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Exocyst complex component SEC10a

Component of the exocyst complex involved in the docking of exocytic vesicles with fusion sites on the plasma membrane during regulated or polarized secretion. Involved in polarized cell growth and organ morphogenesis. During cytokinesis, involved in cell plate initiation, cell plate maturation and formation of new primary cell wall.

AlphaFold DB , UniProt , Accession X5JA13, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene SEC10a, Length 825 aa.

						>SECAA_ARATH|X5JA13|SEC10a
MTEGIRARGPRSSSVNSVPLILDIEDFKGDFSFDALFGNLVNDLLPSFLDEEADSGDGHGNIAGVDGLTNGHLRGQSAPLSSAPFFPEVDGLLSLFKDACKELVDLRKQVDGRLNTLKKEVSTQDSKHRKTLTEIEKGVDGLFESFARLDGRISSVGQTAAKIGDHLQSADAQRETASQTIDLIKYLMEFNGSPGDLMELSALFSDDSRVAEAASIAQKLRSFAEEDIGRQGASAAAGNATPGRGLEVAVANLQDYCNELENRLLSRFDAASQRRDLSTMSECAKILSQFNRGTSAMQHYVATRPMFIDVEVMNSDIRLVLGDHGSQPSPSNVARGLSALFKEITDTVRKEAATITAVFPTPNEVMAILVQRVLEQRVTGILDKILAKPSLMSPPPVQEGGLLLYLRMLAVAYERTQELAKDLRAVGCGDLDVEDLTESLFSSHKDEYPEHERASLKQLYQAKMEELRAESQQVSESSGTIGRSKGASISSSLQQISVTVVTDFVRWNEEAITRCTLFSSQPATLAANVKAIFTCLLDQVSVYITEGLERARDSLSEAAALRERFVLGRRVAAAAASAAEAAAAAGESSFKSFMVAVQRCGSSVAIVQQYFANSISRLLLPVDGAHAASCEEMSTALSKAEAAAYKGLQQCIETVMAEVDRLLSSEQKSTDYRSTDDGIASDHRPTNACIRVVAYLSRVLESAFTALEGLNKQAFLTELGNRLEKLLLTHWQKFTFNPSGGLRLKRDLNEYVGFVKSFGAPSVDEKFELLGIIANVFIVAPDSLPTLFEGSPSIRKDAQRFIQLREDYKSAKLATKLSSLWPSLS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.7	Very low	29.4	Very low	242 Å²	242	164.5 Å²	164.5	100%	1.192	86%	0.864	S	S	*	*				0	107.9	0	-67.7	179.3	-178.9	0	0	105.7
2	T	33.2	Very low	29.3	Very low	138 Å²	138	159.8 Å²	159.8	85%	0.847	86%	0.855	S	S	*	*			cis	-155.9	115.6	24.8	32.8	0	0	0	0	106.2	G4	T2-G4 PolarHBondContact O-N 2.87Å
3	E	29.5	Very low	29.4	Very low	197 Å²	197	157.4 Å²	157.4	92%	0.921	86%	0.858	S	S	*	*			trans	-78.7	102.8	171.5	-78.7	-177.8	151.6	0	0	108.8	I5	E3-I5 PolarHBondContact O-N 2.93Å
4	G	31.8	Very low	29.6	Very low	74 Å²	74	151.9 Å²	151.9	76%	0.763	84%	0.837	S	S	*	*			trans	-80	102.3	176	0	0	0	0	0	110.9	T2 R6	T2-G4 PolarHBondContact O-N 2.87Å; G4-R6 PolarHBondContact O-N 3.4Å; G4-R6 VanDerWaalsContact O-N 3.12Å
5	I	29.1	Very low	30	Very low	168 Å²	168	151.4 Å²	151.4	86%	0.862	84%	0.839	S	S	*	*			trans	-64.2	105.7	169.3	-63.5	169.6	0	0	0	108.3	E3	E3-I5 PolarHBondContact O-N 2.93Å
6	R	29.5	Very low	30.2	Very low	242 Å²	242	150.1 Å²	150.1	91%	0.913	83%	0.83	S	S	*	*			trans	-93.1	109.5	176.7	-145.8	176.5	-171.3	-176.6	2.1	109.2	G4	G4-R6 PolarHBondContact O-N 3.4Å; G4-R6 VanDerWaalsContact O-N 3.12Å
7	A	28.5	Very low	30.9	Very low	96 Å²	96	147.5 Å²	147.5	79%	0.793	83%	0.826	S	S	*	*			trans	-61.6	134.1	179.2	0	0	0	0	0	112.3	G9	A7-G9 PolarHBondContact O-N 3.34Å
8	R	26.4	Very low	31.8	Very low	230 Å²	230	146.3 Å²	146.3	87%	0.868	82%	0.822	S	S	*	*			trans	-82	104.2	-177.4	-141.9	177.3	-169.8	-177.9	3.8	109.3
9	G	26.4	Very low	32.9	Very low	60 Å²	60	143.6 Å²	143.6	62%	0.619	81%	0.811	S	S	*	*			trans	-78.3	161.3	172.2	0	0	0	0	0	112.9	A7	A7-G9 PolarHBondContact O-N 3.34Å
10	P	32.6	Very low	34.1	Very low	131 Å²	131	138.7 Å²	138.7	85%	0.851	78%	0.783	S	S	*	*			trans	-79	140.5	-164.8	31.6	-32.9	0	0	0	113.1	S12	P10-S12 PolarHBondContact O-N 2.83Å
11	R	27.3	Very low	35.5	Very low	232 Å²	232	138.3 Å²	138.3	88%	0.875	78%	0.777	S	S	*	*			trans	-68.6	104.6	-174.9	-67.6	173.3	167.8	176.6	-7.9	111.1
12	S	29	Very low	37.4	Very low	108 Å²	108	127.6 Å²	127.6	76%	0.755	73%	0.725	S	S	*	*			trans	-93.5	127.8	161.9	62.3	0	0	0	0	109.9	P10 S14	P10-S12 PolarHBondContact O-N 2.83Å; S12-S14 PolarHBondContact O-N 3.16Å
13	S	30.5	Very low	39.3	Very low	128 Å²	128	125.1 Å²	125.1	90%	0.895	71%	0.706	S	S	*	*			trans	-62.7	101.9	-179.4	37.7	0	0	0	0	113.1
14	S	31.5	Very low	41.3	Very low	80 Å²	80	116.8 Å²	116.8	56%	0.559	67%	0.668	S	S	*	*			trans	-146.1	109.4	151.6	59.9	0	0	0	0	106.8	S12 N16	S12-S14 PolarHBondContact O-N 3.16Å; S14-N16 PolarHBondContact O-N 2.94Å
