarHBondContact O-CG 3.34Å; V750-Q754 PolarHBondContact O-N 3.07Å
751	L	89.1	Confident	81.9	Confident	44 Å²	44	80.1 Å²	80.1	23%	0.23	42%	0.42	C	S	.	.	H	α-helix	trans	-62.7	-42	176.5	-68.5	171.3	0	0	0	112.1	Y721 E747 V748 Q754 S755	Y721-L751 HydrophobicContact CD1-CB 4.08Å; Y721-L751 HydrophobicContact CD1-CD1 4.42Å; Y721-L751 HydrophobicContact CE1-CB 3.86Å; Y721-L751 HydrophobicContact CE1-CD1 3.75Å; Y721-L751 HydrophobicContact CE1-CG 4.41Å; Y721-L751 HydrophobicContact CE2-CB 4.4Å; Y721-L751 HydrophobicContact CG-CB 4.46Å; E747-L751 HydrophobicContact CG-CD1 4.35Å; E747-L751 WeakPolarHBondContact O-CG 3.29Å; E747-L751 PolarHBondContact O-N 2.99Å; V748-L751 PolarHBondContact O-N 3.37Å; L751-Q754 PolarHBondContact O-N 3.44Å; L751-S755 WeakPolarHBondContact O-CB 3.41Å; L751-S755 PolarHBondContact O-N 2.88Å
752	L	88.2	Confident	79.8	Confident	36 Å²	36	87.1 Å²	87.1	19%	0.188	46%	0.457	C	S	.	.	H	α-helix	trans	-60	-46.2	174.2	-179.9	64	0	0	0	111.3	L722 V748 Q754 S755 L756	L722-L752 HydrophobicContact CD2-CD1 3.8Å; L722-L752 HydrophobicContact CD2-CD2 3.86Å; L722-L752 HydrophobicContact CG-CD1 4.06Å; V748-L752 VanDerWaalsContact O-CB 3.28Å; V748-L752 WeakPolarHBondContact O-CB 3.49Å; V748-L752 PolarHBondContact O-N 2.92Å; L752-Q754 VanDerWaalsContact C-N 3.33Å; L752-Q754 PolarHBondContact O-N 2.9Å; L752-S755 PolarHBondContact O-N 3.06Å; L752-L756 HydrophobicContact CD1-CD1 4.25Å; L752-L756 HydrophobicContact CD1-CG 4.41Å; L752-L756 HydrophobicContact CG-CD1 4.08Å; L752-L756 WeakPolarHBondContact O-CB 3.4Å; L752-L756 VanDerWaalsContact O-CG 3.31Å; L752-L756 WeakPolarHBondContact O-CG 3.45Å; L752-L756 PolarHBondContact O-N 3.2Å
753	R	86.9	Confident	77.4	Confident	184 Å²	184	89.8 Å²	89.8	69%	0.694	47%	0.467	S	S	*	.	H	α-helix	trans	-61.8	-39.6	176.6	-172.8	-179.1	-64.7	162.9	3	112	T749 V750 S757	T749-R753 WeakPolarHBondContact O-CB 3.29Å; T749-R753 PolarHBondContact O-N 3.36Å; V750-R753 PolarHBondContact O-N 3.39Å; R753-S757 WeakPolarHBondContact O-CB 3.38Å; R753-S757 PolarHBondContact O-N 2.66Å
754	Q	85.6	Confident	75	Confident	111 Å²	111	90.2 Å²	90.2	52%	0.519	48%	0.482	S	S	.	.	H	α-helix	trans	-65.4	-47.4	175.6	-72.1	174.1	7.9	0	0	111.5	V750 L751 L752 L756 S757 S758	V750-Q754 WeakPolarHBondContact O-CG 3.34Å; V750-Q754 PolarHBondContact O-N 3.07Å; L751-Q754 PolarHBondContact O-N 3.44Å; L752-Q754 VanDerWaalsContact C-N 3.33Å; L752-Q754 PolarHBondContact O-N 2.9Å; Q754-L756 PolarHBondContact O-N 3.44Å; Q754-S757 PolarHBondContact O-N 2.87Å; Q754-S757 PolarHBondContact O-OG 3.14Å; Q754-S758 PolarHBondContact O-N 3.42Å; Q754-S758 PolarHBondContact O-OG 2.89Å
755	S	81.8	Confident	72.4	Confident	60 Å²	60	99.5 Å²	99.5	42%	0.42	52%	0.515	S	S	.	.	H	α-helix	trans	-62	-38.7	178.2	-170.1	0	0	0	0	113.1	L751 L752 S758 A759	L751-S755 WeakPolarHBondContact O-CB 3.41Å; L751-S755 PolarHBondContact O-N 2.88Å; L752-S755 PolarHBondContact O-N 3.06Å; S755-S758 PolarHBondContact O-OG 3.31Å; S755-S758 VanDerWaalsContact O-OG 3.04Å; S755-A759 WeakPolarHBondContact O-CB 3.3Å; S755-A759 PolarHBondContact O-N 3.35Å
756	L	78.3	Confident	70.1	Confident	110 Å²	110	107.9 Å²	107.9	58%	0.576	55%	0.55	S	S	*	*	H	α-helix	trans	-66.1	-38.3	171.5	-71	169.1	0	0	0	111.8	L752 Q754	L752-L756 HydrophobicContact CD1-CD1 4.25Å; L752-L756 HydrophobicContact CD1-CG 4.41Å; L752-L756 HydrophobicContact CG-CD1 4.08Å; L752-L756 WeakPolarHBondContact O-CB 3.4Å; L752-L756 VanDerWaalsContact O-CG 3.31Å; L752-L756 WeakPolarHBondContact O-CG 3.45Å; L752-L756 PolarHBondContact O-N 3.2Å; Q754-L756 PolarHBondContact O-N 3.44Å
757	S	73.6	Confident	67.5	Low	67 Å²	67	108 Å²	108	47%	0.469	56%	0.561	S	S	.	*	H	α-helix	trans	-67.9	-41.5	179.9	75.2	0	0	0	0	113.1	R753 Q754 T760	R753-S757 WeakPolarHBondContact O-CB 3.38Å; R753-S757 PolarHBondContact O-N 2.66Å; Q754-S757 PolarHBondContact O-N 2.87Å; Q754-S757 PolarHBondContact O-OG 3.14Å; S757-T760 PolarHBondContact O-N 3.48Å; S757-T760 PolarHBondContact O-OG1 3.32Å
758	S	63	Low	65	Low	70 Å²	70	109.8 Å²	109.8	49%	0.49	58%	0.577	S	S	.	*	H	α-helix	trans	-66.6	-39.7	177.7	51.5	0	0	0	0	112	Q754 S755 T760 Q761	Q754-S758 PolarHBondContact O-N 3.42Å; Q754-S758 PolarHBondContact O-OG 2.89Å; S755-S758 PolarHBondContact O-OG 3.31Å; S755-S758 VanDerWaalsContact O-OG 3.04Å; S758-T760 PolarHBondContact O-N 2.83Å; S758-Q761 PolarHBondContact O-N 3Å; S758-Q761 VanDerWaalsContact O-N 3.14Å
759	A	58.3	Low	62.1	Low	69 Å²	69	114.2 Å²	114.2	57%	0.57	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-15.6	176.7	0	0	0	0	0	114.8	S755	S755-A759 WeakPolarHBondContact O-CB 3.3Å; S755-A759 PolarHBondContact O-N 3.35Å
760	T	54.8	Low	59.6	Low	106 Å²	106	119.1 Å²	119.1	65%	0.65	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-12.1	177.5	64.6	0	0	0	0	115.2	S757 S758	S757-T760 PolarHBondContact O-N 3.48Å; S757-T760 PolarHBondContact O-OG1 3.32Å; S758-T760 PolarHBondContact O-N 2.83Å
761	Q	51.8	Low	56.9	Low	162 Å²	162	122.5 Å²	122.5	76%	0.757	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-34.1	-178.4	-66.3	-71.4	-28.8	0	0	113	S758 K763	S758-Q761 PolarHBondContact O-N 3Å; S758-Q761 VanDerWaalsContact O-N 3.14Å; Q761-K763 VanDerWaalsContact C-N 3.32Å; Q761-K763 PolarHBondContact O-N 3.45Å; Q761-K763 VanDerWaalsContact O-N 3.12Å
762	D	45.1	Very low	54.5	Low	147 Å²	147	129 Å²	129	79%	0.786	69%	0.687	S	S	*	*	S	Bend	trans	-86.2	29.4	-167.3	-84.9	-34.1	0	0	0	115.9
763	K	39.5	Very low	52	Low	175 Å²	175	134 Å²	134	76%	0.761	72%	0.718	S	S	*	*			trans	-132.6	107.4	173	-73.3	-173.4	-179.9	176.7	0	112.4	Q761 R765	Q761-K763 VanDerWaalsContact C-N 3.32Å; Q761-K763 PolarHBondContact O-N 3.45Å; Q761-K763 VanDerWaalsContact O-N 3.12Å; K763-R765 PolarHBondContact O-N 3.48Å
764	P	41.3	Very low	49.4	Very low	127 Å²	127	133 Å²	133	83%	0.825	73%	0.727	S	S	*	*			trans	-65.9	119.5	173.6	27.1	-33	0	0	0	110	K766	P764-K766 PolarHBondContact O-N 2.93Å
765	R	36.2	Very low	46.8	Very low	242 Å²	242	131.2 Å²	131.2	91%	0.913	74%	0.738	S	S	*	*			trans	-65.5	115.5	-178.2	-65.5	179	-180	175.8	-1.2	110.5	K763 T767	K763-R765 PolarHBondContact O-N 3.48Å; R765-T767 PolarHBondContact O-N 2.91Å
766	K	43.1	Very low	44.3	Very low	203 Å²	203	138 Å²	138	88%	0.883	76%	0.763	S	S	*	*			trans	-73.2	120.2	158.6	-76.5	-172.8	175.5	-179.1	0	108.4	P764	P764-K766 PolarHBondContact O-N 2.93Å
767	T	36.5	Very low	42.1	Very low	142 Å²	142	141.9 Å²	141.9	87%	0.871	78%	0.778	S	S	*	*			trans	-69.3	133.9	169.4	27.5	0	0	0	0	110.3	R765	R765-T767 PolarHBondContact O-N 2.91Å
768	V	38.9	Very low	40	Very low	129 Å²	129	145.7 Å²	145.7	78%	0.782	80%	0.799	S	S	*	*			trans	-116.8	130.7	166.4	179.5	0	0	0	0	106.3
769	A	32.8	Very low	38.3	Very low	94 Å²	94	150.3 Å²	150.3	78%	0.777	81%	0.814	S	S	*	*			trans	-76.2	134.2	176.7	0	0	0	0	0	109.9
770	I	37.1	Very low	36.8	Very low	159 Å²	159	152.9 Å²	152.9	82%	0.815	82%	0.824	S	S	*	*			trans	-90.9	148.1	173.1	-63	170.8	0	0	0	108.1
771	T	33.6	Very low	35.4	Very low	135 Å²	135	156.6 Å²	156.6	83%	0.828	83%	0.834	S	S	*	*			trans	-128.2	133.7	168	-43.3	0	0	0	0	107.6
772	E	38.5	Very low	34.3	Very low	181 Å²	181	153.4 Å²	153.4	85%	0.846	83%	0.834	S	S	*	*			trans	-86.2	139.2	-170.6	-60.6	166.5	146.5	0	0	111.6
773	V	36	Very low	33.9	Very low	141 Å²	141	151.8 Å²	151.8	86%	0.855	83%	0.832	S	S	*	*			trans	-147.4	138.9	153.2	-173.6	0	0	0	0	107.6
774	D	30.8	Very low	33.2	Very low	162 Å²	162	150.5 Å²	150.5	87%	0.866	83%	0.834	S	S	*	*			trans	-75	162.5	-172.8	-46.2	-95.4	0	0	0	114.9
775	G	31	Very low	32.6	Very low	74 Å²	74	149.7 Å²	149.7	76%	0.763	83%	0.831	S	S	*	*			trans	167.8	75.1	170.6	0	0	0	0	0	117.5
776	E	30	Very low	32	Very low	202 Å²	202	147.5 Å²	147.5	94%	0.944	83%	0.831	S	S	*	*			trans	32.4	147.7	152.8	-60.3	-174.5	146.8	0	0	123.7
777	E	33.2	Very low	31.4	Very low	192 Å²	192	143.3 Å²	143.3	90%	0.897	83%	0.828	S	S	*	*			trans	-87.2	144.9	-179	-46.7	174.9	137.5	0	0	113.8
778	V	29.1	Very low	30.8	Very low	148 Å²	148	141.1 Å²	141.1	90%	0.897	82%	0.818	S	S	*	*			trans	-148.8	147.8	140.3	174.8	0	0	0	0	109.2
779	M	27.1	Very low	30.2	Very low	166 Å²	166	141.2 Å²	141.2	82%	0.818	82%	0.823	S	S	*	*			trans	-91.1	178.6	-178.8	-70.2	-173.1	-74.1	0	0	114.8
780	T	26.3	Very low	30.1	Very low	124 Å²	124	142.8 Å²	142.8	76%	0.761	82%	0.823	S	S	*	*			trans	100.6	140.1	141.4	10.9	0	0	0	0	121
781	E	25	Very low	29.7	Very low	184 Å²	184	138.5 Å²	138.5	86%	0.86	82%	0.818	S	S	*	*			trans	73.5	117.1	160.3	-67.8	178.3	-159.5	0	0	120.7
782	A	28.5	Very low	29.6	Very low	94 Å²	94	139.4 Å²	139.4	78%	0.777	82%	0.818	S	S	*	*			trans	-109.1	155.9	149.5	0	0	0	0	0	107.9
783	P	37.6	Very low	29.7	Very low	114 Å²	114	138.5 Å²	138.5	74%	0.74	82%	0.819	S	S	*	*				-142.3	146.2	114	36.2	-23.7	0	0	0	116
784	N	24.1	Very low	30.4	Very low	148 Å²	148	136.9 Å²	136.9	79%	0.791	80%	0.804	S	S	*	*			trans	62	120.5	145.5	-63.7	-3	0	0	0	122.3
785	S	28.6	Very low	31.6	Very low	110 Å²	110	134.7 Å²	134.7	77%	0.769	80%	0.801	S	S	*	*			trans	56.9	100	136.9	63.7	0	0	0	0	120.1
786	E	24.7	Very low	33.1	Very low	195 Å²	195	133 Å²	133	91%	0.911	78%	0.775	S	S	*	*				-153.4	164.2	100.2	-108.7	174.8	-155.6	0	0	110.5	S788	E786-S788 PolarHBondContact O-N 3.1Å
787	S	29.1	Very low	35.1	Very low	116 Å²	116	126.4 Å²	126.4	81%	0.811	75%	0.746	S	S	*	*			trans	-84.3	100.9	-164.6	57.3	0	0	0	0	113.8	C789	S787-C789 PolarHBondContact O-N 3.25Å
788	S	25.8	Very low	36.8	Very low	96 Å²	96	120.9 Å²	120.9	67%	0.671	72%	0.722	S	S	*	*			trans	-83.9	102.3	173.4	63.9	0	0	0	0	112.8	E786 T790	E786-S788 PolarHBondContact O-N 3.1Å; S788-T790 PolarHBondContact O-N 3.07Å; S788-T790 VanDerWaalsContact O-N 3.07Å
789	C	25.1	Very low	38.9	Very low	131 Å²	131	122 Å²	122	89%	0.885	72%	0.715	S	S	*	*			trans	-75.3	88.2	166.6	-63	0	0	0	0	110.2	S787	S787-C789 PolarHBondContact O-N 3.25Å
790	T	30.4	Very low	41.1	Very low	127 Å²	127	114.8 Å²	114.8	78%	0.779	68%	0.68	S	S	*	*			trans	-103	118.1	177.8	46.5	0	0	0	0	112.1	S788	S788-T790 PolarHBondContact O-N 3.07Å; S788-T790 VanDerWaalsContact O-N 3.07Å
791	G	29	Very low	43.5	Very low	69 Å²	69	113.5 Å²	113.5	71%	0.711	68%	0.676	S	S	*	*			trans	125.9	102	-173.4	0	0	0	0	0	109.8
792	D	30.7	Very low	46.3	Very low	154 Å²	154	107.2 Å²	107.2	82%	0.824	65%	0.653	S	S	*	*			cis	-118.5	169.2	8.3	-73.7	-49.4	0	0	0	113.2	I794	D792-I794 VanDerWaalsContact C-N 3.33Å; D792-I794 PolarHBondContact O-N 3.26Å
793	N	42	Very low	48.9	Very low	162 Å²	162	104.4 Å²	104.4	87%	0.866	63%	0.63	S	S	*	*			trans	-68.2	87.6	168.3	-90.6	-48.9	0	0	0	110.5	S795	N793-S795 PolarHBondContact O-N 3.3Å
794	I	50.1	Low	51	Low	106 Å²	106	106.4 Å²	106.4	54%	0.544	62%	0.624	S	S	.	*			trans	-63.5	109.2	173.2	-51.5	174.9	0	0	0	108.5	D792 I796 A812	D792-I794 VanDerWaalsContact C-N 3.33Å; D792-I794 PolarHBondContact O-N 3.26Å; I794-I796 PolarHBondContact O-N 2.84Å; I794-A812 HydrophobicContact CG2-CB 3.74Å
795	S	55.8	Low	53.9	Low	116 Å²	116	102.4 Å²	102.4	81%	0.811	60%	0.6	S	S	*	*			trans	-73.9	89.3	176.2	-69.9	0	0	0	0	110.1	N793 N797	N793-S795 PolarHBondContact O-N 3.3Å; S795-N797 PolarHBondContact O-N 3.16Å
796	I	63.6	Low	56.8	Low	39 Å²	39	97.1 Å²	97.1	20%	0.2	56%	0.563	C	S	.	*			trans	-64.1	112.9	174.6	-60.7	172.1	0	0	0	108.1	I794 L798 A812 A821	I794-I796 PolarHBondContact O-N 2.84Å; I796-L798 HydrophobicContact CG2-CD2 4.27Å; I796-L798 PolarHBondContact O-N 3.46Å; I796-L798 VanDerWaalsContact O-N 3.13Å; I796-A812 HydrophobicContact CG1-CB 4.22Å; I796-A821 HydrophobicContact CD1-CB 3.68Å
797	N	71.2	Confident	59.7	Low	63 Å²	63	87.9 Å²	87.9	34%	0.337	52%	0.52	S	S	.	.			trans	-72.9	107.8	178.9	-177.7	2.3	0	0	0	109.4	S795 K799 S809 L825	S795-N797 PolarHBondContact O-N 3.16Å; N797-K799 PolarHBondContact ND2-O 3.21Å; N797-K799 PolarHBondContact O-N 2.85Å; N797-K799 PolarHBondContact OD1-N 3.16Å; N797-K799 PolarHBondContact OD1-O 3.19Å; N797-S809 PolarHBondContact N-OG 3.41Å; N797-S809 PolarHBondContact O-OG 2.92Å; N797-L825 WeakPolarHBondContact O-CD1 3.32Å
798	L	69.6	Low	62.3	Low	76 Å²	76	87.3 Å²	87.3	40%	0.398	51%	0.505	S	S	.	.	S	Bend	trans	-77.5	-1.1	179.9	-63.2	177.5	0	0	0	113.9	I796 K824 S828	I796-L798 HydrophobicContact CG2-CD2 4.27Å; I796-L798 PolarHBondContact O-N 3.46Å; I796-L798 VanDerWaalsContact O-N 3.13Å; L798-K824 HydrophobicContact CD2-CB 3.98Å; L798-S828 WeakPolarHBondContact O-CB 3.24Å; L798-S828 PolarHBondContact O-OG 3.27Å