15	V	35.3	Very low	43.2	Very low	145 Å²	145	118 Å²	118	88%	0.879	65%	0.654	S	S	*	*			trans	-68.9	71.6	173.4	-177	0	0	0	0	107.6	S17	V15-S17 PolarHBondContact O-N 2.95Å
16	N	33.9	Very low	45.1	Very low	130 Å²	130	114 Å²	114	70%	0.695	63%	0.634	S	S	*	*			trans	-82	98.8	157.4	-76.5	-14.6	0	0	0	104	S14 V18	S14-N16 PolarHBondContact O-N 2.94Å; N16-V18 VanDerWaalsContact C-N 3.35Å; N16-V18 PolarHBondContact O-N 3.11Å
17	S	41.8	Very low	47.2	Very low	107 Å²	107	105.8 Å²	105.8	75%	0.748	61%	0.605	S	S	*	*			trans	-46.8	101.7	167.6	36.8	0	0	0	0	108.3	V15	V15-S17 PolarHBondContact O-N 2.95Å
18	V	46.5	Very low	49.1	Very low	125 Å²	125	107.2 Å²	107.2	76%	0.758	59%	0.593	S	S	*	*			trans	-60.3	126.1	169.5	180	0	0	0	0	104.9	N16 L20	N16-V18 VanDerWaalsContact C-N 3.35Å; N16-V18 PolarHBondContact O-N 3.11Å; V18-L20 PolarHBondContact O-N 2.9Å; V18-L20 VanDerWaalsContact O-N 3.14Å
19	P	52.9	Low	51.4	Low	95 Å²	95	99.5 Å²	99.5	62%	0.617	59%	0.586	S	S	*	*			trans	-55.3	126.4	177.7	-18.2	28.8	0	0	0	107.6	I21	P19-I21 PolarHBondContact O-N 2.83Å
20	L	57.5	Low	53.5	Low	46 Å²	46	105 Å²	105	24%	0.241	60%	0.601	C	S	.	*			trans	-68.4	104	177.7	-166.3	141.9	0	0	0	106.5	V18 L22 L40 L95	V18-L20 PolarHBondContact O-N 2.9Å; V18-L20 VanDerWaalsContact O-N 3.14Å; L20-L22 HydrophobicContact CD2-CD1 4.44Å; L20-L22 HydrophobicContact CD2-CD2 3.78Å; L20-L22 HydrophobicContact CD2-CG 3.79Å; L20-L40 HydrophobicContact CD1-CD1 3.49Å; L20-L40 VanDerWaalsContact CD1-CD1 3.49Å; L20-L40 HydrophobicContact CD1-CG 3.69Å; L20-L40 HydrophobicContact CD2-CD1 3.52Å; L20-L40 HydrophobicContact CG-CD1 4.15Å; L20-L95 HydrophobicContact CD1-CD1 3.61Å; L20-L95 HydrophobicContact CD1-CG 4.24Å
21	I	64.4	Low	55.6	Low	130 Å²	130	103.4 Å²	103.4	67%	0.667	58%	0.581	S	S	*	*			trans	-96.3	104.8	-178.7	-61.7	165.5	0	0	0	107.6	P19 E102	P19-I21 PolarHBondContact O-N 2.83Å; I21-E102 WeakPolarHBondContact CA-OE2 3.1Å
22	L	67.8	Low	58	Low	18 Å²	18	95 Å²	95	9%	0.094	56%	0.558	C	S	.	*			trans	-78.7	118.1	168.1	-64.6	175.5	0	0	0	109	L20 F27 L36 A99 E102 L103	L20-L22 HydrophobicContact CD2-CD1 4.44Å; L20-L22 HydrophobicContact CD2-CD2 3.78Å; L20-L22 HydrophobicContact CD2-CG 3.79Å; L22-F27 HydrophobicContact CB-CE2 4.43Å; L22-L36 HydrophobicContact CD2-CD1 4.05Å; L22-A99 HydrophobicContact CD1-CB 4.5Å; L22-E102 HydrophobicContact CD1-CB 4.32Å; L22-E102 PolarHBondContact N-OE2 2.85Å; L22-L103 HydrophobicContact CD1-CD2 4.07Å; L22-L103 HydrophobicContact CD1-CG 3.82Å
23	D	72.1	Confident	60.3	Low	86 Å²	86	96 Å²	96	46%	0.46	55%	0.548	S	S	.	.			trans	-94.2	152.6	176.1	-159.5	-23.9	0	0	0	110.4	E25 D26 F27	D23-E25 PolarHBondContact O-N 2.86Å; D23-D26 PolarHBondContact N-OD2 3.39Å; D23-D26 WeakPolarHBondContact O-CB 3.3Å; D23-D26 PolarHBondContact O-N 2.93Å; D23-F27 WeakPolarHBondContact O-CD2 3.35Å
24	I	71.7	Confident	62.5	Low	21 Å²	21	95.9 Å²	95.9	11%	0.108	54%	0.538	C	S	.	.	G	3₁₀ helix	trans	-57.7	-30.6	172.2	-113.3	163.8	0	0	0	111.4	D26 F27 L106 V110	I24-D26 PolarHBondContact O-N 2.61Å; I24-F27 PolarHBondContact O-N 3.4Å; I24-L106 HydrophobicContact CB-CD1 4.33Å; I24-L106 HydrophobicContact CD1-CD1 4.45Å; I24-L106 HydrophobicContact CG1-CD1 3.93Å; I24-L106 HydrophobicContact CG1-CD2 4.16Å; I24-L106 HydrophobicContact CG1-CG 3.89Å; I24-V110 HydrophobicContact CD1-CG2 3.56Å; I24-V110 HydrophobicContact CG1-CG2 3.91Å
25	E	72.6	Confident	64.7	Low	100 Å²	100	94.5 Å²	94.5	47%	0.467	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-65.2	-27.3	178.4	-59.2	-59.1	136.6	0	0	112.1	D23 F27 K28	D23-E25 PolarHBondContact O-N 2.86Å; E25-F27 PolarHBondContact O-N 3.1Å; E25-F27 VanDerWaalsContact O-N 3.16Å; E25-K28 PolarHBondContact O-N 2.66Å; E25-K28 VanDerWaalsContact O-N 3.17Å; E25-K28 VanDerWaalsContact OE1-CE 3.26Å; E25-K28 WeakPolarHBondContact OE1-CE 3.37Å; E25-K28 IonicContact OE1-NZ 2.72Å; E25-K28 PolarHBondContact OE1-NZ 3.33Å; E25-K28 VanDerWaalsContact OE2-CD 3.31Å; E25-K28 WeakPolarHBondContact OE2-CD 3.26Å; E25-K28 VanDerWaalsContact OE2-CE 3.3Å; E25-K28 WeakPolarHBondContact OE2-CE 3.48Å; E25-K28 IonicContact OE2-NZ 2.81Å; E25-K28 PolarHBondContact OE2-NZ 2.72Å
26	D	69.1	Low	66.7	Low	85 Å²	85	89.4 Å²	89.4	46%	0.455	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-66.1	-17.6	177	-59.6	-36.4	0	0	0	112.5	D23 I24	D23-D26 PolarHBondContact N-OD2 3.39Å; D23-D26 WeakPolarHBondContact O-CB 3.3Å; D23-D26 PolarHBondContact O-N 2.93Å; I24-D26 PolarHBondContact O-N 2.61Å
27	F	73.1	Confident	68.8	Low	68 Å²	68	87.3 Å²	87.3	30%	0.298	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-106.4	9.6	-179.5	-59.4	-85.2	0	0	0	113.1	L22 D23 I24 E25 F31 L36 L103 L106	L22-F27 HydrophobicContact CB-CE2 4.43Å; D23-F27 WeakPolarHBondContact O-CD2 3.35Å; I24-F27 PolarHBondContact O-N 3.4Å; E25-F27 PolarHBondContact O-N 3.1Å; E25-F27 VanDerWaalsContact O-N 3.16Å; F27-F31 AromaticContact CD1-CD2 3.77Å; F27-F31 HydrophobicContact CD1-CD2 3.77Å; F27-F31 AromaticContact CD1-CE2 3.7Å; F27-F31 HydrophobicContact CD1-CE2 3.7Å; F27-F31 HydrophobicContact CD1-CZ 4.4Å; F27-F31 HydrophobicContact CE1-CD2 4.11Å; F27-F31 AromaticContact CE1-CE2 3.55Å; F27-F31 HydrophobicContact CE1-CE2 3.55Å; F27-F31 HydrophobicContact CE1-CZ 4.06Å; F27-L36 HydrophobicContact CE1-CD1 4.22Å; F27-L36 HydrophobicContact CZ-CD1 4Å; F27-L103 HydrophobicContact CE1-CD2 4.07Å; F27-L103 HydrophobicContact CE2-CD2 4.32Å; F27-L103 HydrophobicContact CZ-CD2 3.55Å; F27-L106 HydrophobicContact CD2-CD2 3.54Å; F27-L106 HydrophobicContact CE2-CD2 3.45Å; F27-L106 VanDerWaalsContact CE2-CD2 3.45Å; F27-L106 HydrophobicContact CZ-CD2 4.43Å
28	K	69.4	Low	70.4	Confident	126 Å²	126	83.1 Å²	83.1	55%	0.548	46%	0.457	S	S	.	.	S	Bend	trans	-91.7	135.5	174.6	-71.4	-168.1	-169.2	162.9	0	111.3	E25	E25-K28 PolarHBondContact O-N 2.66Å; E25-K28 VanDerWaalsContact O-N 3.17Å; E25-K28 VanDerWaalsContact OE1-CE 3.26Å; E25-K28 WeakPolarHBondContact OE1-CE 3.37Å; E25-K28 IonicContact OE1-NZ 2.72Å; E25-K28 PolarHBondContact OE1-NZ 3.33Å; E25-K28 VanDerWaalsContact OE2-CD 3.31Å; E25-K28 WeakPolarHBondContact OE2-CD 3.26Å; E25-K28 VanDerWaalsContact OE2-CE 3.3Å; E25-K28 WeakPolarHBondContact OE2-CE 3.48Å; E25-K28 IonicContact OE2-NZ 2.81Å; E25-K28 PolarHBondContact OE2-NZ 2.72Å
29	G	73.5	Confident	71.7	Confident	69 Å²	69	83.1 Å²	83.1	71%	0.711	45%	0.453	S	S	*	.	S	Bend	trans	82.8	-142.8	179	0	0	0	0	0	112.5	F31	G29-F31 PolarHBondContact O-N 3.23Å; G29-F31 VanDerWaalsContact O-N 3.08Å
30	D	71.4	Confident	72.7	Confident	176 Å²	176	79.3 Å²	79.3	94%	0.941	43%	0.427	S	S	*	.	S	Bend	trans	-79.6	87.7	-177.3	-66.2	-26.5	0	0	0	110.7
31	F	75.9	Confident	73.6	Confident	96 Å²	96	77.3 Å²	77.3	42%	0.421	42%	0.417	S	S	.	.			trans	-71	130.2	176.2	172.4	-100.2	0	0	0	111.7	F27 G29 F33 L36	F27-F31 AromaticContact CD1-CD2 3.77Å; F27-F31 HydrophobicContact CD1-CD2 3.77Å; F27-F31 AromaticContact CD1-CE2 3.7Å; F27-F31 HydrophobicContact CD1-CE2 3.7Å; F27-F31 HydrophobicContact CD1-CZ 4.4Å; F27-F31 HydrophobicContact CE1-CD2 4.11Å; F27-F31 AromaticContact CE1-CE2 3.55Å; F27-F31 HydrophobicContact CE1-CE2 3.55Å; F27-F31 HydrophobicContact CE1-CZ 4.06Å; G29-F31 PolarHBondContact O-N 3.23Å; G29-F31 VanDerWaalsContact O-N 3.08Å; F31-F33 HydrophobicContact CE1-CB 4.11Å; F31-F33 HydrophobicContact CZ-CB 4.44Å; F31-L36 HydrophobicContact CE2-CB 4.23Å; F31-L36 HydrophobicContact CE2-CD1 3.81Å; F31-L36 HydrophobicContact CZ-CB 4.45Å; F31-L36 HydrophobicContact CZ-CD1 4.37Å
32	S	78.4	Confident	74	Confident	56 Å²	56	76.4 Å²	76.4	39%	0.392	41%	0.414	S	S	.	.			trans	-116.7	119	170.7	173.5	0	0	0	0	110.9	D34 A35 L36	S32-D34 VanDerWaalsContact C-N 3.33Å; S32-D34 PolarHBondContact OG-N 2.63Å; S32-A35 PolarHBondContact O-N 2.81Å; S32-A35 PolarHBondContact OG-N 2.55Å; S32-L36 PolarHBondContact O-N 3.01Å