799	K	71.7	Confident	65.3	Low	171 Å²	171	83.1 Å²	83.1	74%	0.743	48%	0.476	S	S	*	.	S	Bend	trans	-136.2	74.9	170.8	-71.6	-166	174.3	-167.3	0	110.3	N797 S801	N797-K799 PolarHBondContact ND2-O 3.21Å; N797-K799 PolarHBondContact O-N 2.85Å; N797-K799 PolarHBondContact OD1-N 3.16Å; N797-K799 PolarHBondContact OD1-O 3.19Å; K799-S801 PolarHBondContact O-N 3.34Å
800	P	73.6	Confident	68.3	Low	15 Å²	15	77.1 Å²	77.1	10%	0.097	44%	0.435	C	S	.	.			trans	-67.1	131.8	174.6	28.5	-32.4	0	0	0	110.3	E805 F806 L825	P800-E805 HydrophobicContact CB-CB 3.7Å; P800-F806 HydrophobicContact CB-CB 3.85Å; P800-F806 VanDerWaalsContact CB-N 3.31Å; P800-F806 HydrophobicContact CG-CB 3.82Å; P800-F806 HydrophobicContact CG-CD2 3.79Å; P800-F806 HydrophobicContact CG-CG 4.3Å; P800-L825 HydrophobicContact CG-CD1 4.01Å
801	S	77.4	Confident	71	Confident	97 Å²	97	73.4 Å²	73.4	68%	0.678	41%	0.41	S	S	*	.	S	Bend	trans	-91	-10.1	175.9	67	0	0	0	0	113.1	K799 E805	K799-S801 PolarHBondContact O-N 3.34Å; S801-E805 WeakPolarHBondContact CA-OE2 3.45Å; S801-E805 WeakPolarHBondContact CB-OE2 3.37Å; S801-E805 PolarHBondContact N-OE2 3.27Å; S801-E805 PolarHBondContact OG-OE2 2.89Å
802	S	83.9	Confident	73.7	Confident	53 Å²	53	70.8 Å²	70.8	37%	0.371	38%	0.382	S	S	.	.	S	Bend	trans	-145.3	150.4	-174.5	173.5	0	0	0	0	111.3	Y804 E805 F806	S802-Y804 PolarHBondContact O-N 3.11Å; S802-Y804 VanDerWaalsContact O-N 3.08Å; S802-Y804 PolarHBondContact OG-N 3.37Å; S802-E805 PolarHBondContact O-N 3.47Å; S802-F806 PolarHBondContact O-N 3.07Å
803	A	83.3	Confident	76.4	Confident	34 Å²	34	63.5 Å²	63.5	28%	0.281	34%	0.343	S	S	.	.	H	α-helix	trans	-49.9	-32.4	171.1	0	0	0	0	0	113	G807 Y837	A803-G807 PolarHBondContact O-N 3.47Å; A803-Y837 HydrophobicContact CB-CD1 3.81Å; A803-Y837 HydrophobicContact CB-CG 4.39Å
804	Y	81.4	Confident	78.5	Confident	157 Å²	157	59 Å²	59	62%	0.616	31%	0.314	S	S	*	.	H	α-helix	trans	-68.2	-44.2	176.7	-174.4	-105.8	0	0	0	112.4	S802 G807 Q808	S802-Y804 PolarHBondContact O-N 3.11Å; S802-Y804 VanDerWaalsContact O-N 3.08Å; S802-Y804 PolarHBondContact OG-N 3.37Å; Y804-G807 PolarHBondContact O-N 3.48Å; Y804-Q808 HydrophobicContact CE1-CG 4.32Å; Y804-Q808 VanDerWaalsContact CZ-NE2 3.3Å; Y804-Q808 WeakPolarHBondContact O-CG 3.08Å; Y804-Q808 PolarHBondContact O-N 3.32Å; Y804-Q808 PolarHBondContact OH-NE2 2.88Å; Y804-Q808 VanDerWaalsContact OH-NE2 3.1Å
805	E	84.8	Confident	80	Confident	63 Å²	63	59.2 Å²	59.2	29%	0.294	32%	0.323	S	S	.	.	H	α-helix	trans	-70.3	-37.4	178.1	-61.1	-172.9	129.7	0	0	111.9	P800 S801 S802 S809	P800-E805 HydrophobicContact CB-CB 3.7Å; S801-E805 WeakPolarHBondContact CA-OE2 3.45Å; S801-E805 WeakPolarHBondContact CB-OE2 3.37Å; S801-E805 PolarHBondContact N-OE2 3.27Å; S801-E805 PolarHBondContact OG-OE2 2.89Å; S802-E805 PolarHBondContact O-N 3.47Å; E805-S809 VanDerWaalsContact O-CB 3.3Å; E805-S809 WeakPolarHBondContact O-CB 3.5Å; E805-S809 PolarHBondContact O-N 3.47Å; E805-S809 PolarHBondContact O-OG 2.85Å
806	F	88.8	Confident	81.2	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.3	-48.9	173.3	-178.7	-87.5	0	0	0	110.1	P800 S802 Q808 S809 L810 L825 T829 L834 Y837 L838	P800-F806 HydrophobicContact CB-CB 3.85Å; P800-F806 VanDerWaalsContact CB-N 3.31Å; P800-F806 HydrophobicContact CG-CB 3.82Å; P800-F806 HydrophobicContact CG-CD2 3.79Å; P800-F806 HydrophobicContact CG-CG 4.3Å; S802-F806 PolarHBondContact O-N 3.07Å; F806-Q808 PolarHBondContact O-N 2.86Å; F806-S809 PolarHBondContact O-N 3.3Å; F806-L810 HydrophobicContact CE1-CB 4.41Å; F806-L810 HydrophobicContact CE1-CD2 3.87Å; F806-L810 VanDerWaalsContact O-CB 3.3Å; F806-L810 WeakPolarHBondContact O-CB 3.45Å; F806-L810 PolarHBondContact O-N 3.09Å; F806-L825 HydrophobicContact CD2-CD1 4.33Å; F806-L825 HydrophobicContact CD2-CD2 4.37Å; F806-L825 HydrophobicContact CD2-CG 4.22Å; F806-L825 HydrophobicContact CE2-CD2 4.2Å; F806-L825 HydrophobicContact CE2-CG 3.97Å; F806-T829 HydrophobicContact CD2-CG2 4.18Å; F806-T829 HydrophobicContact CE2-CG2 3.94Å; F806-T829 WeakPolarHBondContact CE2-OG1 3.49Å; F806-L834 HydrophobicContact CE1-CD1 4.03Å; F806-L834 HydrophobicContact CE2-CD1 4.26Å; F806-L834 HydrophobicContact CZ-CD1 3.48Å; F806-L834 VanDerWaalsContact CZ-CD1 3.48Å; F806-Y837 HydrophobicContact CB-CD2 3.62Å; F806-Y837 HydrophobicContact CB-CE2 4.23Å; F806-Y837 HydrophobicContact CB-CG 4.03Å; F806-Y837 HydrophobicContact CD1-CD2 4.2Å; F806-Y837 HydrophobicContact CD1-CG 4.39Å; F806-Y837 AromaticContact CD2-CD2 3.62Å; F806-Y837 HydrophobicContact CD2-CD2 3.62Å; F806-Y837 HydrophobicContact CD2-CE2 4.28Å; F806-Y837 HydrophobicContact CE2-CD2 4.36Å; F806-Y837 AromaticContact CG-CD2 3.54Å; F806-Y837 HydrophobicContact CG-CD2 3.54Å; F806-Y837 HydrophobicContact CG-CE2 4.42Å; F806-Y837 HydrophobicContact CG-CG 4.08Å; F806-L838 HydrophobicContact CE1-CD2 3.86Å; F806-L838 HydrophobicContact CE1-CG 4.08Å
807	G	86.6	Confident	82.1	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-59.5	-41.9	176.5	0	0	0	0	0	113.3	A803 Y804 N811	A803-G807 PolarHBondContact O-N 3.47Å; Y804-G807 PolarHBondContact O-N 3.48Å; G807-N811 VanDerWaalsContact O-CB 3.31Å; G807-N811 WeakPolarHBondContact O-CB 3.33Å; G807-N811 PolarHBondContact O-N 3.34Å; G807-N811 PolarHBondContact O-ND2 2.63Å
808	Q	84.4	Confident	82.9	Confident	104 Å²	104	57.9 Å²	57.9	49%	0.486	32%	0.324	S	S	.	.	H	α-helix	trans	-61.4	-47.7	172.1	-77.6	-168.9	-8.3	0	0	111.9	Y804 F806 L810 N811 A812	Y804-Q808 HydrophobicContact CE1-CG 4.32Å; Y804-Q808 VanDerWaalsContact CZ-NE2 3.3Å; Y804-Q808 WeakPolarHBondContact O-CG 3.08Å; Y804-Q808 PolarHBondContact O-N 3.32Å; Y804-Q808 PolarHBondContact OH-NE2 2.88Å; Y804-Q808 VanDerWaalsContact OH-NE2 3.1Å; F806-Q808 PolarHBondContact O-N 2.86Å; Q808-L810 PolarHBondContact O-N 3.32Å; Q808-N811 PolarHBondContact O-N 3.17Å; Q808-A812 WeakPolarHBondContact O-CB 3.31Å; Q808-A812 PolarHBondContact O-N 2.65Å
809	S	87.9	Confident	83.8	Confident	8 Å²	8	55.7 Å²	55.7	6%	0.056	31%	0.314	C	S	.	.	H	α-helix	trans	-68.7	-34.6	-176.1	-58.7	0	0	0	0	112.7	N797 E805 F806 S813	N797-S809 PolarHBondContact N-OG 3.41Å; N797-S809 PolarHBondContact O-OG 2.92Å; E805-S809 VanDerWaalsContact O-CB 3.3Å; E805-S809 WeakPolarHBondContact O-CB 3.5Å; E805-S809 PolarHBondContact O-N 3.47Å; E805-S809 PolarHBondContact O-OG 2.85Å; F806-S809 PolarHBondContact O-N 3.3Å; S809-S813 WeakPolarHBondContact O-CB 3.26Å; S809-S813 PolarHBondContact O-N 3.45Å; S809-S813 PolarHBondContact O-OG 2.68Å
810	L	87.9	Confident	84.5	Confident	5 Å²	5	49 Å²	49	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-70.6	-45	173	-179.3	63	0	0	0	111.5	F806 Q808 S813 R814 L825 L838 T846 F849 I850	F806-L810 HydrophobicContact CE1-CB 4.41Å; F806-L810 HydrophobicContact CE1-CD2 3.87Å; F806-L810 VanDerWaalsContact O-CB 3.3Å; F806-L810 WeakPolarHBondContact O-CB 3.45Å; F806-L810 PolarHBondContact O-N 3.09Å; Q808-L810 PolarHBondContact O-N 3.32Å; L810-S813 WeakPolarHBondContact O-CB 3.41Å; L810-S813 PolarHBondContact O-N 2.77Å; L810-R814 WeakPolarHBondContact O-CB 3.02Å; L810-R814 PolarHBondContact O-N 3.5Å; L810-L825 HydrophobicContact CB-CD2 4.08Å; L810-L838 HydrophobicContact CD2-CD2 3.57Å; L810-T846 HydrophobicContact CD2-CG2 3.85Å; L810-F849 HydrophobicContact CD1-CD1 4.45Å; L810-I850 HydrophobicContact CD1-CG1 4.38Å; L810-I850 HydrophobicContact CD2-CD1 4.26Å
811	N	86.8	Confident	85.1	Confident	48 Å²	48	48.8 Å²	48.8	26%	0.257	29%	0.29	S	S	.	.	H	α-helix	trans	-64.9	-39.8	175.9	-81.1	-68.1	0	0	0	111.8	G807 Q808 S813 R814 C815 Q841	G807-N811 VanDerWaalsContact O-CB 3.31Å; G807-N811 WeakPolarHBondContact O-CB 3.33Å; G807-N811 PolarHBondContact O-N 3.34Å; G807-N811 PolarHBondContact O-ND2 2.63Å; Q808-N811 PolarHBondContact O-N 3.17Å; N811-S813 PolarHBondContact O-N 3.32Å; N811-R814 PolarHBondContact O-N 2.72Å; N811-R814 PolarHBondContact OD1-NE 3Å; N811-R814 PolarHBondContact OD1-NH2 3.37Å; N811-C815 WeakPolarHBondContact O-CB 3.39Å; N811-C815 PolarHBondContact O-N 3.48Å; N811-C815 PolarHBondContact O-SG 3.01Å; N811-Q841 PolarHBondContact ND2-OE1 3.47Å; N811-Q841 VanDerWaalsContact ND2-OE1 3.15Å
812	A	86	Confident	85.6	Confident	15 Å²	15	44.1 Å²	44.1	12%	0.124	26%	0.257	C	S	.	.	H	α-helix	trans	-56.2	-49.8	170.7	0	0	0	0	0	111.5	I794 I796 Q808 R814 C815 C816	I794-A812 HydrophobicContact CG2-CB 3.74Å; I796-A812 HydrophobicContact CG1-CB 4.22Å; Q808-A812 WeakPolarHBondContact O-CB 3.31Å; Q808-A812 PolarHBondContact O-N 2.65Å; A812-R814 VanDerWaalsContact C-N 3.31Å; A812-R814 PolarHBondContact O-N 3.34Å; A812-C815 PolarHBondContact O-N 3.32Å; A812-C816 PolarHBondContact O-N 3.28Å; A812-C816 VanDerWaalsContact O-N 3.11Å; A812-C816 PolarHBondContact O-SG 2.8Å
813	S	86.6	Confident	85.8	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.8	-38.9	176.7	-56.8	0	0	0	0	112.4	S809 L810 N811 G817 N818 F849	S809-S813 WeakPolarHBondContact O-CB 3.26Å; S809-S813 PolarHBondContact O-N 3.45Å; S809-S813 PolarHBondContact O-OG 2.68Å; L810-S813 WeakPolarHBondContact O-CB 3.41Å; L810-S813 PolarHBondContact O-N 2.77Å; N811-S813 PolarHBondContact O-N 3.32Å; S813-G817 PolarHBondContact O-N 2.85Å; S813-N818 PolarHBondContact O-N 3.17Å; S813-F849 VanDerWaalsContact O-CZ 3.31Å; S813-F849 WeakPolarHBondContact O-CZ 3.45Å
814	R	87.5	Confident	86	Confident	68 Å²	68	46.7 Å²	46.7	26%	0.257	26%	0.257	S	S	.	.	H	α-helix	trans	-67.7	-45.6	176.9	-176.7	166.3	68.1	152.5	-6.5	111.6	L810 N811 A812 C816 G817 D843 T846 F849	L810-R814 WeakPolarHBondContact O-CB 3.02Å; L810-R814 PolarHBondContact O-N 3.5Å; N811-R814 PolarHBondContact O-N 2.72Å; N811-R814 PolarHBondContact OD1-NE 3Å; N811-R814 PolarHBondContact OD1-NH2 3.37Å; A812-R814 VanDerWaalsContact C-N 3.31Å; A812-R814 PolarHBondContact O-N 3.34Å; R814-C816 VanDerWaalsContact C-N 3.34Å; R814-C816 PolarHBondContact O-N 2.8Å; R814-G817 PolarHBondContact O-N 3.32Å; R814-G817 VanDerWaalsContact O-N 3.1Å; R814-D843 IonicContact CZ-OD2 3.93Å; R814-D843 VanDerWaalsContact NH1-CG 3.33Å; R814-D843 IonicContact NH1-OD1 3.68Å; R814-D843 PolarHBondContact NH1-OD1 2.85Å; R814-D843 IonicContact NH1-OD2 2.73Å; R814-D843 PolarHBondContact NH1-OD2 2.9Å; R814-D843 IonicContact NH2-OD2 2.8Å; R814-D843 PolarHBondContact NH2-OD2 3.01Å; R814-T846 PolarHBondContact NH1-OG1 2.83Å; R814-F849 HydrophobicContact CB-CD1 4Å; R814-F849 HydrophobicContact CB-CE1 3.98Å; R814-F849 HydrophobicContact CB-CG 4.48Å; R814-F849 HydrophobicContact CB-CZ 4.47Å; R814-F849 HydrophobicContact CG-CD1 4.31Å; R814-F849 HydrophobicContact CG-CG 4.33Å
815	C	81.3	Confident	86.3	Confident	110 Å²	110	39.3 Å²	39.3	74%	0.743	23%	0.228	S	C	*	.	H	α-helix	trans	-66.1	-30.7	179.8	-71	0	0	0	0	113.6	N811 A812	N811-C815 WeakPolarHBondContact O-CB 3.39Å; N811-C815 PolarHBondContact O-N 3.48Å; N811-C815 PolarHBondContact O-SG 3.01Å; A812-C815 PolarHBondContact O-N 3.32Å
816	C	80.4	Confident	86.4	Confident	71 Å²	71	36.3 Å²	36.3	48%	0.48	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	10.8	172.4	68.4	0	0	0	0	114	A812 R814 N818	A812-C816 PolarHBondContact O-N 3.28Å; A812-C816 VanDerWaalsContact O-N 3.11Å; A812-C816 PolarHBondContact O-SG 2.8Å; R814-C816 VanDerWaalsContact C-N 3.34Å; R814-C816 PolarHBondContact O-N 2.8Å; C816-N818 PolarHBondContact O-N 3.07Å; C816-N818 WeakPolarHBondContact SG-CB 3.38Å
817	G	84	Confident	86.4	Confident	50 Å²	50	39.4 Å²	39.4	52%	0.515	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	9.6	178.3	0	0	0	0	0	115.3	S813 R814 T819	S813-G817 PolarHBondContact O-N 2.85Å; R814-G817 PolarHBondContact O-N 3.32Å; R814-G817 VanDerWaalsContact O-N 3.1Å; G817-T819 PolarHBondContact O-N 3.04Å
818	N	87.9	Confident	86.3	Confident	70 Å²	70	41.8 Å²	41.8	37%	0.374	25%	0.249	S	C	.	.			trans	-86.8	84.8	-162.9	-166.9	-26.6	0	0	0	111.8	S813 C816 A820 A821 C822	S813-N818 PolarHBondContact O-N 3.17Å; C816-N818 PolarHBondContact O-N 3.07Å; C816-N818 WeakPolarHBondContact SG-CB 3.38Å; N818-A820 PolarHBondContact O-N 3.4Å; N818-A820 PolarHBondContact OD1-N 3.25Å; N818-A821 HydrophobicContact CB-CB 3.99Å; N818-A821 PolarHBondContact O-N 2.92Å; N818-A821 VanDerWaalsContact O-N 3.11Å; N818-A821 PolarHBondContact OD1-N 3.2Å; N818-C822 PolarHBondContact O-N 2.93Å; N818-C822 VanDerWaalsContact O-N 3.08Å