33	F	76.9	Confident	74.1	Confident	128 Å²	128	83.1 Å²	83.1	56%	0.561	45%	0.45	S	S	*	.	H	α-helix	trans	-62.5	-40.7	175	178	-96.3	0	0	0	111.7	F31 A35 L36 F37	F31-F33 HydrophobicContact CE1-CB 4.11Å; F31-F33 HydrophobicContact CZ-CB 4.44Å; F33-A35 VanDerWaalsContact C-N 3.33Å; F33-A35 PolarHBondContact O-N 3.35Å; F33-L36 PolarHBondContact O-N 2.68Å; F33-F37 HydrophobicContact CE1-CB 4.2Å; F33-F37 HydrophobicContact CE1-CG 4.49Å; F33-F37 HydrophobicContact CZ-CB 4.45Å; F33-F37 HydrophobicContact CZ-CD2 4.33Å; F33-F37 VanDerWaalsContact O-CB 3.3Å; F33-F37 WeakPolarHBondContact O-CB 3.35Å; F33-F37 PolarHBondContact O-N 2.72Å
34	D	77.2	Confident	73.9	Confident	126 Å²	126	81.5 Å²	81.5	67%	0.674	44%	0.441	S	S	*	.	H	α-helix	trans	-64.9	-39.2	-178	-62.1	-36.9	0	0	0	111.6	S32 G38	S32-D34 VanDerWaalsContact C-N 3.33Å; S32-D34 PolarHBondContact OG-N 2.63Å; D34-G38 PolarHBondContact O-N 2.69Å
35	A	77.2	Confident	73.6	Confident	52 Å²	52	84.1 Å²	84.1	43%	0.43	46%	0.455	S	S	.	.	H	α-helix	trans	-65.4	-44.8	175.5	0	0	0	0	0	111.5	S32 F33 N39	S32-A35 PolarHBondContact O-N 2.81Å; S32-A35 PolarHBondContact OG-N 2.55Å; F33-A35 VanDerWaalsContact C-N 3.33Å; F33-A35 PolarHBondContact O-N 3.35Å; A35-N39 WeakPolarHBondContact O-CB 3.26Å; A35-N39 PolarHBondContact O-N 2.62Å; A35-N39 PolarHBondContact O-ND2 3.45Å
36	L	77.2	Confident	72.7	Confident	37 Å²	37	84.2 Å²	84.2	19%	0.194	46%	0.464	C	S	.	.	H	α-helix	trans	-63.8	-45.5	177	-176	138.1	0	0	0	111.3	L22 F27 F31 S32 F33 N39 L40	L22-L36 HydrophobicContact CD2-CD1 4.05Å; F27-L36 HydrophobicContact CE1-CD1 4.22Å; F27-L36 HydrophobicContact CZ-CD1 4Å; F31-L36 HydrophobicContact CE2-CB 4.23Å; F31-L36 HydrophobicContact CE2-CD1 3.81Å; F31-L36 HydrophobicContact CZ-CB 4.45Å; F31-L36 HydrophobicContact CZ-CD1 4.37Å; S32-L36 PolarHBondContact O-N 3.01Å; F33-L36 PolarHBondContact O-N 2.68Å; L36-N39 PolarHBondContact O-N 3.43Å; L36-L40 WeakPolarHBondContact O-CB 3.24Å; L36-L40 PolarHBondContact O-N 2.72Å
37	F	77.9	Confident	71.8	Confident	87 Å²	87	84.2 Å²	84.2	38%	0.382	47%	0.47	S	S	.	.	H	α-helix	trans	-63.4	-46.5	178.6	-178.3	-94.7	0	0	0	111.9	F33 N39 L40 V41 F96	F33-F37 HydrophobicContact CE1-CB 4.2Å; F33-F37 HydrophobicContact CE1-CG 4.49Å; F33-F37 HydrophobicContact CZ-CB 4.45Å; F33-F37 HydrophobicContact CZ-CD2 4.33Å; F33-F37 VanDerWaalsContact O-CB 3.3Å; F33-F37 WeakPolarHBondContact O-CB 3.35Å; F33-F37 PolarHBondContact O-N 2.72Å; F37-N39 PolarHBondContact O-N 3.16Å; F37-L40 WeakPolarHBondContact O-CB 3.34Å; F37-L40 PolarHBondContact O-N 2.7Å; F37-L40 VanDerWaalsContact O-N 3.15Å; F37-V41 HydrophobicContact CD1-CG2 4.44Å; F37-V41 HydrophobicContact CD2-CG2 4.27Å; F37-V41 HydrophobicContact CE1-CB 4.46Å; F37-V41 HydrophobicContact CE1-CG2 4.05Å; F37-V41 HydrophobicContact CE2-CG2 3.89Å; F37-V41 HydrophobicContact CZ-CG2 3.77Å; F37-V41 WeakPolarHBondContact O-CG2 3.5Å; F37-V41 PolarHBondContact O-N 2.56Å; F37-F96 HydrophobicContact CD2-CE1 4.25Å; F37-F96 HydrophobicContact CD2-CZ 4.49Å; F37-F96 AromaticContact CE2-CE1 3.78Å; F37-F96 HydrophobicContact CE2-CE1 3.78Å; F37-F96 AromaticContact CE2-CZ 3.63Å; F37-F96 HydrophobicContact CE2-CZ 3.63Å; F37-F96 HydrophobicContact CZ-CZ 4.25Å
38	G	74.8	Confident	70.2	Confident	18 Å²	18	90.5 Å²	90.5	19%	0.186	50%	0.498	C	S	.	.	H	α-helix	trans	-57.6	-48.8	176	0	0	0	0	0	111.6	D34 L40 V41 N42	D34-G38 PolarHBondContact O-N 2.69Å; G38-L40 PolarHBondContact O-N 2.79Å; G38-V41 PolarHBondContact O-N 2.82Å; G38-N42 WeakPolarHBondContact O-CB 3.47Å; G38-N42 PolarHBondContact O-N 2.88Å; G38-N42 PolarHBondContact O-ND2 2.74Å; G38-N42 PolarHBondContact O-OD1 2.68Å
39	N	75.3	Confident	68.8	Low	126 Å²	126	91.3 Å²	91.3	67%	0.674	51%	0.508	S	S	*	.	H	α-helix	trans	-61.4	-33.2	177.3	-70.8	-19.5	0	0	0	113	A35 L36 F37	A35-N39 WeakPolarHBondContact O-CB 3.26Å; A35-N39 PolarHBondContact O-N 2.62Å; A35-N39 PolarHBondContact O-ND2 3.45Å; L36-N39 PolarHBondContact O-N 3.43Å; F37-N39 PolarHBondContact O-N 3.16Å
40	L	73.6	Confident	67.2	Low	14 Å²	14	94.8 Å²	94.8	7%	0.073	51%	0.51	C	S	.	.	H	α-helix	trans	-67.6	-48.8	177.7	-147.9	102.3	0	0	0	110.8	L20 L36 F37 G38 L95 F96 A99	L20-L40 HydrophobicContact CD1-CD1 3.49Å; L20-L40 VanDerWaalsContact CD1-CD1 3.49Å; L20-L40 HydrophobicContact CD1-CG 3.69Å; L20-L40 HydrophobicContact CD2-CD1 3.52Å; L20-L40 HydrophobicContact CG-CD1 4.15Å; L36-L40 WeakPolarHBondContact O-CB 3.24Å; L36-L40 PolarHBondContact O-N 2.72Å; F37-L40 WeakPolarHBondContact O-CB 3.34Å; F37-L40 PolarHBondContact O-N 2.7Å; F37-L40 VanDerWaalsContact O-N 3.15Å; G38-L40 PolarHBondContact O-N 2.79Å; L40-L95 HydrophobicContact CB-CD2 4.33Å; L40-L95 HydrophobicContact CD2-CD2 3.51Å; L40-L95 HydrophobicContact CD2-CG 3.97Å; L40-L95 HydrophobicContact CG-CD2 3.64Å; L40-L95 HydrophobicContact CG-CG 4.1Å; L40-L95 WeakPolarHBondContact O-CD2 3.15Å; L40-F96 HydrophobicContact CD2-CD1 3.77Å; L40-F96 HydrophobicContact CD2-CE1 3.67Å; L40-A99 HydrophobicContact CD1-CB 4.07Å; L40-A99 HydrophobicContact CD2-CB 4.32Å
41	V	77.1	Confident	65.6	Low	5 Å²	5	95.6 Å²	95.6	3%	0.03	51%	0.508	C	S	.	.	H	α-helix	trans	-93.1	-27.6	-163.7	172.5	0	0	0	0	113.5	F37 G38 D43 L44 L45 L92 F96	F37-V41 HydrophobicContact CD1-CG2 4.44Å; F37-V41 HydrophobicContact CD2-CG2 4.27Å; F37-V41 HydrophobicContact CE1-CB 4.46Å; F37-V41 HydrophobicContact CE1-CG2 4.05Å; F37-V41 HydrophobicContact CE2-CG2 3.89Å; F37-V41 HydrophobicContact CZ-CG2 3.77Å; F37-V41 WeakPolarHBondContact O-CG2 3.5Å; F37-V41 PolarHBondContact O-N 2.56Å; G38-V41 PolarHBondContact O-N 2.82Å; V41-D43 PolarHBondContact O-N 3.24Å; V41-D43 VanDerWaalsContact O-N 3.11Å; V41-L44 PolarHBondContact O-N 3.34Å; V41-L45 HydrophobicContact CG1-CB 4.22Å; V41-L45 HydrophobicContact CG1-CD1 3.23Å; V41-L45 HydrophobicContact CG1-CG 3.56Å; V41-L45 PolarHBondContact O-N 3.39Å; V41-L92 HydrophobicContact CB-CD2 4.32Å; V41-L92 HydrophobicContact CG1-CD2 3.83Å; V41-L92 HydrophobicContact CG2-CD2 3.95Å; V41-F96 HydrophobicContact CG2-CE1 4.27Å; V41-F96 HydrophobicContact CG2-CZ 3.82Å
42	N	72.6	Confident	63.5	Low	110 Å²	110	100.3 Å²	100.3	59%	0.588	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-23.5	-171.2	-77.3	-16.5	0	0	0	114.8	G38 L44	G38-N42 WeakPolarHBondContact O-CB 3.47Å; G38-N42 PolarHBondContact O-N 2.88Å; G38-N42 PolarHBondContact O-ND2 2.74Å; G38-N42 PolarHBondContact O-OD1 2.68Å; N42-L44 VanDerWaalsContact C-N 3.34Å
43	D	69.2	Low	61.5	Low	159 Å²	159	101.8 Å²	101.8	85%	0.85	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-19.8	176.3	-80	-13.9	0	0	0	113	V41	V41-D43 PolarHBondContact O-N 3.24Å; V41-D43 VanDerWaalsContact O-N 3.11Å
44	L	66.9	Low	59.3	Low	53 Å²	53	104 Å²	104	28%	0.277	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.4	-28.3	-177.2	-84.1	156.2	0	0	0	113.5	V41 N42 P46 L92 L95	V41-L44 PolarHBondContact O-N 3.34Å; N42-L44 VanDerWaalsContact C-N 3.34Å; L44-P46 WeakPolarHBondContact O-CD 3.34Å; L44-L92 HydrophobicContact CB-CD2 4.37Å; L44-L92 HydrophobicContact CB-CG 4.23Å; L44-L92 HydrophobicContact CD1-CD2 4.44Å; L44-L92 HydrophobicContact CD1-CG 4.4Å; L44-L95 HydrophobicContact CD1-CB 4.12Å; L44-L95 HydrophobicContact CD1-CD1 4.29Å; L44-L95 HydrophobicContact CD1-CD2 3.84Å; L44-L95 HydrophobicContact CD1-CG 4.33Å
45	L	65.4	Low	57.4	Low	75 Å²	75	103.7 Å²	103.7	39%	0.393	57%	0.572	S	S	.	*	S	Bend	trans	-93.7	112.7	171	-68.5	-177.4	0	0	0	108.3	V41 S47 L92	V41-L45 HydrophobicContact CG1-CB 4.22Å; V41-L45 HydrophobicContact CG1-CD1 3.23Å; V41-L45 HydrophobicContact CG1-CG 3.56Å; V41-L45 PolarHBondContact O-N 3.39Å; L45-S47 PolarHBondContact O-N 3.44Å; L45-L92 HydrophobicContact CD2-CD1 3.81Å; L45-L92 HydrophobicContact CG-CD1 4.2Å
46	P	54.8	Low	55.1	Low	102 Å²	102	104.6 Å²	104.6	66%	0.662	59%	0.587	S	S	*	*			trans	-53.5	118.2	168.1	-19.2	30	0	0	0	107.7	L44 F48	L44-P46 WeakPolarHBondContact O-CD 3.34Å; P46-F48 PolarHBondContact O-N 2.74Å; P46-F48 VanDerWaalsContact O-N 3.11Å