819	T	88.1	Confident	86.4	Confident	30 Å²	30	37.3 Å²	37.3	18%	0.184	23%	0.229	C	C	.	.	H	α-helix	trans	-58.8	-30.1	176.2	55.6	0	0	0	0	112.9	G817 C822 A823 F849 K852 H857	G817-T819 PolarHBondContact O-N 3.04Å; T819-C822 PolarHBondContact O-N 3.2Å; T819-A823 WeakPolarHBondContact O-CB 3.4Å; T819-A823 PolarHBondContact O-N 2.93Å; T819-F849 HydrophobicContact CG2-CD2 4.41Å; T819-F849 HydrophobicContact CG2-CE2 3.85Å; T819-F849 HydrophobicContact CG2-CZ 4.4Å; T819-K852 HydrophobicContact CG2-CB 4.32Å; T819-H857 PolarHBondContact OG1-NE2 3.4Å
820	A	85.9	Confident	86.3	Confident	30 Å²	30	43.5 Å²	43.5	25%	0.248	26%	0.257	C	S	.	.	H	α-helix	trans	-71.9	-31.6	176.7	0	0	0	0	0	112.9	N818 K824	N818-A820 PolarHBondContact O-N 3.4Å; N818-A820 PolarHBondContact OD1-N 3.25Å; A820-K824 VanDerWaalsContact O-CG 3.29Å; A820-K824 WeakPolarHBondContact O-CG 3.39Å; A820-K824 PolarHBondContact O-N 2.89Å; A820-K824 VanDerWaalsContact O-N 3.16Å
821	A	86.2	Confident	86.2	Confident	10 Å²	10	44.1 Å²	44.1	8%	0.083	26%	0.261	C	S	.	.	H	α-helix	trans	-71.7	-42.6	170.9	0	0	0	0	0	111.3	I796 N818 A823 K824 L825	I796-A821 HydrophobicContact CD1-CB 3.68Å; N818-A821 HydrophobicContact CB-CB 3.99Å; N818-A821 PolarHBondContact O-N 2.92Å; N818-A821 VanDerWaalsContact O-N 3.11Å; N818-A821 PolarHBondContact OD1-N 3.2Å; A821-A823 PolarHBondContact O-N 3.41Å; A821-K824 PolarHBondContact O-N 3.13Å; A821-L825 PolarHBondContact O-N 3.16Å
822	C	87.4	Confident	86.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-57.7	-46.9	172.9	-171.4	0	0	0	0	111.7	N818 T819 K824 L825 L826 F849 A853	N818-C822 PolarHBondContact O-N 2.93Å; N818-C822 VanDerWaalsContact O-N 3.08Å; T819-C822 PolarHBondContact O-N 3.2Å; C822-K824 VanDerWaalsContact C-N 3.33Å; C822-K824 PolarHBondContact O-N 2.9Å; C822-L825 WeakPolarHBondContact O-CB 3.32Å; C822-L825 PolarHBondContact O-N 2.95Å; C822-L826 WeakPolarHBondContact O-CG 3.3Å; C822-L826 PolarHBondContact O-N 3.27Å; C822-F849 HydrophobicContact CB-CD1 4.41Å; C822-F849 HydrophobicContact CB-CE1 3.63Å; C822-F849 HydrophobicContact CB-CZ 4.11Å; C822-A853 HydrophobicContact CB-CB 3.69Å; C822-A853 VanDerWaalsContact SG-CB 3.59Å
823	A	87.6	Confident	86.2	Confident	7 Å²	7	50.6 Å²	50.6	6%	0.058	29%	0.289	C	S	.	.	H	α-helix	trans	-63.2	-35.4	176.9	0	0	0	0	0	113.1	T819 A821 T827 A853 H857 L858	T819-A823 WeakPolarHBondContact O-CB 3.4Å; T819-A823 PolarHBondContact O-N 2.93Å; A821-A823 PolarHBondContact O-N 3.41Å; A823-T827 WeakPolarHBondContact O-CB 3.29Å; A823-T827 PolarHBondContact O-N 3.46Å; A823-T827 PolarHBondContact O-OG1 2.87Å; A823-A853 HydrophobicContact CB-CB 4.45Å; A823-H857 HydrophobicContact CB-CB 3.53Å; A823-L858 HydrophobicContact CB-CD1 4.39Å
824	K	87.5	Confident	86.1	Confident	134 Å²	134	50.6 Å²	50.6	58%	0.583	29%	0.289	S	S	*	.	H	α-helix	trans	-65.9	-43.6	172.3	-74.7	170.1	-176.5	178	0	111.9	L798 A820 A821 C822 T827 S828	L798-K824 HydrophobicContact CD2-CB 3.98Å; A820-K824 VanDerWaalsContact O-CG 3.29Å; A820-K824 WeakPolarHBondContact O-CG 3.39Å; A820-K824 PolarHBondContact O-N 2.89Å; A820-K824 VanDerWaalsContact O-N 3.16Å; A821-K824 PolarHBondContact O-N 3.13Å; C822-K824 VanDerWaalsContact C-N 3.33Å; C822-K824 PolarHBondContact O-N 2.9Å; K824-T827 PolarHBondContact O-N 3.44Å; K824-S828 PolarHBondContact O-N 3.34Å; K824-S828 VanDerWaalsContact O-N 3.08Å; K824-S828 PolarHBondContact O-OG 3.31Å; K824-S828 VanDerWaalsContact O-OG 3.12Å
825	L	87.7	Confident	86.1	Confident	1 Å²	1	48 Å²	48	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-63.7	-39.5	177.6	-177.3	65.7	0	0	0	112.1	N797 P800 F806 L810 A821 C822 S828 T829	N797-L825 WeakPolarHBondContact O-CD1 3.32Å; P800-L825 HydrophobicContact CG-CD1 4.01Å; F806-L825 HydrophobicContact CD2-CD1 4.33Å; F806-L825 HydrophobicContact CD2-CD2 4.37Å; F806-L825 HydrophobicContact CD2-CG 4.22Å; F806-L825 HydrophobicContact CE2-CD2 4.2Å; F806-L825 HydrophobicContact CE2-CG 3.97Å; L810-L825 HydrophobicContact CB-CD2 4.08Å; A821-L825 PolarHBondContact O-N 3.16Å; C822-L825 WeakPolarHBondContact O-CB 3.32Å; C822-L825 PolarHBondContact O-N 2.95Å; L825-S828 PolarHBondContact O-OG 2.87Å; L825-T829 WeakPolarHBondContact O-CB 3.36Å; L825-T829 PolarHBondContact O-N 3.31Å; L825-T829 PolarHBondContact O-OG1 3.21Å
826	L	87.3	Confident	86.3	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-65.2	-47.3	171.4	-68.3	167.6	0	0	0	110.7	C822 S828 T829 L834 I850 A853 L854 L858 H869	C822-L826 WeakPolarHBondContact O-CG 3.3Å; C822-L826 PolarHBondContact O-N 3.27Å; L826-S828 PolarHBondContact O-N 3.19Å; L826-S828 VanDerWaalsContact O-N 3.1Å; L826-T829 PolarHBondContact O-N 3.48Å; L826-T829 VanDerWaalsContact O-O 3.04Å; L826-L834 HydrophobicContact CD2-CD1 3.92Å; L826-L834 HydrophobicContact CD2-CD2 4.32Å; L826-I850 HydrophobicContact CD1-CG2 4.18Å; L826-A853 HydrophobicContact CD1-CB 4.43Å; L826-L854 HydrophobicContact CD1-CD2 4Å; L826-L854 HydrophobicContact CD1-CG 4.26Å; L826-L858 HydrophobicContact CB-CD1 4.06Å; L826-H869 PolarHBondContact O-CE1 2.94Å; L826-H869 PolarHBondContact O-NE2 3.05Å
827	T	88.4	Confident	86.6	Confident	65 Å²	65	47.2 Å²	47.2	40%	0.399	26%	0.258	S	S	.	.	H	α-helix	trans	-60.1	-24	179.4	-56.7	0	0	0	0	113.8	A823 K824 L858 L865	A823-T827 WeakPolarHBondContact O-CB 3.29Å; A823-T827 PolarHBondContact O-N 3.46Å; A823-T827 PolarHBondContact O-OG1 2.87Å; K824-T827 PolarHBondContact O-N 3.44Å; T827-L858 WeakPolarHBondContact OG1-CD1 3.36Å; T827-L865 HydrophobicContact CG2-CD2 4.45Å
828	S	86.1	Confident	86.6	Confident	51 Å²	51	44.9 Å²	44.9	36%	0.357	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-0.4	177.6	59.9	0	0	0	0	114.8	L798 K824 L825 L826	L798-S828 WeakPolarHBondContact O-CB 3.24Å; L798-S828 PolarHBondContact O-OG 3.27Å; K824-S828 PolarHBondContact O-N 3.34Å; K824-S828 VanDerWaalsContact O-N 3.08Å; K824-S828 PolarHBondContact O-OG 3.31Å; K824-S828 VanDerWaalsContact O-OG 3.12Å; L825-S828 PolarHBondContact O-OG 2.87Å; L826-S828 PolarHBondContact O-N 3.19Å; L826-S828 VanDerWaalsContact O-N 3.1Å
829	T	85.8	Confident	86	Confident	10 Å²	10	42.7 Å²	42.7	6%	0.061	22%	0.224	C	C	.	.	S	Bend	trans	-108.6	133.4	177.6	-57	0	0	0	0	109.5	F806 L825 L826 Y837 H869	F806-T829 HydrophobicContact CD2-CG2 4.18Å; F806-T829 HydrophobicContact CE2-CG2 3.94Å; F806-T829 WeakPolarHBondContact CE2-OG1 3.49Å; L825-T829 WeakPolarHBondContact O-CB 3.36Å; L825-T829 PolarHBondContact O-N 3.31Å; L825-T829 PolarHBondContact O-OG1 3.21Å; L826-T829 PolarHBondContact O-N 3.48Å; L826-T829 VanDerWaalsContact O-O 3.04Å; T829-Y837 HydrophobicContact CG2-CD2 3.95Å; T829-Y837 HydrophobicContact CG2-CE2 3.92Å; T829-H869 PolarHBondContact O-CE1 2.98Å
830	E	86	Confident	85.3	Confident	138 Å²	138	47.6 Å²	47.6	65%	0.645	25%	0.249	S	C	*	.			trans	-69.8	133.7	177.6	-65.1	-178.9	158.5	0	0	110.3	E832 L833	E830-E832 PolarHBondContact O-N 2.82Å; E830-E832 VanDerWaalsContact O-N 3.11Å; E830-L833 HydrophobicContact CB-CD1 4.23Å; E830-L833 HydrophobicContact CB-CG 4.36Å; E830-L833 PolarHBondContact O-N 2.86Å
831	P	85.2	Confident	84.8	Confident	17 Å²	17	49.6 Å²	49.6	11%	0.11	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-54.4	-34.7	-173.9	-29.5	35.4	0	0	0	114.7	L833 L834 L865 R868 Q872	P831-L833 VanDerWaalsContact C-N 3.26Å; P831-L833 PolarHBondContact O-N 3.36Å; P831-L834 VanDerWaalsContact O-CB 3.23Å; P831-L834 WeakPolarHBondContact O-CB 3.28Å; P831-L834 PolarHBondContact O-N 3.47Å; P831-L865 HydrophobicContact CG-CD1 3.71Å; P831-R868 HydrophobicContact CB-CB 4.21Å; P831-R868 HydrophobicContact CG-CB 4.06Å; P831-Q872 HydrophobicContact CB-CB 4.42Å; P831-Q872 HydrophobicContact CB-CG 3.9Å; P831-Q872 VanDerWaalsContact O-CB 3.23Å; P831-Q872 WeakPolarHBondContact O-CB 3.44Å; P831-Q872 WeakPolarHBondContact O-CG 3.31Å
832	E	86.1	Confident	84.7	Confident	148 Å²	148	49.2 Å²	49.2	69%	0.692	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-68	-21.8	-179.2	-63.4	172.8	-151.2	0	0	113.5	E830 P835	E830-E832 PolarHBondContact O-N 2.82Å; E830-E832 VanDerWaalsContact O-N 3.11Å; E832-P835 WeakPolarHBondContact O-CD 3.42Å
833	L	86.4	Confident	84.6	Confident	51 Å²	51	51.5 Å²	51.5	27%	0.267	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-86.8	-20	176.4	-59.6	177.4	0	0	0	112.4	E830 P831 P835 Q836 Y837	E830-L833 HydrophobicContact CB-CD1 4.23Å; E830-L833 HydrophobicContact CB-CG 4.36Å; E830-L833 PolarHBondContact O-N 2.86Å; P831-L833 VanDerWaalsContact C-N 3.26Å; P831-L833 PolarHBondContact O-N 3.36Å; L833-P835 VanDerWaalsContact C-CD 3.45Å; L833-Q836 PolarHBondContact O-N 3.05Å; L833-Y837 HydrophobicContact CB-CD2 4.39Å; L833-Y837 HydrophobicContact CB-CE1 4.33Å; L833-Y837 HydrophobicContact CB-CE2 4.1Å; L833-Y837 PolarHBondContact O-N 3.44Å
834	L	86.1	Confident	84.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-55.7	-40.8	-177.6	-170.9	64.3	0	0	0	113.8	F806 L826 P831 Y837 L838 H869 L873	F806-L834 HydrophobicContact CE1-CD1 4.03Å; F806-L834 HydrophobicContact CE2-CD1 4.26Å; F806-L834 HydrophobicContact CZ-CD1 3.48Å; F806-L834 VanDerWaalsContact CZ-CD1 3.48Å; L826-L834 HydrophobicContact CD2-CD1 3.92Å; L826-L834 HydrophobicContact CD2-CD2 4.32Å; P831-L834 VanDerWaalsContact O-CB 3.23Å; P831-L834 WeakPolarHBondContact O-CB 3.28Å; P831-L834 PolarHBondContact O-N 3.47Å; L834-Y837 PolarHBondContact O-N 2.74Å; L834-L838 HydrophobicContact CD1-CD1 3.66Å; L834-L838 HydrophobicContact CD1-CG 4.18Å; L834-L838 HydrophobicContact CG-CD1 3.81Å; L834-L838 WeakPolarHBondContact O-CB 3.25Å; L834-L838 WeakPolarHBondContact O-CG 3.37Å; L834-L838 PolarHBondContact O-N 3.47Å; L834-L838 VanDerWaalsContact O-N 3.08Å; L834-H869 HydrophobicContact CD2-CB 4.13Å; L834-L873 HydrophobicContact CD2-CB 4.42Å
835	P	86.5	Confident	84.5	Confident	14 Å²	14	50 Å²	50	9%	0.091	26%	0.257	C	S	.	.	H	α-helix	trans	-67.3	-41.3	177.5	-19.4	34.1	0	0	0	112.3	E832 L833 Y837 L838 S839 Q872 T875 A876	E832-P835 WeakPolarHBondContact O-CD 3.42Å; L833-P835 VanDerWaalsContact C-CD 3.45Å; P835-Y837 VanDerWaalsContact C-N 3.33Å; P835-Y837 PolarHBondContact O-N 3.28Å; P835-L838 PolarHBondContact O-N 2.84Å; P835-S839 PolarHBondContact O-N 3.29Å; P835-Q872 HydrophobicContact CG-CB 4.2Å; P835-Q872 WeakPolarHBondContact CG-O 3.43Å; P835-T875 WeakPolarHBondContact CB-OG1 3.29Å; P835-T875 WeakPolarHBondContact CG-OG1 3.3Å; P835-A876 HydrophobicContact CB-CB 4.11Å
836	Q	84.9	Confident	84.5	Confident	133 Å²	133	50.2 Å²	50.2	62%	0.621	26%	0.258	S	S	*	.	H	α-helix	trans	-65.3	-38.2	178.3	-56.6	-175.3	11.4	0	0	111.4	L833	L833-Q836 PolarHBondContact O-N 3.05Å
837	Y	88	Confident	84.6	Confident	31 Å²	31	50.1 Å²	50.1	12%	0.122	26%	0.258	C	S	.	.	H	α-helix	trans	-74.6	-25.7	178.8	-69.4	-1.7	0	0	0	113.3	A803 F806 T829 L833 L834 P835	A803-Y837 HydrophobicContact CB-CD1 3.81Å; A803-Y837 HydrophobicContact CB-CG 4.39Å; F806-Y837 HydrophobicContact CB-CD2 3.62Å; F806-Y837 HydrophobicContact CB-CE2 4.23Å; F806-Y837 HydrophobicContact CB-CG 4.03Å; F806-Y837 HydrophobicContact CD1-CD2 4.2Å; F806-Y837 HydrophobicContact CD1-CG 4.39Å; F806-Y837 AromaticContact CD2-CD2 3.62Å; F806-Y837 HydrophobicContact CD2-CD2 3.62Å; F806-Y837 HydrophobicContact CD2-CE2 4.28Å; F806-Y837 HydrophobicContact CE2-CD2 4.36Å; F806-Y837 AromaticContact CG-CD2 3.54Å; F806-Y837 HydrophobicContact CG-CD2 3.54Å; F806-Y837 HydrophobicContact CG-CE2 4.42Å; F806-Y837 HydrophobicContact CG-CG 4.08Å; T829-Y837 HydrophobicContact CG2-CD2 3.95Å; T829-Y837 HydrophobicContact CG2-CE2 3.92Å; L833-Y837 HydrophobicContact CB-CD2 4.39Å; L833-Y837 HydrophobicContact CB-CE1 4.33Å; L833-Y837 HydrophobicContact CB-CE2 4.1Å; L833-Y837 PolarHBondContact O-N 3.44Å; L834-Y837 PolarHBondContact O-N 2.74Å; P835-Y837 VanDerWaalsContact C-N 3.33Å; P835-Y837 PolarHBondContact O-N 3.28Å
838	L	82.8	Confident	84.6	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-99.7	-22.9	-176.7	-74.3	175.5	0	0	0	115.6	F806 L810 L834 P835 N840 Q841 L842 T846 I850 L873	F806-L838 HydrophobicContact CE1-CD2 3.86Å; F806-L838 HydrophobicContact CE1-CG 4.08Å; L810-L838 HydrophobicContact CD2-CD2 3.57Å; L834-L838 HydrophobicContact CD1-CD1 3.66Å; L834-L838 HydrophobicContact CD1-CG 4.18Å; L834-L838 HydrophobicContact CG-CD1 3.81Å; L834-L838 WeakPolarHBondContact O-CB 3.25Å; L834-L838 WeakPolarHBondContact O-CG 3.37Å; L834-L838 PolarHBondContact O-N 3.47Å; L834-L838 VanDerWaalsContact O-N 3.08Å; P835-L838 PolarHBondContact O-N 2.84Å; L838-N840 PolarHBondContact O-N 2.78Å; L838-Q841 CarbonylContact O-C 3.58Å; L838-Q841 PolarHBondContact O-N 2.83Å; L838-L842 HydrophobicContact CB-CB 4.47Å; L838-L842 HydrophobicContact CB-CD1 4.49Å; L838-L842 HydrophobicContact CD1-CD1 4.23Å; L838-L842 PolarHBondContact O-N 3.18Å; L838-T846 HydrophobicContact CD2-CG2 4.35Å; L838-I850 HydrophobicContact CD1-CD1 3.75Å; L838-I850 HydrophobicContact CD2-CD1 4.33Å; L838-L873 HydrophobicContact CD1-CD1 3.61Å
839	S	75.5	Confident	84.9	Confident	24 Å²	24	45.9 Å²	45.9	17%	0.168	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-39.9	-54.6	-165.8	61.7	0	0	0	0	115.2	P835 D877 R878	P835-S839 PolarHBondContact O-N 3.29Å; S839-D877 WeakPolarHBondContact CB-OD2 3.45Å; S839-R878 WeakPolarHBondContact O-CB 3.35Å
840	N	72.9	Confident	85.1	Confident	133 Å²	133	45.5 Å²	45.5	71%	0.711	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-24.2	-179.5	-78.1	-59	0	0	0	114.6	L838 R878	L838-N840 PolarHBondContact O-N 2.78Å; N840-R878 PolarHBondContact O-NH1 3.1Å
841	Q	75.7	Confident	85.3	Confident	71 Å²	71	39 Å²	39	33%	0.332	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-5.6	-172.8	-60.6	-169.5	40	0	0	114.2	N811 L838 D843	N811-Q841 PolarHBondContact ND2-OE1 3.47Å; N811-Q841 VanDerWaalsContact ND2-OE1 3.15Å; L838-Q841 CarbonylContact O-C 3.58Å; L838-Q841 PolarHBondContact O-N 2.83Å; Q841-D843 PolarHBondContact O-N 3.05Å
842	L	85	Confident	85.5	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	21%	0.205	C	C	.	.			trans	-71.9	111.6	-175.7	-164.6	59	0	0	0	112.2	L838 T846 I847 L873 A876 R878 F879 A882	L838-L842 HydrophobicContact CB-CB 4.47Å; L838-L842 HydrophobicContact CB-CD1 4.49Å; L838-L842 HydrophobicContact CD1-CD1 4.23Å; L838-L842 PolarHBondContact O-N 3.18Å; L842-T846 HydrophobicContact CD1-CG2 4.19Å; L842-I847 HydrophobicContact CD1-CD1 4.31Å; L842-I847 HydrophobicContact CD1-CG1 3.59Å; L842-I847 HydrophobicContact CD2-CD1 4.31Å; L842-I847 HydrophobicContact CD2-CG1 4.43Å; L842-I847 HydrophobicContact CG-CD1 4.22Å; L842-I847 HydrophobicContact CG-CG1 4.03Å; L842-L873 HydrophobicContact CD1-CD1 4.22Å; L842-L873 HydrophobicContact CD2-CD1 4.12Å; L842-A876 HydrophobicContact CD2-CB 3.94Å; L842-R878 HydrophobicContact CB-CB 4.4Å; L842-F879 HydrophobicContact CD2-CB 4.07Å; L842-F879 HydrophobicContact CD2-CD2 4.35Å; L842-A882 HydrophobicContact CG-CB 4.13Å
843	D	85.9	Confident	85.7	Confident	48 Å²	48	34.6 Å²	34.6	26%	0.257	17%	0.172	S	C	.	.			trans	-118	168.3	170.3	66.8	31.4	0	0	0	111	R814 Q841 H845 T846 I847	R814-D843 IonicContact CZ-OD2 3.93Å; R814-D843 VanDerWaalsContact NH1-CG 3.33Å; R814-D843 IonicContact NH1-OD1 3.68Å; R814-D843 PolarHBondContact NH1-OD1 2.85Å; R814-D843 IonicContact NH1-OD2 2.73Å; R814-D843 PolarHBondContact NH1-OD2 2.9Å; R814-D843 IonicContact NH2-OD2 2.8Å; R814-D843 PolarHBondContact NH2-OD2 3.01Å; Q841-D843 PolarHBondContact O-N 3.05Å; D843-H845 PolarHBondContact O-N 3.48Å; D843-H845 PolarHBondContact OD1-N 3.38Å; D843-T846 VanDerWaalsContact CG-OG1 3.31Å; D843-T846 WeakPolarHBondContact O-CB 3.39Å; D843-T846 PolarHBondContact O-N 3.38Å; D843-T846 VanDerWaalsContact O-N 3.14Å; D843-T846 WeakPolarHBondContact OD1-CA 3.21Å; D843-T846 WeakPolarHBondContact OD1-CB 3.34Å; D843-T846 PolarHBondContact OD1-N 3.09Å; D843-T846 PolarHBondContact OD1-OG1 3.35Å; D843-I847 PolarHBondContact O-N 3.25Å; D843-I847 VanDerWaalsContact O-N 3.09Å
844	G	85.3	Confident	85.8	Confident	3 Å²	3	32.1 Å²	32.1	3%	0.031	16%	0.159	C	C	.	.	H	α-helix	trans	-58.3	-44.3	-177.7	0	0	0	0	0	112.9	T846 I847 S848 A882 L886	G844-T846 VanDerWaalsContact C-N 3.27Å; G844-T846 PolarHBondContact O-N 2.89Å; G844-I847 PolarHBondContact O-N 2.98Å; G844-S848 WeakPolarHBondContact O-CB 3.35Å; G844-S848 PolarHBondContact O-N 3.17Å; G844-A882 WeakPolarHBondContact CA-O 3.38Å; G844-L886 VanDerWaalsContact O-CD2 3.23Å; G844-L886 WeakPolarHBondContact O-CD2 3.26Å
845	H	85.9	Confident	85.9	Confident	108 Å²	108	32.9 Å²	32.9	50%	0.5	16%	0.163	S	C	.	.	H	α-helix	trans	-66.9	-26	177.9	-57.6	-43.2	0	0	0	113.2	D843 F849 E890	D843-H845 PolarHBondContact O-N 3.48Å; D843-H845 PolarHBondContact OD1-N 3.38Å; H845-F849 VanDerWaalsContact O-CB 3.24Å; H845-F849 WeakPolarHBondContact O-CB 3.43Å; H845-F849 PolarHBondContact O-N 3.27Å; H845-E890 IonicContact ND1-OE1 2.62Å; H845-E890 PolarHBondContact ND1-OE1 2.99Å; H845-E890 IonicContact ND1-OE2 2.77Å
846	T	88.8	Confident	85.9	Confident	4 Å²	4	34.2 Å²	34.2	3%	0.025	17%	0.173	C	C	.	.	H	α-helix	trans	-73.1	-42.4	173.3	-59.1	0	0	0	0	110.8	L810 R814 L838 L842 D843 G844 F849 I850	L810-T846 HydrophobicContact CD2-CG2 3.85Å; R814-T846 PolarHBondContact NH1-OG1 2.83Å; L838-T846 HydrophobicContact CD2-CG2 4.35Å; L842-T846 HydrophobicContact CD1-CG2 4.19Å; D843-T846 VanDerWaalsContact CG-OG1 3.31Å; D843-T846 WeakPolarHBondContact O-CB 3.39Å; D843-T846 PolarHBondContact O-N 3.38Å; D843-T846 VanDerWaalsContact O-N 3.14Å; D843-T846 WeakPolarHBondContact OD1-CA 3.21Å; D843-T846 WeakPolarHBondContact OD1-CB 3.34Å; D843-T846 PolarHBondContact OD1-N 3.09Å; D843-T846 PolarHBondContact OD1-OG1 3.35Å; G844-T846 VanDerWaalsContact C-N 3.27Å; G844-T846 PolarHBondContact O-N 2.89Å; T846-F849 PolarHBondContact O-N 3.27Å; T846-I850 HydrophobicContact CG2-CD1 3.9Å; T846-I850 HydrophobicContact CG2-CG1 4.48Å; T846-I850 WeakPolarHBondContact O-CB 3.21Å; T846-I850 VanDerWaalsContact O-CG1 3.29Å; T846-I850 WeakPolarHBondContact O-CG1 3.3Å; T846-I850 PolarHBondContact O-N 3.06Å
847	I	89	Confident	85.9	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.8	-51.1	170.1	-66.4	-179.4	0	0	0	109.5	L842 D843 G844 F849 I850 V851 F879 A882 L883 L886	L842-I847 HydrophobicContact CD1-CD1 4.31Å; L842-I847 HydrophobicContact CD1-CG1 3.59Å; L842-I847 HydrophobicContact CD2-CD1 4.31Å; L842-I847 HydrophobicContact CD2-CG1 4.43Å; L842-I847 HydrophobicContact CG-CD1 4.22Å; L842-I847 HydrophobicContact CG-CG1 4.03Å; D843-I847 PolarHBondContact O-N 3.25Å; D843-I847 VanDerWaalsContact O-N 3.09Å; G844-I847 PolarHBondContact O-N 2.98Å; I847-F849 VanDerWaalsContact C-N 3.31Å; I847-F849 PolarHBondContact O-N 2.89Å; I847-I850 PolarHBondContact O-N 3.13Å; I847-V851 HydrophobicContact CG2-CG2 4.14Å; I847-V851 VanDerWaalsContact O-CB 3.3Å; I847-V851 WeakPolarHBondContact O-CB 3.37Å; I847-V851 WeakPolarHBondContact O-CG2 3.5Å; I847-V851 PolarHBondContact O-N 2.81Å; I847-F879 HydrophobicContact CD1-CD2 3.77Å; I847-F879 HydrophobicContact CD1-CE2 4.01Å; I847-A882 HydrophobicContact CD1-CB 3.48Å; I847-A882 VanDerWaalsContact CD1-CB 3.48Å; I847-A882 HydrophobicContact CG1-CB 4.28Å; I847-L883 HydrophobicContact CD1-CD2 4.25Å; I847-L886 HydrophobicContact CB-CD2 4.49Å; I847-L886 HydrophobicContact CG2-CD1 4.34Å
848	S	89.6	Confident	85.6	Confident	5 Å²	5	30.4 Å²	30.4	4%	0.035	16%	0.156	C	C	.	.	H	α-helix	trans	-52.9	-43.8	176.2	179.1	0	0	0	0	112.7	G844 K852 E890	G844-S848 WeakPolarHBondContact O-CB 3.35Å; G844-S848 PolarHBondContact O-N 3.17Å; S848-K852 WeakPolarHBondContact O-CB 3.37Å; S848-K852 WeakPolarHBondContact O-CD 3.42Å; S848-K852 WeakPolarHBondContact O-CG 3.39Å; S848-K852 PolarHBondContact O-N 2.83Å; S848-K852 PolarHBondContact OG-NZ 3.21Å; S848-E890 WeakPolarHBondContact CB-OE1 3.4Å; S848-E890 PolarHBondContact OG-OE1 2.91Å
849	F	90.8	Very high	85.7	Confident	22 Å²	22	30.7 Å²	30.7	10%	0.096	16%	0.157	C	C	.	.	H	α-helix	trans	-73.9	-37.9	179.1	-173.2	-108.9	0	0	0	113.6	L810 S813 R814 T819 C822 H845 T846 I847 K852 A853	L810-F849 HydrophobicContact CD1-CD1 4.45Å; S813-F849 VanDerWaalsContact O-CZ 3.31Å; S813-F849 WeakPolarHBondContact O-CZ 3.45Å; R814-F849 HydrophobicContact CB-CD1 4Å; R814-F849 HydrophobicContact CB-CE1 3.98Å; R814-F849 HydrophobicContact CB-CG 4.48Å; R814-F849 HydrophobicContact CB-CZ 4.47Å; R814-F849 HydrophobicContact CG-CD1 4.31Å; R814-F849 HydrophobicContact CG-CG 4.33Å; T819-F849 HydrophobicContact CG2-CD2 4.41Å; T819-F849 HydrophobicContact CG2-CE2 3.85Å; T819-F849 HydrophobicContact CG2-CZ 4.4Å; C822-F849 HydrophobicContact CB-CD1 4.41Å; C822-F849 HydrophobicContact CB-CE1 3.63Å; C822-F849 HydrophobicContact CB-CZ 4.11Å; H845-F849 VanDerWaalsContact O-CB 3.24Å; H845-F849 WeakPolarHBondContact O-CB 3.43Å; H845-F849 PolarHBondContact O-N 3.27Å; T846-F849 PolarHBondContact O-N 3.27Å; I847-F849 VanDerWaalsContact C-N 3.31Å; I847-F849 PolarHBondContact O-N 2.89Å; F849-K852 PolarHBondContact O-N 3.1Å; F849-A853 PolarHBondContact O-N 3.15Å
850	I	90.5	Very high	86	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-64.1	-47.2	172.9	-71.2	168.3	0	0	0	110	L810 L826 L838 T846 I847 K852 A853 L854 L873	L810-I850 HydrophobicContact CD1-CG1 4.38Å; L810-I850 HydrophobicContact CD2-CD1 4.26Å; L826-I850 HydrophobicContact CD1-CG2 4.18Å; L838-I850 HydrophobicContact CD1-CD1 3.75Å; L838-I850 HydrophobicContact CD2-CD1 4.33Å; T846-I850 HydrophobicContact CG2-CD1 3.9Å; T846-I850 HydrophobicContact CG2-CG1 4.48Å; T846-I850 WeakPolarHBondContact O-CB 3.21Å; T846-I850 VanDerWaalsContact O-CG1 3.29Å; T846-I850 WeakPolarHBondContact O-CG1 3.3Å; T846-I850 PolarHBondContact O-N 3.06Å; I847-I850 PolarHBondContact O-N 3.13Å; I850-K852 VanDerWaalsContact C-N 3.32Å; I850-K852 PolarHBondContact O-N 3.03Å; I850-A853 PolarHBondContact O-N 2.69Å; I850-A853 VanDerWaalsContact O-N 3.08Å; I850-L854 HydrophobicContact CG2-CD1 3.99Å; I850-L854 HydrophobicContact CG2-CG 4.34Å; I850-L854 WeakPolarHBondContact O-CG 3.44Å; I850-L854 PolarHBondContact O-N 3.27Å; I850-L873 HydrophobicContact CG2-CD2 4.21Å
851	V	90.3	Very high	86.5	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-56.5	-44.4	175.9	164.6	0	0	0	0	110.9	I847 L854 D855 Y893 V894 L897	I847-V851 HydrophobicContact CG2-CG2 4.14Å; I847-V851 VanDerWaalsContact O-CB 3.3Å; I847-V851 WeakPolarHBondContact O-CB 3.37Å; I847-V851 WeakPolarHBondContact O-CG2 3.5Å; I847-V851 PolarHBondContact O-N 2.81Å; V851-L854 PolarHBondContact O-N 3.16Å; V851-D855 WeakPolarHBondContact O-CB 3.48Å; V851-D855 PolarHBondContact O-N 3.32Å; V851-Y893 HydrophobicContact CG1-CD1 3.8Å; V851-Y893 HydrophobicContact CG1-CE1 3.9Å; V851-V894 HydrophobicContact CG1-CG2 4.01Å; V851-V894 HydrophobicContact CG2-CG2 4.23Å; V851-L897 HydrophobicContact CB-CD2 4.33Å; V851-L897 HydrophobicContact CG1-CB 4.36Å; V851-L897 HydrophobicContact CG1-CD2 3.74Å; V851-L897 HydrophobicContact CG2-CD2 4.4Å
852	K	89.7	Confident	86.9	Confident	73 Å²	73	38.2 Å²	38.2	32%	0.317	18%	0.182	S	C	.	.	H	α-helix	trans	-62	-40.5	173.4	-74.3	161.7	-177	154.8	0	113.1	T819 S848 F849 I850 S856 Y893	T819-K852 HydrophobicContact CG2-CB 4.32Å; S848-K852 WeakPolarHBondContact O-CB 3.37Å; S848-K852 WeakPolarHBondContact O-CD 3.42Å; S848-K852 WeakPolarHBondContact O-CG 3.39Å; S848-K852 PolarHBondContact O-N 2.83Å; S848-K852 PolarHBondContact OG-NZ 3.21Å; F849-K852 PolarHBondContact O-N 3.1Å; I850-K852 VanDerWaalsContact C-N 3.32Å; I850-K852 PolarHBondContact O-N 3.03Å; K852-S856 WeakPolarHBondContact O-CB 3.5Å; K852-S856 PolarHBondContact O-N 3.41Å; K852-S856 VanDerWaalsContact O-N 3.07Å; K852-S856 PolarHBondContact O-OG 2.88Å; K852-Y893 HydrophobicContact CB-CE1 4.08Å; K852-Y893 HydrophobicContact CD-CE1 4.46Å; K852-Y893 HydrophobicContact CG-CD1 3.86Å; K852-Y893 HydrophobicContact CG-CE1 3.26Å
853	A	90.3	Very high	87	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-69.7	-34.8	177.1	0	0	0	0	0	113	C822 A823 L826 F849 I850 H857	C822-A853 HydrophobicContact CB-CB 3.69Å; C822-A853 VanDerWaalsContact SG-CB 3.59Å; A823-A853 HydrophobicContact CB-CB 4.45Å; L826-A853 HydrophobicContact CD1-CB 4.43Å; F849-A853 PolarHBondContact O-N 3.15Å; I850-A853 PolarHBondContact O-N 2.69Å; I850-A853 VanDerWaalsContact O-N 3.08Å; A853-H857 PolarHBondContact O-N 3.31Å