47	S	49.9	Very low	52.8	Low	85 Å²	85	111 Å²	111	59%	0.594	62%	0.621	S	S	*	*			trans	-47.8	123.3	169.5	51.3	0	0	0	0	107.4	L45 L49	L45-S47 PolarHBondContact O-N 3.44Å; S47-L49 PolarHBondContact O-N 2.6Å
48	F	40.2	Very low	50.5	Low	201 Å²	201	110.4 Å²	110.4	88%	0.882	64%	0.64	S	S	*	*			trans	-56.1	90.4	172.6	-134.2	-96.4	0	0	0	106.9	P46 D50	P46-F48 PolarHBondContact O-N 2.74Å; P46-F48 VanDerWaalsContact O-N 3.11Å; F48-D50 PolarHBondContact O-N 3.04Å
49	L	39.7	Very low	48.2	Very low	142 Å²	142	119.2 Å²	119.2	74%	0.743	68%	0.675	S	S	*	*			trans	-86.6	104.2	177.6	-79.7	168	0	0	0	105.2	S47 E51	S47-L49 PolarHBondContact O-N 2.6Å; L49-E51 PolarHBondContact O-N 3.41Å
50	D	39	Very low	46.1	Very low	142 Å²	142	116.9 Å²	116.9	76%	0.759	68%	0.682	S	S	*	*			trans	-52.9	109.7	166.9	-73.7	-44.9	0	0	0	108.3	F48 E52	F48-D50 PolarHBondContact O-N 3.04Å; D50-E52 VanDerWaalsContact C-N 3.25Å; D50-E52 PolarHBondContact O-N 3.21Å
51	E	37.8	Very low	43.8	Very low	194 Å²	194	123.6 Å²	123.6	91%	0.907	72%	0.718	S	S	*	*			trans	-70.1	81.4	173.6	-74.7	-164.5	150.9	0	0	109.8	L49	L49-E51 PolarHBondContact O-N 3.41Å
52	E	32.7	Very low	41.4	Very low	195 Å²	195	130.5 Å²	130.5	91%	0.911	75%	0.753	S	S	*	*			trans	-96.8	78.9	153.3	-73.7	-171.4	165.5	0	0	108	D50	D50-E52 VanDerWaalsContact C-N 3.25Å; D50-E52 PolarHBondContact O-N 3.21Å
53	A	35.7	Very low	39.3	Very low	87 Å²	87	129.5 Å²	129.5	72%	0.719	76%	0.76	S	S	*	*			trans	-104.2	110.9	173.4	0	0	0	0	0	110.6	S55	A53-S55 PolarHBondContact O-N 2.83Å
54	D	31.6	Very low	37.2	Very low	175 Å²	175	125.6 Å²	125.6	94%	0.936	76%	0.757	S	S	*	*			trans	-26.5	119	165.6	-89.2	-39.4	0	0	0	115.5
55	S	36.1	Very low	35.5	Very low	118 Å²	118	129.8 Å²	129.8	83%	0.825	78%	0.784	S	S	*	*			trans	-137.1	107.7	153.8	61.1	0	0	0	0	109.6	A53	A53-S55 PolarHBondContact O-N 2.83Å
56	G	29.6	Very low	33.6	Very low	72 Å²	72	134.3 Å²	134.3	74%	0.742	81%	0.809	S	S	*	*			trans	-75.3	163.8	179.2	0	0	0	0	0	115
57	D	28.8	Very low	32.4	Very low	171 Å²	171	132 Å²	132	91%	0.914	80%	0.804	S	S	*	*			trans	60.9	102.6	159.3	-72.6	-18.9	0	0	0	119.9
58	G	30.2	Very low	31.4	Very low	74 Å²	74	136.9 Å²	136.9	76%	0.763	82%	0.822	S	S	*	*			trans	174.2	92.9	159.2	0	0	0	0	0	113.4	G60	G58-G60 PolarHBondContact O-N 3.39Å
59	H	26	Very low	30.8	Very low	203 Å²	203	133.4 Å²	133.4	94%	0.94	82%	0.818	S	S	*	*			trans	-57.9	127.5	176.7	-74.2	56.2	0	0	0	112.5
60	G	30.5	Very low	30.2	Very low	78 Å²	78	134.9 Å²	134.9	80%	0.804	83%	0.826	S	S	*	*			trans	-170.7	111.1	173	0	0	0	0	0	112.4	G58	G58-G60 PolarHBondContact O-N 3.39Å
61	N	25.8	Very low	29.6	Very low	155 Å²	155	130.9 Å²	130.9	83%	0.829	82%	0.818	S	S	*	*			trans	-64	144.6	-171.5	-106	-5	0	0	0	116.6
62	I	27.3	Very low	29.2	Very low	149 Å²	149	130.8 Å²	130.8	76%	0.764	82%	0.817	S	S	*	*			trans	91.6	124.9	138.8	-63.1	161.2	0	0	0	120.5
63	A	27.7	Very low	29.2	Very low	90 Å²	90	130 Å²	130	74%	0.744	82%	0.818	S	S	*	*			trans	82.7	112.7	150.5	0	0	0	0	0	118.7
64	G	25.9	Very low	28.8	Very low	77 Å²	77	137.9 Å²	137.9	79%	0.794	83%	0.83	S	S	*	*			trans	-66.7	151.2	174.6	0	0	0	0	0	114
65	V	29.9	Very low	28.7	Very low	140 Å²	140	132.8 Å²	132.8	85%	0.848	82%	0.818	S	S	*	*			trans	-141.9	102.7	159	178.1	0	0	0	0	106.5
66	D	25.9	Very low	28.3	Very low	170 Å²	170	135.8 Å²	135.8	91%	0.909	82%	0.82	S	S	*	*			trans	-56.1	135.4	154.6	-80.8	-45.4	0	0	0	109.2
67	G	30.3	Very low	28.2	Very low	53 Å²	53	138.1 Å²	138.1	55%	0.546	83%	0.825	S	S	.	*			trans	157.9	66.6	170.5	0	0	0	0	0	114.4	T69	G67-T69 VanDerWaalsContact C-N 3.31Å; G67-T69 PolarHBondContact O-N 3.04Å; G67-T69 PolarHBondContact O-OG1 3Å
68	L	28.1	Very low	28.4	Very low	188 Å²	188	133.9 Å²	133.9	98%	0.984	81%	0.813	S	S	*	*			trans	-55.4	95.4	161.6	-73	165.8	0	0	0	108.9
69	T	27.3	Very low	28.8	Very low	129 Å²	129	136.6 Å²	136.6	79%	0.791	82%	0.818	S	S	*	*			trans	-101.5	97.4	175.1	36.9	0	0	0	0	108	G67 G71	G67-T69 VanDerWaalsContact C-N 3.31Å; G67-T69 PolarHBondContact O-N 3.04Å; G67-T69 PolarHBondContact O-OG1 3Å; T69-G71 PolarHBondContact O-N 3.47Å