854	L	89	Confident	87	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.189	C	C	.	.	I	π-helix	trans	-67	-52.8	174	-69.2	174.8	0	0	0	111.1	L826 I850 V851 S856 L858 L859 A866 H869 L870 L897	L826-L854 HydrophobicContact CD1-CD2 4Å; L826-L854 HydrophobicContact CD1-CG 4.26Å; I850-L854 HydrophobicContact CG2-CD1 3.99Å; I850-L854 HydrophobicContact CG2-CG 4.34Å; I850-L854 WeakPolarHBondContact O-CG 3.44Å; I850-L854 PolarHBondContact O-N 3.27Å; V851-L854 PolarHBondContact O-N 3.16Å; L854-S856 PolarHBondContact O-N 3Å; L854-L858 HydrophobicContact CD2-CB 4.1Å; L854-L858 HydrophobicContact CD2-CD1 4.04Å; L854-L858 HydrophobicContact CD2-CD2 4.17Å; L854-L858 HydrophobicContact CD2-CG 4.32Å; L854-L858 CarbonylContact O-C 3.42Å; L854-L858 WeakPolarHBondContact O-CA 3.45Å; L854-L858 PolarHBondContact O-N 2.82Å; L854-L859 PolarHBondContact O-N 3.49Å; L854-A866 HydrophobicContact CD2-CB 4.2Å; L854-H869 HydrophobicContact CD1-CB 4.45Å; L854-H869 HydrophobicContact CD2-CB 4.31Å; L854-L870 HydrophobicContact CD1-CD2 3.8Å; L854-L870 HydrophobicContact CD1-CG 3.93Å; L854-L897 HydrophobicContact CB-CD2 4.43Å
855	D	88.3	Confident	87.2	Confident	16 Å²	16	40.1 Å²	40.1	9%	0.086	19%	0.193	C	C	.	.	I	π-helix	trans	-60.7	-44.2	-178.8	-177.1	61.9	0	0	0	113.7	V851 Y893 L897 R900	V851-D855 WeakPolarHBondContact O-CB 3.48Å; V851-D855 PolarHBondContact O-N 3.32Å; D855-Y893 HydrophobicContact CB-CE1 4.35Å; D855-Y893 VanDerWaalsContact CB-OH 3.29Å; D855-Y893 WeakPolarHBondContact CB-OH 3.39Å; D855-Y893 VanDerWaalsContact CG-OH 3.29Å; D855-Y893 PolarHBondContact OD2-OH 2.94Å; D855-L897 HydrophobicContact CB-CD1 3.95Å; D855-R900 PolarHBondContact O-NH1 3.02Å; D855-R900 WeakPolarHBondContact OD1-CD 3.35Å; D855-R900 IonicContact OD1-CZ 2.69Å; D855-R900 IonicContact OD1-NE 2.69Å; D855-R900 IonicContact OD1-NH1 2.94Å; D855-R900 PolarHBondContact OD1-NH1 3.48Å; D855-R900 IonicContact OD2-NH1 3.21Å; D855-R900 PolarHBondContact OD2-NH1 3Å
856	S	85.5	Confident	87.3	Confident	42 Å²	42	35 Å²	35	29%	0.294	17%	0.169	S	C	.	.	I	π-helix	trans	-86.1	-18	-171.9	60.7	0	0	0	0	115.7	K852 L854	K852-S856 WeakPolarHBondContact O-CB 3.5Å; K852-S856 PolarHBondContact O-N 3.41Å; K852-S856 VanDerWaalsContact O-N 3.07Å; K852-S856 PolarHBondContact O-OG 2.88Å; L854-S856 PolarHBondContact O-N 3Å
857	H	84.3	Confident	87.4	Confident	80 Å²	80	36.3 Å²	36.3	37%	0.37	17%	0.174	S	C	.	.	I	π-helix	trans	-138	-22.5	-174	-69.3	-70.3	0	0	0	116	T819 A823 A853 K861	T819-H857 PolarHBondContact OG1-NE2 3.4Å; A823-H857 HydrophobicContact CB-CB 3.53Å; A853-H857 PolarHBondContact O-N 3.31Å; H857-K861 WeakPolarHBondContact O-CD 3.34Å; H857-K861 PolarHBondContact O-NZ 2.87Å
858	L	83	Confident	87.4	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.016	19%	0.192	C	C	.	.	I	π-helix	trans	-109.2	-37.7	-168.2	-142	143.1	0	0	0	111.9	A823 L826 T827 L854 E860 K861 K862 L865 A866	A823-L858 HydrophobicContact CB-CD1 4.39Å; L826-L858 HydrophobicContact CB-CD1 4.06Å; T827-L858 WeakPolarHBondContact OG1-CD1 3.36Å; L854-L858 HydrophobicContact CD2-CB 4.1Å; L854-L858 HydrophobicContact CD2-CD1 4.04Å; L854-L858 HydrophobicContact CD2-CD2 4.17Å; L854-L858 HydrophobicContact CD2-CG 4.32Å; L854-L858 CarbonylContact O-C 3.42Å; L854-L858 WeakPolarHBondContact O-CA 3.45Å; L854-L858 PolarHBondContact O-N 2.82Å; L858-E860 VanDerWaalsContact C-N 3.35Å; L858-E860 PolarHBondContact O-N 3.32Å; L858-K861 PolarHBondContact O-N 3.01Å; L858-K861 VanDerWaalsContact O-N 3.16Å; L858-K862 HydrophobicContact CD2-CB 4.3Å; L858-K862 CarbonylContact O-C 3.56Å; L858-K862 PolarHBondContact O-N 3.46Å; L858-L865 HydrophobicContact CD2-CB 4.01Å; L858-L865 HydrophobicContact CD2-CD2 4.28Å; L858-L865 HydrophobicContact CD2-CG 4.08Å; L858-A866 HydrophobicContact CD2-CB 3.86Å
859	L	84.4	Confident	87.4	Confident	9 Å²	9	41 Å²	41	5%	0.047	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-48.8	174	-168.1	92.3	0	0	0	112.2	L854 K861 P863 L897 R900 L901	L854-L859 PolarHBondContact O-N 3.49Å; L859-K861 VanDerWaalsContact C-N 3.26Å; L859-K861 PolarHBondContact O-N 3.06Å; L859-P863 WeakPolarHBondContact O-CD 3.33Å; L859-L897 HydrophobicContact CD1-CD1 3.89Å; L859-R900 HydrophobicContact CD2-CB 3.98Å; L859-L901 HydrophobicContact CD1-CB 4.09Å; L859-L901 HydrophobicContact CD1-CD1 3.71Å; L859-L901 HydrophobicContact CD1-CG 4.48Å
860	E	81.3	Confident	87.4	Confident	139 Å²	139	40 Å²	40	65%	0.65	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-10.5	-176.4	-61	-177.4	175.2	0	0	114.1	L858 R900	L858-E860 VanDerWaalsContact C-N 3.35Å; L858-E860 PolarHBondContact O-N 3.32Å; E860-R900 IonicContact OE1-NH2 2.64Å; E860-R900 PolarHBondContact OE1-NH2 2.67Å
861	K	83.4	Confident	87.4	Confident	145 Å²	145	42 Å²	42	63%	0.63	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.6	-32.9	-173.6	-64.7	-177.5	-171.1	126.5	0	114	H857 L858 L859	H857-K861 WeakPolarHBondContact O-CD 3.34Å; H857-K861 PolarHBondContact O-NZ 2.87Å; L858-K861 PolarHBondContact O-N 3.01Å; L858-K861 VanDerWaalsContact O-N 3.16Å; L859-K861 VanDerWaalsContact C-N 3.26Å; L859-K861 PolarHBondContact O-N 3.06Å
862	K	85.4	Confident	87.4	Confident	101 Å²	101	44.5 Å²	44.5	44%	0.439	21%	0.209	S	C	.	.			trans	-154.3	72	-178.1	-66.4	-170.6	176.2	-176.2	0	109.5	L858 D864 L865 A866	L858-K862 HydrophobicContact CD2-CB 4.3Å; L858-K862 CarbonylContact O-C 3.56Å; L858-K862 PolarHBondContact O-N 3.46Å; K862-D864 PolarHBondContact O-N 2.98Å; K862-L865 HydrophobicContact CB-CB 3.82Å; K862-L865 HydrophobicContact CD-CB 4.3Å; K862-L865 HydrophobicContact CD-CD2 3.71Å; K862-L865 PolarHBondContact O-N 3.24Å; K862-L865 VanDerWaalsContact O-N 3.15Å; K862-A866 PolarHBondContact O-N 2.96Å
863	P	86	Confident	87.3	Confident	25 Å²	25	41 Å²	41	16%	0.162	19%	0.193	C	C	.	.	H	α-helix	trans	-57.9	-36	-178.6	24.9	-34.7	0	0	0	112.1	L859 L865 A866 Y867 V904 F909	L859-P863 WeakPolarHBondContact O-CD 3.33Å; P863-L865 PolarHBondContact O-N 3Å; P863-A866 WeakPolarHBondContact O-CB 3.38Å; P863-A866 PolarHBondContact O-N 3Å; P863-Y867 PolarHBondContact O-N 3.08Å; P863-V904 HydrophobicContact CB-CG1 3.75Å; P863-V904 HydrophobicContact CG-CG1 3.84Å; P863-F909 HydrophobicContact CB-CZ 4.41Å
864	D	87.3	Confident	87.2	Confident	48 Å²	48	43.2 Å²	43.2	26%	0.257	20%	0.204	S	C	.	.	H	α-helix	trans	-63.1	-40.1	179.2	-34.3	-57	0	0	0	112.2	K862 Y867 R868 S906 E908	K862-D864 PolarHBondContact O-N 2.98Å; D864-Y867 PolarHBondContact O-N 3.28Å; D864-R868 PolarHBondContact O-N 2.94Å; D864-S906 WeakPolarHBondContact OD1-CB 3.48Å; D864-S906 PolarHBondContact OD1-OG 2.86Å; D864-E908 HydrophobicContact CB-CB 4.22Å; D864-E908 HydrophobicContact CB-CG 4.16Å; D864-E908 WeakPolarHBondContact CB-OE2 3.44Å
865	L	87.9	Confident	87.2	Confident	21 Å²	21	46.6 Å²	46.6	11%	0.11	22%	0.224	C	C	.	.	H	α-helix	trans	-72.1	-35.2	175.6	-173.7	59.4	0	0	0	111.4	T827 P831 L858 K862 P863 R868 H869	T827-L865 HydrophobicContact CG2-CD2 4.45Å; P831-L865 HydrophobicContact CG-CD1 3.71Å; L858-L865 HydrophobicContact CD2-CB 4.01Å; L858-L865 HydrophobicContact CD2-CD2 4.28Å; L858-L865 HydrophobicContact CD2-CG 4.08Å; K862-L865 HydrophobicContact CB-CB 3.82Å; K862-L865 HydrophobicContact CD-CB 4.3Å; K862-L865 HydrophobicContact CD-CD2 3.71Å; K862-L865 PolarHBondContact O-N 3.24Å; K862-L865 VanDerWaalsContact O-N 3.15Å; P863-L865 PolarHBondContact O-N 3Å; L865-R868 PolarHBondContact O-N 3.43Å; L865-H869 PolarHBondContact O-CD2 2.96Å; L865-H869 PolarHBondContact O-N 3.42Å
866	A	88.2	Confident	87.2	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-44.3	173.3	0	0	0	0	0	111.6	L854 L858 K862 P863 H869 L870	L854-A866 HydrophobicContact CD2-CB 4.2Å; L858-A866 HydrophobicContact CD2-CB 3.86Å; K862-A866 PolarHBondContact O-N 2.96Å; P863-A866 WeakPolarHBondContact O-CB 3.38Å; P863-A866 PolarHBondContact O-N 3Å; A866-H869 PolarHBondContact O-N 3.49Å; A866-L870 WeakPolarHBondContact O-CG 3.29Å; A866-L870 PolarHBondContact O-N 3.15Å; A866-L870 VanDerWaalsContact O-N 3.1Å
867	Y	90.6	Very high	87	Confident	31 Å²	31	50.2 Å²	50.2	12%	0.122	24%	0.241	C	C	.	.	H	α-helix	trans	-58.5	-49.3	172.6	176.3	-93.5	0	0	0	111.4	P863 D864 H869 L870 D871 L901 F909 V914 L917	P863-Y867 PolarHBondContact O-N 3.08Å; D864-Y867 PolarHBondContact O-N 3.28Å; Y867-H869 PolarHBondContact O-N 3.23Å; Y867-L870 PolarHBondContact O-N 3.42Å; Y867-L870 VanDerWaalsContact O-N 3.08Å; Y867-D871 HydrophobicContact CE1-CB 4.44Å; Y867-D871 PolarHBondContact O-N 3.13Å; Y867-L901 HydrophobicContact CD2-CD2 4.19Å; Y867-F909 VanDerWaalsContact CB-CD1 3.5Å; Y867-F909 HydrophobicContact CD1-CB 3.9Å; Y867-F909 AromaticContact CD1-CD1 3.84Å; Y867-F909 HydrophobicContact CD1-CD1 3.84Å; Y867-F909 HydrophobicContact CD1-CG 4.15Å; Y867-F909 HydrophobicContact CD2-CB 3.9Å; Y867-F909 AromaticContact CD2-CD1 3.92Å; Y867-F909 HydrophobicContact CD2-CD1 3.92Å; Y867-F909 HydrophobicContact CD2-CD2 4.29Å; Y867-F909 AromaticContact CD2-CG 3.78Å; Y867-F909 HydrophobicContact CD2-CG 3.78Å; Y867-F909 HydrophobicContact CE1-CB 3.82Å; Y867-F909 HydrophobicContact CE2-CB 3.83Å; Y867-F909 HydrophobicContact CE2-CG 4.2Å; Y867-F909 HydrophobicContact CG-CB 3.96Å; Y867-F909 AromaticContact CG-CD1 3.46Å; Y867-F909 HydrophobicContact CG-CD1 3.46Å; Y867-F909 VanDerWaalsContact CG-CD1 3.46Å; Y867-F909 HydrophobicContact CG-CE1 4.08Å; Y867-F909 AromaticContact CG-CG 3.78Å; Y867-F909 HydrophobicContact CG-CG 3.78Å; Y867-V914 HydrophobicContact CD2-CG2 4.13Å; Y867-V914 HydrophobicContact CE2-CG2 4.17Å; Y867-L917 HydrophobicContact CD2-CD2 3.85Å; Y867-L917 HydrophobicContact CE2-CB 4.49Å; Y867-L917 HydrophobicContact CE2-CD2 3.56Å
868	R	89.6	Confident	87.1	Confident	103 Å²	103	52.3 Å²	52.3	39%	0.389	25%	0.246	S	C	.	.	H	α-helix	trans	-62	-37.5	177.9	-82.4	-171.6	-89.4	151.5	-15.2	113.8	P831 D864 L865 L870 Q872 E908	P831-R868 HydrophobicContact CB-CB 4.21Å; P831-R868 HydrophobicContact CG-CB 4.06Å; D864-R868 PolarHBondContact O-N 2.94Å; L865-R868 PolarHBondContact O-N 3.43Å; R868-L870 VanDerWaalsContact C-N 3.33Å; R868-Q872 WeakPolarHBondContact O-CB 3.41Å; R868-Q872 WeakPolarHBondContact O-CG 3.46Å; R868-Q872 PolarHBondContact O-N 2.95Å; R868-E908 IonicContact CZ-OE1 3.7Å; R868-E908 IonicContact CZ-OE2 3.87Å; R868-E908 IonicContact NE-OE1 2.71Å; R868-E908 IonicContact NE-OE2 2.8Å; R868-E908 PolarHBondContact NE-OE2 3.01Å; R868-E908 VanDerWaalsContact NH2-CD 3.25Å; R868-E908 IonicContact NH2-OE1 2.94Å; R868-E908 PolarHBondContact NH2-OE1 2.95Å; R868-E908 IonicContact NH2-OE2 3.61Å; R868-E908 PolarHBondContact NH2-OE2 3.38Å
869	H	90.3	Very high	87.4	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.6	-35.2	172.9	-73.3	-57	0	0	0	112.5	L826 T829 L834 L854 L865 A866 Y867 L873	L826-H869 PolarHBondContact O-CE1 2.94Å; L826-H869 PolarHBondContact O-NE2 3.05Å; T829-H869 PolarHBondContact O-CE1 2.98Å; L834-H869 HydrophobicContact CD2-CB 4.13Å; L854-H869 HydrophobicContact CD1-CB 4.45Å; L854-H869 HydrophobicContact CD2-CB 4.31Å; L865-H869 PolarHBondContact O-CD2 2.96Å; L865-H869 PolarHBondContact O-N 3.42Å; A866-H869 PolarHBondContact O-N 3.49Å; Y867-H869 PolarHBondContact O-N 3.23Å; H869-L873 WeakPolarHBondContact O-CB 3.43Å; H869-L873 PolarHBondContact O-N 2.88Å
870	L	90.2	Very high	87.5	Confident	1 Å²	1	62 Å²	62	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-71.5	-42.4	175.5	-67.9	167.3	0	0	0	112.2	L854 A866 Y867 R868 Q872 L873 L897 F898 L901 L917 Y921	L854-L870 HydrophobicContact CD1-CD2 3.8Å; L854-L870 HydrophobicContact CD1-CG 3.93Å; A866-L870 WeakPolarHBondContact O-CG 3.29Å; A866-L870 PolarHBondContact O-N 3.15Å; A866-L870 VanDerWaalsContact O-N 3.1Å; Y867-L870 PolarHBondContact O-N 3.42Å; Y867-L870 VanDerWaalsContact O-N 3.08Å; R868-L870 VanDerWaalsContact C-N 3.33Å; L870-Q872 VanDerWaalsContact C-N 3.31Å; L870-Q872 PolarHBondContact O-N 3.35Å; L870-L873 PolarHBondContact O-N 3.37Å; L870-L897 HydrophobicContact CD1-CD2 4.1Å; L870-L897 HydrophobicContact CD2-CD2 4.31Å; L870-F898 HydrophobicContact CD1-CE1 4.09Å; L870-F898 HydrophobicContact CD1-CZ 4.28Å; L870-F898 HydrophobicContact CD2-CZ 4.49Å; L870-L901 HydrophobicContact CD1-CD2 3.9Å; L870-L917 HydrophobicContact CB-CD2 3.83Å; L870-Y921 HydrophobicContact CD2-CE1 4.29Å; L870-Y921 PolarHBondContact O-OH 3.38Å
871	D	90.6	Very high	87.7	Confident	42 Å²	42	59.2 Å²	59.2	23%	0.225	27%	0.274	C	S	.	.	H	α-helix	trans	-72	-23.4	177.3	-167.3	57.7	0	0	0	113.2	Y867 H874 L917 K920	Y867-D871 HydrophobicContact CE1-CB 4.44Å; Y867-D871 PolarHBondContact O-N 3.13Å; D871-H874 PolarHBondContact O-CD2 3.23Å; D871-H874 PolarHBondContact O-NE2 3.39Å; D871-H874 IonicContact OD1-CD2 3.7Å; D871-H874 PolarHBondContact OD1-CD2 3.4Å; D871-H874 IonicContact OD1-CE1 2.7Å; D871-H874 IonicContact OD1-NE2 3.22Å; D871-H874 PolarHBondContact OD1-NE2 3.13Å; D871-L917 HydrophobicContact CB-CD1 4.2Å; D871-L917 HydrophobicContact CB-CD2 4.09Å; D871-K920 IonicContact OD1-NZ 2.68Å; D871-K920 PolarHBondContact OD1-NZ 2.73Å
872	Q	89.5	Confident	87.8	Confident	54 Å²	54	52.3 Å²	52.3	25%	0.252	24%	0.244	S	C	.	.	H	α-helix	trans	-79.8	-39.4	168.2	-66.6	-59.3	-48.2	0	0	112	P831 P835 R868 L870 H874 T875	P831-Q872 HydrophobicContact CB-CB 4.42Å; P831-Q872 HydrophobicContact CB-CG 3.9Å; P831-Q872 VanDerWaalsContact O-CB 3.23Å; P831-Q872 WeakPolarHBondContact O-CB 3.44Å; P831-Q872 WeakPolarHBondContact O-CG 3.31Å; P835-Q872 HydrophobicContact CG-CB 4.2Å; P835-Q872 WeakPolarHBondContact CG-O 3.43Å; R868-Q872 WeakPolarHBondContact O-CB 3.41Å; R868-Q872 WeakPolarHBondContact O-CG 3.46Å; R868-Q872 PolarHBondContact O-N 2.95Å; L870-Q872 VanDerWaalsContact C-N 3.31Å; L870-Q872 PolarHBondContact O-N 3.35Å; Q872-H874 VanDerWaalsContact C-N 3.29Å; Q872-H874 PolarHBondContact O-N 3.15Å; Q872-T875 WeakPolarHBondContact O-CB 3.4Å; Q872-T875 PolarHBondContact O-N 2.95Å; Q872-T875 PolarHBondContact O-OG1 3.44Å
873	L	89.3	Confident	87.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.3	-27.9	-174.6	177.2	63.1	0	0	0	114.5	L834 L838 L842 I850 H869 L870 T875 A876 F879 Y921	L834-L873 HydrophobicContact CD2-CB 4.42Å; L838-L873 HydrophobicContact CD1-CD1 3.61Å; L842-L873 HydrophobicContact CD1-CD1 4.22Å; L842-L873 HydrophobicContact CD2-CD1 4.12Å; I850-L873 HydrophobicContact CG2-CD2 4.21Å; H869-L873 WeakPolarHBondContact O-CB 3.43Å; H869-L873 PolarHBondContact O-N 2.88Å; L870-L873 PolarHBondContact O-N 3.37Å; L873-T875 PolarHBondContact O-N 3.15Å; L873-A876 PolarHBondContact O-N 2.91Å; L873-F879 HydrophobicContact CG-CD2 4.28Å; L873-F879 HydrophobicContact CG-CE2 4.29Å; L873-F879 WeakPolarHBondContact O-CD2 3.03Å; L873-Y921 WeakPolarHBondContact CB-OH 3.2Å
874	H	87.4	Confident	88	Confident	47 Å²	47	54.8 Å²	54.8	22%	0.218	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.7	175.3	74.6	72.2	0	0	0	114.4	D871 Q872 F879 K920 Y921	D871-H874 PolarHBondContact O-CD2 3.23Å; D871-H874 PolarHBondContact O-NE2 3.39Å; D871-H874 IonicContact OD1-CD2 3.7Å; D871-H874 PolarHBondContact OD1-CD2 3.4Å; D871-H874 IonicContact OD1-CE1 2.7Å; D871-H874 IonicContact OD1-NE2 3.22Å; D871-H874 PolarHBondContact OD1-NE2 3.13Å; Q872-H874 VanDerWaalsContact C-N 3.29Å; Q872-H874 PolarHBondContact O-N 3.15Å; H874-F879 HydrophobicContact CB-CD1 3.86Å; H874-F879 HydrophobicContact CB-CE1 3.46Å; H874-F879 VanDerWaalsContact CB-CE1 3.46Å; H874-F879 HydrophobicContact CB-CE2 4.44Å; H874-F879 HydrophobicContact CB-CG 4.48Å; H874-F879 HydrophobicContact CB-CZ 3.8Å; H874-F879 WeakPolarHBondContact O-CD1 3.41Å; H874-K920 HydrophobicContact CB-CD 4.34Å; H874-K920 PolarHBondContact NE2-NZ 2.75Å; H874-Y921 HydrophobicContact CB-CE2 4.12Å
875	T	88.5	Confident	87.8	Confident	71 Å²	71	58.5 Å²	58.5	44%	0.436	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-13.3	-178.9	70.3	0	0	0	0	113.8	P835 Q872 L873	P835-T875 WeakPolarHBondContact CB-OG1 3.29Å; P835-T875 WeakPolarHBondContact CG-OG1 3.3Å; Q872-T875 WeakPolarHBondContact O-CB 3.4Å; Q872-T875 PolarHBondContact O-N 2.95Å; Q872-T875 PolarHBondContact O-OG1 3.44Å; L873-T875 PolarHBondContact O-N 3.15Å
876	A	88.1	Confident	87.8	Confident	5 Å²	5	58 Å²	58	4%	0.041	27%	0.272	C	S	.	.	S	Bend	trans	-67	132.4	-178.8	0	0	0	0	0	111.8	P835 L842 L873 R878 F879	P835-A876 HydrophobicContact CB-CB 4.11Å; L842-A876 HydrophobicContact CD2-CB 3.94Å; L873-A876 PolarHBondContact O-N 2.91Å; A876-R878 PolarHBondContact O-N 3.25Å; A876-F879 HydrophobicContact CB-CB 4.41Å; A876-F879 WeakPolarHBondContact O-CB 3.41Å; A876-F879 PolarHBondContact O-N 3.17Å
877	D	81.6	Confident	87.7	Confident	128 Å²	128	63.9 Å²	63.9	68%	0.684	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.3	-40	-171.3	-55.8	-60.8	0	0	0	114.5	S839	S839-D877 WeakPolarHBondContact CB-OD2 3.45Å
878	R	86.2	Confident	87.4	Confident	125 Å²	125	70.7 Å²	70.7	47%	0.472	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-3.2	-173.9	-155.8	169.8	-168.7	-176.1	0.3	113.9	S839 N840 L842 A876 R880 V881 A882	S839-R878 WeakPolarHBondContact O-CB 3.35Å; N840-R878 PolarHBondContact O-NH1 3.1Å; L842-R878 HydrophobicContact CB-CB 4.4Å; A876-R878 PolarHBondContact O-N 3.25Å; R878-R880 PolarHBondContact O-N 3.16Å; R878-V881 HydrophobicContact CG-CB 4.37Å; R878-V881 PolarHBondContact O-N 3.16Å; R878-V881 VanDerWaalsContact O-N 3.08Å; R878-A882 PolarHBondContact O-N 2.69Å
879	F	88.9	Confident	87.1	Confident	6 Å²	6	70.6 Å²	70.6	3%	0.026	34%	0.337	C	S	.	.	H	α-helix	trans	-53.9	-49.3	-174.5	175.3	-105.4	0	0	0	113	L842 I847 L873 H874 A876 V881 A882 L883 Y921	L842-F879 HydrophobicContact CD2-CB 4.07Å; L842-F879 HydrophobicContact CD2-CD2 4.35Å; I847-F879 HydrophobicContact CD1-CD2 3.77Å; I847-F879 HydrophobicContact CD1-CE2 4.01Å; L873-F879 HydrophobicContact CG-CD2 4.28Å; L873-F879 HydrophobicContact CG-CE2 4.29Å; L873-F879 WeakPolarHBondContact O-CD2 3.03Å; H874-F879 HydrophobicContact CB-CD1 3.86Å; H874-F879 HydrophobicContact CB-CE1 3.46Å; H874-F879 VanDerWaalsContact CB-CE1 3.46Å; H874-F879 HydrophobicContact CB-CE2 4.44Å; H874-F879 HydrophobicContact CB-CG 4.48Å; H874-F879 HydrophobicContact CB-CZ 3.8Å; H874-F879 WeakPolarHBondContact O-CD1 3.41Å; A876-F879 HydrophobicContact CB-CB 4.41Å; A876-F879 WeakPolarHBondContact O-CB 3.41Å; A876-F879 PolarHBondContact O-N 3.17Å; F879-V881 VanDerWaalsContact C-N 3.29Å; F879-V881 PolarHBondContact O-N 2.97Å; F879-A882 PolarHBondContact O-N 3.47Å; F879-L883 HydrophobicContact CD1-CD1 4.04Å; F879-L883 HydrophobicContact CD1-CG 4.32Å; F879-L883 HydrophobicContact CD2-CG 4.45Å; F879-L883 HydrophobicContact CE1-CD1 3.37Å; F879-L883 HydrophobicContact CE1-CG 3.92Å; F879-L883 HydrophobicContact CE2-CD1 4.32Å; F879-L883 HydrophobicContact CE2-CD2 4Å; F879-L883 HydrophobicContact CE2-CG 4.04Å; F879-L883 HydrophobicContact CZ-CD1 3.54Å; F879-L883 HydrophobicContact CZ-CD2 3.87Å; F879-L883 HydrophobicContact CZ-CG 3.77Å; F879-L883 PolarHBondContact O-N 2.93Å; F879-Y921 HydrophobicContact CE2-CD1 4.11Å; F879-Y921 AromaticContact CE2-CE1 3.51Å; F879-Y921 HydrophobicContact CE2-CE1 3.51Å; F879-Y921 HydrophobicContact CE2-CE2 4.21Å; F879-Y921 AromaticContact CE2-CZ 3.55Å; F879-Y921 AromaticContact CZ-CD1 3.78Å; F879-Y921 HydrophobicContact CZ-CD1 3.78Å; F879-Y921 AromaticContact CZ-CD2 3.86Å; F879-Y921 HydrophobicContact CZ-CD2 3.86Å; F879-Y921 AromaticContact CZ-CE1 3.54Å; F879-Y921 HydrophobicContact CZ-CE1 3.54Å; F879-Y921 AromaticContact CZ-CE2 3.61Å; F879-Y921 HydrophobicContact CZ-CE2 3.61Å; F879-Y921 AromaticContact CZ-CG 3.93Å; F879-Y921 HydrophobicContact CZ-CG 3.93Å; F879-Y921 AromaticContact CZ-CZ 3.43Å; F879-Y921 VanDerWaalsContact CZ-CZ 3.43Å
880	R	86.3	Confident	86.9	Confident	208 Å²	208	71.7 Å²	71.7	79%	0.785	34%	0.342	S	S	*	.	H	α-helix	trans	-60.2	-37.5	178.6	-71.7	-175.3	172.4	-161	-3.7	113	R878 M884	R878-R880 PolarHBondContact O-N 3.16Å; R880-M884 WeakPolarHBondContact O-CG 3.39Å; R880-M884 PolarHBondContact O-N 3.43Å
881	V	85.9	Confident	86.8	Confident	81 Å²	81	76 Å²	76	49%	0.491	36%	0.358	S	S	.	.	H	α-helix	trans	-70.1	-43.4	177.9	-177.1	0	0	0	0	110.2	R878 F879 M884 M885	R878-V881 HydrophobicContact CG-CB 4.37Å; R878-V881 PolarHBondContact O-N 3.16Å; R878-V881 VanDerWaalsContact O-N 3.08Å; F879-V881 VanDerWaalsContact C-N 3.29Å; F879-V881 PolarHBondContact O-N 2.97Å; V881-M884 PolarHBondContact O-N 2.88Å; V881-M885 PolarHBondContact O-N 3.5Å
882	A	86.1	Confident	86.5	Confident	1 Å²	1	81.7 Å²	81.7	1%	0.008	38%	0.377	C	S	.	.	H	α-helix	trans	-65	-39.2	177	0	0	0	0	0	112.7	L842 G844 I847 R878 F879 M884 M885 L886	L842-A882 HydrophobicContact CG-CB 4.13Å; G844-A882 WeakPolarHBondContact CA-O 3.38Å; I847-A882 HydrophobicContact CD1-CB 3.48Å; I847-A882 VanDerWaalsContact CD1-CB 3.48Å; I847-A882 HydrophobicContact CG1-CB 4.28Å; R878-A882 PolarHBondContact O-N 2.69Å; F879-A882 PolarHBondContact O-N 3.47Å; A882-M884 VanDerWaalsContact C-N 3.33Å; A882-M884 PolarHBondContact O-N 3.49Å; A882-M885 WeakPolarHBondContact O-CB 3.4Å; A882-M885 PolarHBondContact O-N 3.38Å; A882-M885 VanDerWaalsContact O-N 3.1Å; A882-L886 PolarHBondContact O-N 3.14Å
883	L	88.1	Confident	86.4	Confident	21 Å²	21	81.7 Å²	81.7	11%	0.11	38%	0.375	C	S	.	.	H	α-helix	trans	-59.1	-41.4	171.4	-75.6	-173.3	0	0	0	112.4	I847 F879 M885 L886 R891 K920 Y921	I847-L883 HydrophobicContact CD1-CD2 4.25Å; F879-L883 HydrophobicContact CD1-CD1 4.04Å; F879-L883 HydrophobicContact CD1-CG 4.32Å; F879-L883 HydrophobicContact CD2-CG 4.45Å; F879-L883 HydrophobicContact CE1-CD1 3.37Å; F879-L883 HydrophobicContact CE1-CG 3.92Å; F879-L883 HydrophobicContact CE2-CD1 4.32Å; F879-L883 HydrophobicContact CE2-CD2 4Å; F879-L883 HydrophobicContact CE2-CG 4.04Å; F879-L883 HydrophobicContact CZ-CD1 3.54Å; F879-L883 HydrophobicContact CZ-CD2 3.87Å; F879-L883 HydrophobicContact CZ-CG 3.77Å; F879-L883 PolarHBondContact O-N 2.93Å; L883-M885 PolarHBondContact O-N 2.92Å; L883-L886 HydrophobicContact CD2-CD1 3.61Å; L883-L886 WeakPolarHBondContact O-CB 3.32Å; L883-L886 PolarHBondContact O-N 3.28Å; L883-L886 VanDerWaalsContact O-N 3.13Å; L883-R891 PolarHBondContact O-NH2 3.04Å; L883-K920 WeakPolarHBondContact CD1-O 3.48Å; L883-Y921 HydrophobicContact CD2-CD1 4.15Å
884	M	86.4	Confident	86.3	Confident	157 Å²	157	81.8 Å²	81.8	77%	0.773	38%	0.375	S	S	*	.	H	α-helix	trans	-63.5	-23.3	177.2	-71.2	-175.2	77.9	0	0	112.8	R880 V881 A882	R880-M884 WeakPolarHBondContact O-CG 3.39Å; R880-M884 PolarHBondContact O-N 3.43Å; V881-M884 PolarHBondContact O-N 2.88Å; A882-M884 VanDerWaalsContact C-N 3.33Å; A882-M884 PolarHBondContact O-N 3.49Å
885	M	84.9	Confident	86.3	Confident	126 Å²	126	81.6 Å²	81.6	62%	0.621	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-9.2	176.1	-63.3	-179.9	68.8	0	0	114.4	V881 A882 L883 E887	V881-M885 PolarHBondContact O-N 3.5Å; A882-M885 WeakPolarHBondContact O-CB 3.4Å; A882-M885 PolarHBondContact O-N 3.38Å; A882-M885 VanDerWaalsContact O-N 3.1Å; L883-M885 PolarHBondContact O-N 2.92Å; M885-E887 PolarHBondContact O-N 3.02Å
886	L	86	Confident	86.3	Confident	9 Å²	9	83 Å²	83	5%	0.047	38%	0.379	C	S	.	.			trans	-66.3	130.1	177.5	-71.3	172	0	0	0	111.8	G844 I847 A882 L883 E890 R891 V894	G844-L886 VanDerWaalsContact O-CD2 3.23Å; G844-L886 WeakPolarHBondContact O-CD2 3.26Å; I847-L886 HydrophobicContact CB-CD2 4.49Å; I847-L886 HydrophobicContact CG2-CD1 4.34Å; A882-L886 PolarHBondContact O-N 3.14Å; L883-L886 HydrophobicContact CD2-CD1 3.61Å; L883-L886 WeakPolarHBondContact O-CB 3.32Å; L883-L886 PolarHBondContact O-N 3.28Å; L883-L886 VanDerWaalsContact O-N 3.13Å; L886-E890 HydrophobicContact CB-CB 4.48Å; L886-E890 HydrophobicContact CD2-CB 4.01Å; L886-R891 HydrophobicContact CB-CG 3.81Å; L886-R891 PolarHBondContact O-NE 3.35Å; L886-V894 HydrophobicContact CD1-CG2 4.34Å
887	E	86.5	Confident	86.4	Confident	125 Å²	125	82.9 Å²	82.9	58%	0.584	38%	0.377	S	S	*	.			trans	-71.2	167.1	176	-61.6	-164.6	161.8	0	0	112.8	M885 D889 E890 R891	M885-E887 PolarHBondContact O-N 3.02Å; E887-D889 VanDerWaalsContact C-N 3.29Å; E887-D889 PolarHBondContact O-N 3.25Å; E887-E890 HydrophobicContact CB-CG 4.26Å; E887-E890 PolarHBondContact N-OE2 3.32Å; E887-E890 PolarHBondContact O-N 2.92Å; E887-R891 WeakPolarHBondContact O-CG 3.48Å; E887-R891 PolarHBondContact O-N 3.08Å
888	K	85.3	Confident	86.9	Confident	175 Å²	175	77.2 Å²	77.2	76%	0.761	35%	0.347	S	S	*	.	H	α-helix	trans	-59.2	-38.6	-176.4	-70.1	-176.4	178.6	178.8	0	113.1	R892	K888-R892 WeakPolarHBondContact O-CG 3.38Å; K888-R892 PolarHBondContact O-N 3Å; K888-R892 VanDerWaalsContact O-N 3.1Å