70	N	29	Very low	29.3	Very low	173 Å²	173	135.2 Å²	135.2	93%	0.925	82%	0.816	S	S	*	*			trans	-64.5	86.5	163.2	-92.7	-16	0	0	0	108.6
71	G	26.6	Very low	29.8	Very low	57 Å²	57	136.7 Å²	136.7	59%	0.588	81%	0.814	S	S	*	*			trans	-111.9	103.8	179.9	0	0	0	0	0	111.1	T69 L73	T69-G71 PolarHBondContact O-N 3.47Å; G71-L73 PolarHBondContact O-N 2.97Å
72	H	28	Very low	30.7	Very low	192 Å²	192	135.2 Å²	135.2	89%	0.889	82%	0.816	S	S	*	*			trans	-40.7	104.3	169.5	-76.3	-98.5	0	0	0	113.3	R74	H72-R74 PolarHBondContact O-N 3.43Å
73	L	33	Very low	31.6	Very low	178 Å²	178	131.8 Å²	131.8	93%	0.932	81%	0.81	S	S	*	*			trans	-82.2	97.2	165.9	-75	174.1	0	0	0	109.8	G71 G75	G71-L73 PolarHBondContact O-N 2.97Å; L73-G75 PolarHBondContact O-N 3.12Å; L73-G75 VanDerWaalsContact O-N 3.11Å
74	R	27.5	Very low	32.6	Very low	253 Å²	253	131.6 Å²	131.6	96%	0.955	80%	0.801	S	S	*	*			trans	-68.7	92.4	167.3	-174.5	175.9	175.9	170.8	-1.4	109.1	H72	H72-R74 PolarHBondContact O-N 3.43Å
75	G	28.9	Very low	34.1	Very low	68 Å²	68	138 Å²	138	70%	0.701	81%	0.807	S	S	*	*			trans	-125.2	95.7	176.9	0	0	0	0	0	112.5	L73	L73-G75 PolarHBondContact O-N 3.12Å; L73-G75 VanDerWaalsContact O-N 3.11Å
76	Q	28	Very low	35.8	Very low	182 Å²	182	137.4 Å²	137.4	85%	0.85	79%	0.794	S	S	*	*			trans	30.4	101.4	148.2	-60.3	-179.2	23.2	0	0	119.8
77	S	27.7	Very low	37.6	Very low	121 Å²	121	133 Å²	133	85%	0.846	77%	0.774	S	S	*	*				36.6	89.3	128	50.6	0	0	0	0	119.2
78	A	32.6	Very low	39.6	Very low	82 Å²	82	133.5 Å²	133.5	68%	0.678	76%	0.762	S	S	*	*			trans	-136.6	144.8	143.7	0	0	0	0	0	107.7	L80	A78-L80 PolarHBondContact O-N 2.73Å
79	P	38.8	Very low	41.9	Very low	131 Å²	131	128.4 Å²	128.4	85%	0.851	74%	0.739	S	S	*	*			trans	-70	118.8	-160.6	29.2	-34.3	0	0	0	111	S81	P79-S81 PolarHBondContact O-N 3.28Å
80	L	37.4	Very low	44.3	Very low	174 Å²	174	127.4 Å²	127.4	91%	0.911	73%	0.728	S	S	*	*			trans	-64.6	101.9	179.9	-69.9	163.2	0	0	0	109.8	A78 S82	A78-L80 PolarHBondContact O-N 2.73Å; L80-S82 PolarHBondContact O-N 2.89Å
81	S	40.9	Very low	46.7	Very low	109 Å²	109	120.4 Å²	120.4	76%	0.762	70%	0.698	S	S	*	*			trans	-55.5	123.7	160	-179.9	0	0	0	0	108.3	P79 A83	P79-S81 PolarHBondContact O-N 3.28Å; S81-A83 VanDerWaalsContact C-N 3.34Å; S81-A83 PolarHBondContact O-N 3.13Å
82	S	43.6	Very low	49.2	Very low	123 Å²	123	118.9 Å²	118.9	86%	0.86	68%	0.676	S	S	*	*			trans	-63.3	87.2	178	52.9	0	0	0	0	111	L80	L80-S82 PolarHBondContact O-N 2.89Å
83	A	47.4	Very low	51.7	Low	77 Å²	77	114 Å²	114	64%	0.636	66%	0.656	S	S	*	*			trans	-110.3	131.1	164.3	0	0	0	0	0	108.3	S81	S81-A83 VanDerWaalsContact C-N 3.34Å; S81-A83 PolarHBondContact O-N 3.13Å
84	P	48.3	Very low	54	Low	86 Å²	86	108.5 Å²	108.5	56%	0.558	63%	0.632	S	S	*	*			trans	-64.5	143.9	-179.5	25.7	-31.5	0	0	0	110.8	F86	P84-F86 PolarHBondContact O-N 3.47Å
85	F	56.8	Low	56.7	Low	212 Å²	212	97.9 Å²	97.9	93%	0.93	59%	0.594	S	S	*	*	S	Bend	trans	-62.5	-13.5	-173.3	-97	-92.8	0	0	0	115
86	F	65	Low	59.2	Low	128 Å²	128	98.2 Å²	98.2	56%	0.561	58%	0.577	S	S	*	*			trans	-155.4	78.9	-177.9	-125.5	-88.4	0	0	0	109.9	P84 E88 V89	P84-F86 PolarHBondContact O-N 3.47Å; F86-E88 HydrophobicContact CD1-CB 4.26Å; F86-E88 VanDerWaalsContact CD1-OE2 3.25Å; F86-E88 WeakPolarHBondContact CD1-OE2 3.41Å; F86-E88 PolarHBondContact O-N 3.34Å; F86-E88 VanDerWaalsContact O-N 3.15Å; F86-V89 HydrophobicContact CB-CG2 3.97Å; F86-V89 HydrophobicContact CD1-CG2 4.27Å; F86-V89 PolarHBondContact O-N 2.64Å
87	P	65.6	Low	61.9	Low	78 Å²	78	95.8 Å²	95.8	51%	0.506	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61	-19.4	-177.2	24.1	-32.5	0	0	0	113.8	V89 D90	P87-V89 PolarHBondContact O-N 2.78Å; P87-D90 PolarHBondContact O-N 3.37Å