889	D	83.6	Confident	87	Confident	100 Å²	100	77 Å²	77	54%	0.535	35%	0.351	S	S	.	.	H	α-helix	trans	-83.1	-27.7	-178.4	-62.7	-58.6	0	0	0	112.4	E887 R892 Y893	E887-D889 VanDerWaalsContact C-N 3.29Å; E887-D889 PolarHBondContact O-N 3.25Å; D889-R892 VanDerWaalsContact OD1-CD 3.29Å; D889-R892 WeakPolarHBondContact OD1-CD 3.41Å; D889-R892 IonicContact OD1-CZ 2.86Å; D889-R892 IonicContact OD1-NE 3.4Å; D889-R892 IonicContact OD1-NH1 3.61Å; D889-R892 PolarHBondContact OD1-NH1 3.35Å; D889-Y893 PolarHBondContact O-N 3.32Å; D889-Y893 VanDerWaalsContact O-N 3.15Å
890	E	86	Confident	86.9	Confident	23 Å²	23	81.3 Å²	81.3	11%	0.107	37%	0.367	C	S	.	.	H	α-helix	trans	-66.2	-42.9	167.3	-59.7	-172.1	122.9	0	0	111.3	H845 S848 L886 E887 Y893 V894	H845-E890 IonicContact ND1-OE1 2.62Å; H845-E890 PolarHBondContact ND1-OE1 2.99Å; H845-E890 IonicContact ND1-OE2 2.77Å; S848-E890 WeakPolarHBondContact CB-OE1 3.4Å; S848-E890 PolarHBondContact OG-OE1 2.91Å; L886-E890 HydrophobicContact CB-CB 4.48Å; L886-E890 HydrophobicContact CD2-CB 4.01Å; E887-E890 HydrophobicContact CB-CG 4.26Å; E887-E890 PolarHBondContact N-OE2 3.32Å; E887-E890 PolarHBondContact O-N 2.92Å; E890-Y893 PolarHBondContact O-N 3.14Å; E890-V894 WeakPolarHBondContact O-CG2 3.35Å; E890-V894 PolarHBondContact O-N 2.76Å
891	R	86.9	Confident	86.9	Confident	93 Å²	93	71.4 Å²	71.4	35%	0.351	33%	0.33	S	S	.	.	H	α-helix	trans	-61.4	-43.4	174.7	-70.9	174.4	-173.3	-112.1	1.6	112.3	L883 L886 E887 Y893 V894 T895	L883-R891 PolarHBondContact O-NH2 3.04Å; L886-R891 HydrophobicContact CB-CG 3.81Å; L886-R891 PolarHBondContact O-NE 3.35Å; E887-R891 WeakPolarHBondContact O-CG 3.48Å; E887-R891 PolarHBondContact O-N 3.08Å; R891-Y893 VanDerWaalsContact C-N 3.26Å; R891-Y893 PolarHBondContact O-N 3.47Å; R891-V894 WeakPolarHBondContact O-CB 3.39Å; R891-V894 PolarHBondContact O-N 3.12Å; R891-V894 VanDerWaalsContact O-N 3.16Å; R891-T895 PolarHBondContact O-N 2.76Å; R891-T895 PolarHBondContact O-OG1 3.49Å
892	R	85.8	Confident	87	Confident	160 Å²	160	69.6 Å²	69.6	60%	0.604	32%	0.321	S	S	*	.	H	α-helix	trans	-55	-43.2	173.2	-79	163.6	160.4	176.4	-8.4	111.8	K888 D889 T895 Q896	K888-R892 WeakPolarHBondContact O-CG 3.38Å; K888-R892 PolarHBondContact O-N 3Å; K888-R892 VanDerWaalsContact O-N 3.1Å; D889-R892 VanDerWaalsContact OD1-CD 3.29Å; D889-R892 WeakPolarHBondContact OD1-CD 3.41Å; D889-R892 IonicContact OD1-CZ 2.86Å; D889-R892 IonicContact OD1-NE 3.4Å; D889-R892 IonicContact OD1-NH1 3.61Å; D889-R892 PolarHBondContact OD1-NH1 3.35Å; R892-T895 WeakPolarHBondContact O-CB 3.44Å; R892-T895 PolarHBondContact O-N 2.78Å; R892-Q896 WeakPolarHBondContact O-CG 3.17Å; R892-Q896 PolarHBondContact O-N 3.14Å
893	Y	85.8	Confident	87	Confident	55 Å²	55	73 Å²	73	22%	0.216	35%	0.349	C	S	.	.	H	α-helix	trans	-69.1	-36.1	178.4	-171.2	-98.2	0	0	0	112.7	V851 K852 D855 D889 E890 R891 Q896 L897	V851-Y893 HydrophobicContact CG1-CD1 3.8Å; V851-Y893 HydrophobicContact CG1-CE1 3.9Å; K852-Y893 HydrophobicContact CB-CE1 4.08Å; K852-Y893 HydrophobicContact CD-CE1 4.46Å; K852-Y893 HydrophobicContact CG-CD1 3.86Å; K852-Y893 HydrophobicContact CG-CE1 3.26Å; D855-Y893 HydrophobicContact CB-CE1 4.35Å; D855-Y893 VanDerWaalsContact CB-OH 3.29Å; D855-Y893 WeakPolarHBondContact CB-OH 3.39Å; D855-Y893 VanDerWaalsContact CG-OH 3.29Å; D855-Y893 PolarHBondContact OD2-OH 2.94Å; D889-Y893 PolarHBondContact O-N 3.32Å; D889-Y893 VanDerWaalsContact O-N 3.15Å; E890-Y893 PolarHBondContact O-N 3.14Å; R891-Y893 VanDerWaalsContact C-N 3.26Å; R891-Y893 PolarHBondContact O-N 3.47Å; Y893-Q896 PolarHBondContact O-N 3.37Å; Y893-L897 PolarHBondContact O-N 3.17Å
894	V	88.1	Confident	86.8	Confident	2 Å²	2	74 Å²	74	1%	0.012	36%	0.356	C	S	.	.	H	α-helix	trans	-60.6	-45	169.7	174	0	0	0	0	111.2	V851 L886 E890 R891 Q896 L897 F898 Y921	V851-V894 HydrophobicContact CG1-CG2 4.01Å; V851-V894 HydrophobicContact CG2-CG2 4.23Å; L886-V894 HydrophobicContact CD1-CG2 4.34Å; E890-V894 WeakPolarHBondContact O-CG2 3.35Å; E890-V894 PolarHBondContact O-N 2.76Å; R891-V894 WeakPolarHBondContact O-CB 3.39Å; R891-V894 PolarHBondContact O-N 3.12Å; R891-V894 VanDerWaalsContact O-N 3.16Å; V894-Q896 PolarHBondContact O-N 3.26Å; V894-L897 PolarHBondContact O-N 2.98Å; V894-F898 HydrophobicContact CG1-CD2 4.02Å; V894-F898 HydrophobicContact CG1-CE2 3.81Å; V894-F898 VanDerWaalsContact O-CD2 3.28Å; V894-F898 WeakPolarHBondContact O-CD2 3.31Å; V894-F898 PolarHBondContact O-N 2.99Å; V894-Y921 HydrophobicContact CG1-CD1 4Å; V894-Y921 HydrophobicContact CG1-CG 4.44Å
895	T	88.1	Confident	86.3	Confident	42 Å²	42	75.1 Å²	75.1	26%	0.258	36%	0.359	S	S	.	.	H	α-helix	trans	-60	-44.4	175.2	-53.5	0	0	0	0	111.6	R891 R892 L897 F898 E899 I922	R891-T895 PolarHBondContact O-N 2.76Å; R891-T895 PolarHBondContact O-OG1 3.49Å; R892-T895 WeakPolarHBondContact O-CB 3.44Å; R892-T895 PolarHBondContact O-N 2.78Å; T895-L897 VanDerWaalsContact C-N 3.34Å; T895-L897 PolarHBondContact O-N 3.04Å; T895-F898 PolarHBondContact O-N 3.22Å; T895-F898 VanDerWaalsContact O-N 3.11Å; T895-E899 PolarHBondContact O-N 3.01Å; T895-I922 HydrophobicContact CG2-CD1 4.1Å
896	Q	88.3	Confident	86.1	Confident	102 Å²	102	70.8 Å²	70.8	48%	0.477	34%	0.341	S	S	.	.	H	α-helix	trans	-61.6	-37.1	177.6	-74.4	171.7	-16.8	0	0	112.9	R892 Y893 V894 E899 R900	R892-Q896 WeakPolarHBondContact O-CG 3.17Å; R892-Q896 PolarHBondContact O-N 3.14Å; Y893-Q896 PolarHBondContact O-N 3.37Å; V894-Q896 PolarHBondContact O-N 3.26Å; Q896-E899 PolarHBondContact O-N 3.31Å; Q896-R900 WeakPolarHBondContact O-CG 3.36Å; Q896-R900 PolarHBondContact O-N 3.33Å
897	L	90	Very high	85.6	Confident	1 Å²	1	75.6 Å²	75.6	1%	0.005	38%	0.382	C	S	.	.	H	α-helix	trans	-60.9	-45	172.1	172	58.1	0	0	0	111.3	V851 L854 D855 L859 L870 Y893 V894 T895 R900 L901	V851-L897 HydrophobicContact CB-CD2 4.33Å; V851-L897 HydrophobicContact CG1-CB 4.36Å; V851-L897 HydrophobicContact CG1-CD2 3.74Å; V851-L897 HydrophobicContact CG2-CD2 4.4Å; L854-L897 HydrophobicContact CB-CD2 4.43Å; D855-L897 HydrophobicContact CB-CD1 3.95Å; L859-L897 HydrophobicContact CD1-CD1 3.89Å; L870-L897 HydrophobicContact CD1-CD2 4.1Å; L870-L897 HydrophobicContact CD2-CD2 4.31Å; Y893-L897 PolarHBondContact O-N 3.17Å; V894-L897 PolarHBondContact O-N 2.98Å; T895-L897 VanDerWaalsContact C-N 3.34Å; T895-L897 PolarHBondContact O-N 3.04Å; L897-R900 PolarHBondContact O-N 3.25Å; L897-L901 VanDerWaalsContact O-CB 3.28Å; L897-L901 WeakPolarHBondContact O-CB 3.48Å; L897-L901 PolarHBondContact O-N 3.03Å
898	F	91.1	Very high	85.3	Confident	9 Å²	9	74.3 Å²	74.3	4%	0.039	38%	0.376	C	S	.	.	H	α-helix	trans	-67.5	-37.1	178.1	-76.5	-67	0	0	0	112.9	L870 V894 T895 L901 S902 V914 L917 A918 Y921	L870-F898 HydrophobicContact CD1-CE1 4.09Å; L870-F898 HydrophobicContact CD1-CZ 4.28Å; L870-F898 HydrophobicContact CD2-CZ 4.49Å; V894-F898 HydrophobicContact CG1-CD2 4.02Å; V894-F898 HydrophobicContact CG1-CE2 3.81Å; V894-F898 VanDerWaalsContact O-CD2 3.28Å; V894-F898 WeakPolarHBondContact O-CD2 3.31Å; V894-F898 PolarHBondContact O-N 2.99Å; T895-F898 PolarHBondContact O-N 3.22Å; T895-F898 VanDerWaalsContact O-N 3.11Å; F898-L901 HydrophobicContact CD1-CD2 4.46Å; F898-L901 PolarHBondContact O-N 3.38Å; F898-S902 WeakPolarHBondContact O-CB 3.19Å; F898-S902 PolarHBondContact O-N 2.92Å; F898-V914 HydrophobicContact CD1-CG1 4.11Å; F898-L917 HydrophobicContact CE1-CB 4.31Å; F898-L917 HydrophobicContact CE1-CD2 4.04Å; F898-L917 HydrophobicContact CE1-CG 3.77Å; F898-L917 HydrophobicContact CZ-CG 4.14Å; F898-A918 HydrophobicContact CB-CB 3.9Å; F898-A918 HydrophobicContact CD1-CB 3.85Å; F898-A918 HydrophobicContact CD2-CB 4Å; F898-A918 HydrophobicContact CE1-CB 4.41Å; F898-A918 HydrophobicContact CG-CB 3.64Å; F898-Y921 AromaticContact CE2-CD1 3.97Å; F898-Y921 HydrophobicContact CE2-CD1 3.97Å; F898-Y921 AromaticContact CE2-CD2 3.97Å; F898-Y921 HydrophobicContact CE2-CD2 3.97Å; F898-Y921 AromaticContact CE2-CG 3.59Å; F898-Y921 HydrophobicContact CE2-CG 3.59Å; F898-Y921 HydrophobicContact CZ-CD1 4.24Å; F898-Y921 AromaticContact CZ-CD2 3.65Å; F898-Y921 HydrophobicContact CZ-CD2 3.65Å; F898-Y921 HydrophobicContact CZ-CE2 4.05Å; F898-Y921 AromaticContact CZ-CG 3.77Å; F898-Y921 HydrophobicContact CZ-CG 3.77Å
899	E	87.9	Confident	85.2	Confident	120 Å²	120	66.8 Å²	66.8	56%	0.561	34%	0.344	S	S	*	.	H	α-helix	trans	-59.5	-49.7	171.3	-72.3	175.5	173.3	0	0	111.1	T895 Q896 L901 S902 A903	T895-E899 PolarHBondContact O-N 3.01Å; Q896-E899 PolarHBondContact O-N 3.31Å; E899-L901 PolarHBondContact O-N 2.92Å; E899-S902 PolarHBondContact O-N 3.08Å; E899-S902 PolarHBondContact O-OG 3.42Å; E899-A903 PolarHBondContact O-N 3.29Å
900	R	87.6	Confident	85.4	Confident	97 Å²	97	65.6 Å²	65.6	37%	0.366	34%	0.34	S	S	.	.	H	α-helix	trans	-61.7	-42.6	176.7	-70.8	-176.9	80.5	-156.7	4.1	112.1	D855 L859 E860 Q896 L897 S902 A903 V904	D855-R900 PolarHBondContact O-NH1 3.02Å; D855-R900 WeakPolarHBondContact OD1-CD 3.35Å; D855-R900 IonicContact OD1-CZ 2.69Å; D855-R900 IonicContact OD1-NE 2.69Å; D855-R900 IonicContact OD1-NH1 2.94Å; D855-R900 PolarHBondContact OD1-NH1 3.48Å; D855-R900 IonicContact OD2-NH1 3.21Å; D855-R900 PolarHBondContact OD2-NH1 3Å; L859-R900 HydrophobicContact CD2-CB 3.98Å; E860-R900 IonicContact OE1-NH2 2.64Å; E860-R900 PolarHBondContact OE1-NH2 2.67Å; Q896-R900 WeakPolarHBondContact O-CG 3.36Å; Q896-R900 PolarHBondContact O-N 3.33Å; L897-R900 PolarHBondContact O-N 3.25Å; R900-S902 VanDerWaalsContact C-N 3.34Å; R900-S902 PolarHBondContact O-N 3.32Å; R900-A903 WeakPolarHBondContact O-CB 3.42Å; R900-A903 PolarHBondContact O-N 3.02Å; R900-A903 VanDerWaalsContact O-N 3.16Å; R900-V904 PolarHBondContact O-N 2.69Å
901	L	87.2	Confident	85.4	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-64.8	-36.2	178.2	-173.3	62.1	0	0	0	112.1	L859 Y867 L870 L897 F898 E899 A903 V904 F909 V914	L859-L901 HydrophobicContact CD1-CB 4.09Å; L859-L901 HydrophobicContact CD1-CD1 3.71Å; L859-L901 HydrophobicContact CD1-CG 4.48Å; Y867-L901 HydrophobicContact CD2-CD2 4.19Å; L870-L901 HydrophobicContact CD1-CD2 3.9Å; L897-L901 VanDerWaalsContact O-CB 3.28Å; L897-L901 WeakPolarHBondContact O-CB 3.48Å; L897-L901 PolarHBondContact O-N 3.03Å; F898-L901 HydrophobicContact CD1-CD2 4.46Å; F898-L901 PolarHBondContact O-N 3.38Å; E899-L901 PolarHBondContact O-N 2.92Å; L901-A903 PolarHBondContact O-N 3.04Å; L901-V904 PolarHBondContact O-N 3.41Å; L901-F909 HydrophobicContact CD1-CE1 4.27Å; L901-F909 HydrophobicContact CD1-CE2 4.14Å; L901-F909 HydrophobicContact CD1-CZ 3.61Å; L901-F909 HydrophobicContact CG-CE2 4.32Å; L901-F909 HydrophobicContact CG-CZ 4.26Å; L901-V914 HydrophobicContact CB-CG1 4.28Å; L901-V914 HydrophobicContact CD2-CG1 4.27Å; L901-V914 HydrophobicContact CD2-CG2 4.36Å; L901-V914 HydrophobicContact CG-CG1 4.2Å; L901-V914 HydrophobicContact CG-CG2 4.14Å
902	S	86.9	Confident	85.3	Confident	43 Å²	43	71.6 Å²	71.6	30%	0.301	37%	0.374	S	S	.	.	H	α-helix	trans	-68.8	-16.6	175.4	81.6	0	0	0	0	114	F898 E899 R900 K911	F898-S902 WeakPolarHBondContact O-CB 3.19Å; F898-S902 PolarHBondContact O-N 2.92Å; E899-S902 PolarHBondContact O-N 3.08Å; E899-S902 PolarHBondContact O-OG 3.42Å; R900-S902 VanDerWaalsContact C-N 3.34Å; R900-S902 PolarHBondContact O-N 3.32Å; S902-K911 WeakPolarHBondContact O-CD 3.36Å; S902-K911 WeakPolarHBondContact O-CE 3.42Å; S902-K911 PolarHBondContact O-NZ 3.29Å
903	A	85.6	Confident	85.4	Confident	72 Å²	72	66.9 Å²	66.9	60%	0.595	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-12	176.6	0	0	0	0	0	113.5	E899 R900 L901	E899-A903 PolarHBondContact O-N 3.29Å; R900-A903 WeakPolarHBondContact O-CB 3.42Å; R900-A903 PolarHBondContact O-N 3.02Å; R900-A903 VanDerWaalsContact O-N 3.16Å; L901-A903 PolarHBondContact O-N 3.04Å
904	V	85.3	Confident	85.5	Confident	43 Å²	43	64.4 Å²	64.4	26%	0.261	35%	0.351	S	S	.	.	S	Bend	trans	-86.1	135.5	175.5	-178.2	0	0	0	0	110.1	P863 R900 L901	P863-V904 HydrophobicContact CB-CG1 3.75Å; P863-V904 HydrophobicContact CG-CG1 3.84Å; R900-V904 PolarHBondContact O-N 2.69Å; L901-V904 PolarHBondContact O-N 3.41Å
905	E	75.4	Confident	85.4	Confident	180 Å²	180	69.5 Å²	69.5	84%	0.841	38%	0.375	S	S	*	.			trans	-87.9	122.8	173	-62	-174.2	161	0	0	109.7
906	S	80.9	Confident	85.3	Confident	35 Å²	35	71.9 Å²	71.9	25%	0.245	39%	0.386	C	S	.	.			trans	-130.8	161	-178.6	173.6	0	0	0	0	110.7	D864 E908 F909	D864-S906 WeakPolarHBondContact OD1-CB 3.48Å; D864-S906 PolarHBondContact OD1-OG 2.86Å; S906-E908 PolarHBondContact OG-N 2.77Å; S906-F909 VanDerWaalsContact CB-CZ 3.46Å; S906-F909 WeakPolarHBondContact OG-CD1 3.25Å; S906-F909 WeakPolarHBondContact OG-CE1 3.4Å
907	A	76.3	Confident	85.4	Confident	110 Å²	110	67.1 Å²	67.1	91%	0.909	36%	0.364	S	S	*	.	S	Bend	trans	-99	-10	169.4	0	0	0	0	0	113.6
908	E	78.6	Confident	85.3	Confident	98 Å²	98	67.3 Å²	67.3	46%	0.458	37%	0.366	S	S	.	.	S	Bend	trans	-96.1	-19	-179.8	-72.4	-169.5	-167	0	0	113.8	D864 R868 S906	D864-E908 HydrophobicContact CB-CB 4.22Å; D864-E908 HydrophobicContact CB-CG 4.16Å; D864-E908 WeakPolarHBondContact CB-OE2 3.44Å; R868-E908 IonicContact CZ-OE1 3.7Å; R868-E908 IonicContact CZ-OE2 3.87Å; R868-E908 IonicContact NE-OE1 2.71Å; R868-E908 IonicContact NE-OE2 2.8Å; R868-E908 PolarHBondContact NE-OE2 3.01Å; R868-E908 VanDerWaalsContact NH2-CD 3.25Å; R868-E908 IonicContact NH2-OE1 2.94Å; R868-E908 PolarHBondContact NH2-OE1 2.95Å; R868-E908 IonicContact NH2-OE2 3.61Å; R868-E908 PolarHBondContact NH2-OE2 3.38Å; S906-E908 PolarHBondContact OG-N 2.77Å
909	F	84.5	Confident	85.1	Confident	17 Å²	17	71.6 Å²	71.6	8%	0.075	39%	0.389	C	S	.	.			trans	-145.4	148.3	-179.3	60.5	-97.2	0	0	0	112.8	P863 Y867 L901 S906 V914	P863-F909 HydrophobicContact CB-CZ 4.41Å; Y867-F909 VanDerWaalsContact CB-CD1 3.5Å; Y867-F909 HydrophobicContact CD1-CB 3.9Å; Y867-F909 AromaticContact CD1-CD1 3.84Å; Y867-F909 HydrophobicContact CD1-CD1 3.84Å; Y867-F909 HydrophobicContact CD1-CG 4.15Å; Y867-F909 HydrophobicContact CD2-CB 3.9Å; Y867-F909 AromaticContact CD2-CD1 3.92Å; Y867-F909 HydrophobicContact CD2-CD1 3.92Å; Y867-F909 HydrophobicContact CD2-CD2 4.29Å; Y867-F909 AromaticContact CD2-CG 3.78Å; Y867-F909 HydrophobicContact CD2-CG 3.78Å; Y867-F909 HydrophobicContact CE1-CB 3.82Å; Y867-F909 HydrophobicContact CE2-CB 3.83Å; Y867-F909 HydrophobicContact CE2-CG 4.2Å; Y867-F909 HydrophobicContact CG-CB 3.96Å; Y867-F909 AromaticContact CG-CD1 3.46Å; Y867-F909 HydrophobicContact CG-CD1 3.46Å; Y867-F909 VanDerWaalsContact CG-CD1 3.46Å; Y867-F909 HydrophobicContact CG-CE1 4.08Å; Y867-F909 AromaticContact CG-CG 3.78Å; Y867-F909 HydrophobicContact CG-CG 3.78Å; L901-F909 HydrophobicContact CD1-CE1 4.27Å; L901-F909 HydrophobicContact CD1-CE2 4.14Å; L901-F909 HydrophobicContact CD1-CZ 3.61Å; L901-F909 HydrophobicContact CG-CE2 4.32Å; L901-F909 HydrophobicContact CG-CZ 4.26Å; S906-F909 VanDerWaalsContact CB-CZ 3.46Å; S906-F909 WeakPolarHBondContact OG-CD1 3.25Å; S906-F909 WeakPolarHBondContact OG-CE1 3.4Å; F909-V914 HydrophobicContact CD2-CG2 3.38Å; F909-V914 HydrophobicContact CE2-CG2 3.7Å; F909-V914 HydrophobicContact CG-CG2 4.26Å
910	T	88.1	Confident	85.1	Confident	76 Å²	76	69.9 Å²	69.9	47%	0.466	38%	0.38	S	S	.	.			trans	-97.3	169.7	171.2	75	0	0	0	0	112	D912 D913 V914	T910-D912 VanDerWaalsContact C-N 3.26Å; T910-D912 PolarHBondContact O-N 3.03Å; T910-D912 PolarHBondContact OG1-N 2.75Å; T910-D913 VanDerWaalsContact CB-OD2 3.26Å; T910-D913 WeakPolarHBondContact CB-OD2 3.44Å; T910-D913 WeakPolarHBondContact CG2-OD2 3.16Å; T910-D913 PolarHBondContact N-OD2 3.41Å; T910-D913 PolarHBondContact O-N 3.11Å; T910-D913 VanDerWaalsContact OG1-CG 3.22Å; T910-D913 PolarHBondContact OG1-N 2.74Å; T910-D913 PolarHBondContact OG1-OD2 3.35Å; T910-V914 WeakPolarHBondContact O-CG2 3.14Å; T910-V914 PolarHBondContact O-N 3.5Å; T910-V914 VanDerWaalsContact O-N 3.07Å
911	K	85.7	Confident	85.1	Confident	121 Å²	121	65.5 Å²	65.5	53%	0.526	36%	0.363	S	S	.	.	H	α-helix	trans	-64.8	-31.8	175.4	-58.9	-166.4	-179.1	-158.1	0	112.5	S902 V914 Q915	S902-K911 WeakPolarHBondContact O-CD 3.36Å; S902-K911 WeakPolarHBondContact O-CE 3.42Å; S902-K911 PolarHBondContact O-NZ 3.29Å; K911-V914 PolarHBondContact O-N 3.42Å; K911-Q915 PolarHBondContact O-N 3.03Å
912	D	85.1	Confident	84.5	Confident	121 Å²	121	71.5 Å²	71.5	65%	0.647	39%	0.394	S	S	*	.	H	α-helix	trans	-70.2	-36.1	175.4	-64.6	-22.3	0	0	0	111	T910 Q915 N916	T910-D912 VanDerWaalsContact C-N 3.26Å; T910-D912 PolarHBondContact O-N 3.03Å; T910-D912 PolarHBondContact OG1-N 2.75Å; D912-Q915 PolarHBondContact O-N 3.25Å; D912-N916 WeakPolarHBondContact O-CB 3.35Å; D912-N916 PolarHBondContact O-N 3.33Å; D912-N916 PolarHBondContact O-ND2 3.43Å
913	D	86.8	Confident	84.4	Confident	61 Å²	61	73 Å²	73	33%	0.326	40%	0.399	S	S	.	.	H	α-helix	trans	-65.9	-42.4	173.9	-56.8	-52.7	0	0	0	111.8	T910 Q915 N916 L917	T910-D913 VanDerWaalsContact CB-OD2 3.26Å; T910-D913 WeakPolarHBondContact CB-OD2 3.44Å; T910-D913 WeakPolarHBondContact CG2-OD2 3.16Å; T910-D913 PolarHBondContact N-OD2 3.41Å; T910-D913 PolarHBondContact O-N 3.11Å; T910-D913 VanDerWaalsContact OG1-CG 3.22Å; T910-D913 PolarHBondContact OG1-N 2.74Å; T910-D913 PolarHBondContact OG1-OD2 3.35Å; D913-Q915 VanDerWaalsContact C-N 3.33Å; D913-Q915 PolarHBondContact O-N 3.12Å; D913-N916 PolarHBondContact O-N 3.44Å; D913-L917 WeakPolarHBondContact O-CB 3.48Å; D913-L917 PolarHBondContact O-N 2.79Å
914	V	87.8	Confident	84.4	Confident	2 Å²	2	73 Å²	73	1%	0.012	39%	0.388	C	S	.	.	H	α-helix	trans	-61.8	-40.5	173.6	176.9	0	0	0	0	111.1	Y867 F898 L901 F909 T910 K911 L917 A918	Y867-V914 HydrophobicContact CD2-CG2 4.13Å; Y867-V914 HydrophobicContact CE2-CG2 4.17Å; F898-V914 HydrophobicContact CD1-CG1 4.11Å; L901-V914 HydrophobicContact CB-CG1 4.28Å; L901-V914 HydrophobicContact CD2-CG1 4.27Å; L901-V914 HydrophobicContact CD2-CG2 4.36Å; L901-V914 HydrophobicContact CG-CG1 4.2Å; L901-V914 HydrophobicContact CG-CG2 4.14Å; F909-V914 HydrophobicContact CD2-CG2 3.38Å; F909-V914 HydrophobicContact CE2-CG2 3.7Å; F909-V914 HydrophobicContact CG-CG2 4.26Å; T910-V914 WeakPolarHBondContact O-CG2 3.14Å; T910-V914 PolarHBondContact O-N 3.5Å; T910-V914 VanDerWaalsContact O-N 3.07Å; K911-V914 PolarHBondContact O-N 3.42Å; V914-L917 PolarHBondContact O-N 2.93Å; V914-A918 WeakPolarHBondContact O-CB 3.48Å; V914-A918 PolarHBondContact O-N 3.3Å
915	Q	86.4	Confident	84.3	Confident	109 Å²	109	74.7 Å²	74.7	51%	0.509	40%	0.396	S	S	.	.	H	α-helix	trans	-67.4	-41.6	175.3	-173.2	61.7	64.1	0	0	112	K911 D912 D913 L917 A918 N919	K911-Q915 PolarHBondContact O-N 3.03Å; D912-Q915 PolarHBondContact O-N 3.25Å; D913-Q915 VanDerWaalsContact C-N 3.33Å; D913-Q915 PolarHBondContact O-N 3.12Å; Q915-L917 VanDerWaalsContact C-N 3.27Å; Q915-L917 PolarHBondContact O-N 2.9Å; Q915-A918 PolarHBondContact O-N 2.87Å; Q915-N919 PolarHBondContact NE2-OD1 3.04Å; Q915-N919 WeakPolarHBondContact O-CB 3.38Å; Q915-N919 PolarHBondContact O-N 3.43Å; Q915-N919 PolarHBondContact O-ND2 2.85Å; Q915-N919 PolarHBondContact O-OD1 3.07Å
916	N	86.6	Confident	84.8	Confident	93 Å²	93	68.5 Å²	68.5	50%	0.497	37%	0.369	S	S	.	.	H	α-helix	trans	-63.2	-33.1	175.1	-76	-39.9	0	0	0	112.3	D912 D913	D912-N916 WeakPolarHBondContact O-CB 3.35Å; D912-N916 PolarHBondContact O-N 3.33Å; D912-N916 PolarHBondContact O-ND2 3.43Å; D913-N916 PolarHBondContact O-N 3.44Å
917	L	89.7	Confident	85.1	Confident	2 Å²	2	70.6 Å²	70.6	1%	0.01	38%	0.377	C	S	.	.	H	α-helix	trans	-74.5	-43.9	173.2	-177.7	55.4	0	0	0	111.8	Y867 L870 D871 F898 D913 V914 Q915 N919 K920 Y921	Y867-L917 HydrophobicContact CD2-CD2 3.85Å; Y867-L917 HydrophobicContact CE2-CB 4.49Å; Y867-L917 HydrophobicContact CE2-CD2 3.56Å; L870-L917 HydrophobicContact CB-CD2 3.83Å; D871-L917 HydrophobicContact CB-CD1 4.2Å; D871-L917 HydrophobicContact CB-CD2 4.09Å; F898-L917 HydrophobicContact CE1-CB 4.31Å; F898-L917 HydrophobicContact CE1-CD2 4.04Å; F898-L917 HydrophobicContact CE1-CG 3.77Å; F898-L917 HydrophobicContact CZ-CG 4.14Å; D913-L917 WeakPolarHBondContact O-CB 3.48Å; D913-L917 PolarHBondContact O-N 2.79Å; V914-L917 PolarHBondContact O-N 2.93Å; Q915-L917 VanDerWaalsContact C-N 3.27Å; Q915-L917 PolarHBondContact O-N 2.9Å; L917-N919 VanDerWaalsContact C-N 3.25Å; L917-N919 PolarHBondContact O-N 2.82Å; L917-K920 HydrophobicContact CD1-CD 4.02Å; L917-K920 WeakPolarHBondContact O-CB 3.47Å; L917-K920 PolarHBondContact O-N 3.03Å; L917-Y921 HydrophobicContact CD1-CD2 4.36Å; L917-Y921 HydrophobicContact CD1-CE2 3.94Å; L917-Y921 WeakPolarHBondContact O-CD2 3.37Å
918	A	88.2	Confident	85.7	Confident	4 Å²	4	67.9 Å²	67.9	3%	0.033	34%	0.342	C	S	.	.	H	α-helix	trans	-57.6	-38.8	175.6	0	0	0	0	0	112	F898 V914 Q915 K920 Y921 I922	F898-A918 HydrophobicContact CB-CB 3.9Å; F898-A918 HydrophobicContact CD1-CB 3.85Å; F898-A918 HydrophobicContact CD2-CB 4Å; F898-A918 HydrophobicContact CE1-CB 4.41Å; F898-A918 HydrophobicContact CG-CB 3.64Å; V914-A918 WeakPolarHBondContact O-CB 3.48Å; V914-A918 PolarHBondContact O-N 3.3Å; Q915-A918 PolarHBondContact O-N 2.87Å; A918-K920 PolarHBondContact O-N 3.24Å; A918-K920 VanDerWaalsContact O-N 3.07Å; A918-Y921 PolarHBondContact O-N 2.79Å; A918-I922 HydrophobicContact CB-CD1 4.19Å; A918-I922 PolarHBondContact O-N 2.99Å; A918-I922 VanDerWaalsContact O-N 3.11Å
919	N	87.6	Confident	86.2	Confident	100 Å²	100	65.8 Å²	65.8	54%	0.535	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-8.4	174.3	-64.5	-13.8	0	0	0	114.3	Q915 L917	Q915-N919 PolarHBondContact NE2-OD1 3.04Å; Q915-N919 WeakPolarHBondContact O-CB 3.38Å; Q915-N919 PolarHBondContact O-N 3.43Å; Q915-N919 PolarHBondContact O-ND2 2.85Å; Q915-N919 PolarHBondContact O-OD1 3.07Å; L917-N919 VanDerWaalsContact C-N 3.25Å; L917-N919 PolarHBondContact O-N 2.82Å
920	K	87.2	Confident	86.3	Confident	83 Å²	83	69.5 Å²	69.5	36%	0.361	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-13.9	170.9	-50.8	175.7	-162.1	167	0	112.8	D871 H874 L883 L917 A918	D871-K920 IonicContact OD1-NZ 2.68Å; D871-K920 PolarHBondContact OD1-NZ 2.73Å; H874-K920 HydrophobicContact CB-CD 4.34Å; H874-K920 PolarHBondContact NE2-NZ 2.75Å; L883-K920 WeakPolarHBondContact CD1-O 3.48Å; L917-K920 HydrophobicContact CD1-CD 4.02Å; L917-K920 WeakPolarHBondContact O-CB 3.47Å; L917-K920 PolarHBondContact O-N 3.03Å; A918-K920 PolarHBondContact O-N 3.24Å; A918-K920 VanDerWaalsContact O-N 3.07Å
921	Y	86.4	Confident	86.2	Confident	6 Å²	6	69 Å²	69	2%	0.024	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-23.2	-171.7	-85.1	-103.8	0	0	0	114.3	L870 L873 H874 F879 L883 V894 F898 L917 A918	L870-Y921 HydrophobicContact CD2-CE1 4.29Å; L870-Y921 PolarHBondContact O-OH 3.38Å; L873-Y921 WeakPolarHBondContact CB-OH 3.2Å; H874-Y921 HydrophobicContact CB-CE2 4.12Å; F879-Y921 HydrophobicContact CE2-CD1 4.11Å; F879-Y921 AromaticContact CE2-CE1 3.51Å; F879-Y921 HydrophobicContact CE2-CE1 3.51Å; F879-Y921 HydrophobicContact CE2-CE2 4.21Å; F879-Y921 AromaticContact CE2-CZ 3.55Å; F879-Y921 AromaticContact CZ-CD1 3.78Å; F879-Y921 HydrophobicContact CZ-CD1 3.78Å; F879-Y921 AromaticContact CZ-CD2 3.86Å; F879-Y921 HydrophobicContact CZ-CD2 3.86Å; F879-Y921 AromaticContact CZ-CE1 3.54Å; F879-Y921 HydrophobicContact CZ-CE1 3.54Å; F879-Y921 AromaticContact CZ-CE2 3.61Å; F879-Y921 HydrophobicContact CZ-CE2 3.61Å; F879-Y921 AromaticContact CZ-CG 3.93Å; F879-Y921 HydrophobicContact CZ-CG 3.93Å; F879-Y921 AromaticContact CZ-CZ 3.43Å; F879-Y921 VanDerWaalsContact CZ-CZ 3.43Å; L883-Y921 HydrophobicContact CD2-CD1 4.15Å; V894-Y921 HydrophobicContact CG1-CD1 4Å; V894-Y921 HydrophobicContact CG1-CG 4.44Å; F898-Y921 AromaticContact CE2-CD1 3.97Å; F898-Y921 HydrophobicContact CE2-CD1 3.97Å; F898-Y921 AromaticContact CE2-CD2 3.97Å; F898-Y921 HydrophobicContact CE2-CD2 3.97Å; F898-Y921 AromaticContact CE2-CG 3.59Å; F898-Y921 HydrophobicContact CE2-CG 3.59Å; F898-Y921 HydrophobicContact CZ-CD1 4.24Å; F898-Y921 AromaticContact CZ-CD2 3.65Å; F898-Y921 HydrophobicContact CZ-CD2 3.65Å; F898-Y921 HydrophobicContact CZ-CE2 4.05Å; F898-Y921 AromaticContact CZ-CG 3.77Å; F898-Y921 HydrophobicContact CZ-CG 3.77Å; L917-Y921 HydrophobicContact CD1-CD2 4.36Å; L917-Y921 HydrophobicContact CD1-CE2 3.94Å; L917-Y921 WeakPolarHBondContact O-CD2 3.37Å; A918-Y921 PolarHBondContact O-N 2.79Å
922	I	76.5	Confident	86.2	Confident	126 Å²	126	64.3 Å²	64.3	65%	0.646	33%	0.327	S	S	*	.			trans	-105.5	0	-172.4	-59.9	175.3	0	0	0	110.5	T895 A918	T895-I922 HydrophobicContact CG2-CD1 4.1Å; A918-I922 HydrophobicContact CB-CD1 4.19Å; A918-I922 PolarHBondContact O-N 2.99Å; A918-I922 VanDerWaalsContact O-N 3.11Å

Retrieved 922 of 922 residues in 829.6 ms (Link to these results)

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