88	E	72.3	Confident	64.6	Low	63 Å²	63	93.9 Å²	93.9	29%	0.294	54%	0.544	S	S	.	.	H	α-helix	trans	-65.4	-25.1	178.1	-59.6	74.6	-165.1	0	0	112.6	F86 D90 G91 L92	F86-E88 HydrophobicContact CD1-CB 4.26Å; F86-E88 VanDerWaalsContact CD1-OE2 3.25Å; F86-E88 WeakPolarHBondContact CD1-OE2 3.41Å; F86-E88 PolarHBondContact O-N 3.34Å; F86-E88 VanDerWaalsContact O-N 3.15Å; E88-D90 VanDerWaalsContact C-N 3.3Å; E88-D90 PolarHBondContact O-N 2.66Å; E88-G91 PolarHBondContact O-N 2.83Å; E88-G91 VanDerWaalsContact O-N 3.14Å; E88-L92 PolarHBondContact O-N 3.47Å
89	V	75.5	Confident	67	Low	81 Å²	81	90.4 Å²	90.4	49%	0.491	51%	0.514	S	S	.	.	H	α-helix	trans	-61.7	-39.5	179.7	173.5	0	0	0	0	111.4	F86 P87 G91 L92 L93	F86-V89 HydrophobicContact CB-CG2 3.97Å; F86-V89 HydrophobicContact CD1-CG2 4.27Å; F86-V89 PolarHBondContact O-N 2.64Å; P87-V89 PolarHBondContact O-N 2.78Å; V89-G91 VanDerWaalsContact C-N 3.31Å; V89-G91 PolarHBondContact O-N 2.77Å; V89-L92 PolarHBondContact O-N 2.8Å; V89-L93 WeakPolarHBondContact O-CB 3.09Å; V89-L93 PolarHBondContact O-N 3.42Å
90	D	77.8	Confident	69.1	Low	107 Å²	107	87.9 Å²	87.9	57%	0.572	50%	0.499	S	S	*	.	H	α-helix	trans	-67.5	-35.6	177.7	-72.3	-36.1	0	0	0	111.2	P87 E88 S94	P87-D90 PolarHBondContact O-N 3.37Å; E88-D90 VanDerWaalsContact C-N 3.3Å; E88-D90 PolarHBondContact O-N 2.66Å; D90-S94 PolarHBondContact O-N 2.79Å
91	G	79.4	Confident	71.5	Confident	27 Å²	27	86.3 Å²	86.3	28%	0.278	49%	0.485	S	S	.	.	H	α-helix	trans	-64	-47.6	173	0	0	0	0	0	112.4	E88 V89 S94 L95	E88-G91 PolarHBondContact O-N 2.83Å; E88-G91 VanDerWaalsContact O-N 3.14Å; V89-G91 VanDerWaalsContact C-N 3.31Å; V89-G91 PolarHBondContact O-N 2.77Å; G91-S94 PolarHBondContact O-N 3.21Å; G91-L95 WeakPolarHBondContact O-CB 3.06Å; G91-L95 PolarHBondContact O-N 3.35Å
92	L	78.9	Confident	73.6	Confident	25 Å²	25	83.7 Å²	83.7	13%	0.131	46%	0.461	C	S	.	.	H	α-helix	trans	-62.5	-43.3	176.2	-83.3	158.6	0	0	0	112.6	V41 L44 L45 E88 V89 S94 L95 F96	V41-L92 HydrophobicContact CB-CD2 4.32Å; V41-L92 HydrophobicContact CG1-CD2 3.83Å; V41-L92 HydrophobicContact CG2-CD2 3.95Å; L44-L92 HydrophobicContact CB-CD2 4.37Å; L44-L92 HydrophobicContact CB-CG 4.23Å; L44-L92 HydrophobicContact CD1-CD2 4.44Å; L44-L92 HydrophobicContact CD1-CG 4.4Å; L45-L92 HydrophobicContact CD2-CD1 3.81Å; L45-L92 HydrophobicContact CG-CD1 4.2Å; E88-L92 PolarHBondContact O-N 3.47Å; V89-L92 PolarHBondContact O-N 2.8Å; L92-S94 VanDerWaalsContact C-N 3.32Å; L92-S94 PolarHBondContact O-N 2.94Å; L92-L95 WeakPolarHBondContact O-CB 3.39Å; L92-L95 PolarHBondContact O-N 3.3Å; L92-F96 HydrophobicContact CB-CE2 4.35Å; L92-F96 HydrophobicContact CD2-CE2 4.02Å; L92-F96 HydrophobicContact CD2-CZ 4.38Å; L92-F96 WeakPolarHBondContact O-CD2 3.31Å; L92-F96 PolarHBondContact O-N 2.8Å
93	L	79.7	Confident	75.5	Confident	90 Å²	90	81.4 Å²	81.4	47%	0.471	44%	0.439	S	S	.	.	H	α-helix	trans	-63	-40.6	178.3	-169.8	78.6	0	0	0	111.3	V89 K97	V89-L93 WeakPolarHBondContact O-CB 3.09Å; V89-L93 PolarHBondContact O-N 3.42Å; L93-K97 WeakPolarHBondContact O-CB 3.02Å; L93-K97 WeakPolarHBondContact O-CG 3.25Å; L93-K97 PolarHBondContact O-N 3.45Å; L93-K97 VanDerWaalsContact O-N 3.13Å
94	S	82.8	Confident	77.5	Confident	62 Å²	62	81.5 Å²	81.5	43%	0.434	43%	0.431	S	S	.	.	H	α-helix	trans	-62.7	-47.9	174.6	-166.5	0	0	0	0	110.9	D90 G91 L92 F96 K97 D98	D90-S94 PolarHBondContact O-N 2.79Å; G91-S94 PolarHBondContact O-N 3.21Å; L92-S94 VanDerWaalsContact C-N 3.32Å; L92-S94 PolarHBondContact O-N 2.94Å; S94-F96 PolarHBondContact O-N 3.48Å; S94-K97 WeakPolarHBondContact O-CB 2.85Å; S94-K97 PolarHBondContact O-N 3.03Å; S94-D98 VanDerWaalsContact O-CG 3.32Å; S94-D98 PolarHBondContact O-N 3.16Å
95	L	83.2	Confident	79.3	Confident	29 Å²	29	80.5 Å²	80.5	15%	0.152	42%	0.421	C	S	.	.	H	α-helix	trans	-57.8	-47.2	179.6	-171.3	86.5	0	0	0	112.5	L20 L40 L44 G91 L92 K97 D98 A99	L20-L95 HydrophobicContact CD1-CD1 3.61Å; L20-L95 HydrophobicContact CD1-CG 4.24Å; L40-L95 HydrophobicContact CB-CD2 4.33Å; L40-L95 HydrophobicContact CD2-CD2 3.51Å; L40-L95 HydrophobicContact CD2-CG 3.97Å; L40-L95 HydrophobicContact CG-CD2 3.64Å; L40-L95 HydrophobicContact CG-CG 4.1Å; L40-L95 WeakPolarHBondContact O-CD2 3.15Å; L44-L95 HydrophobicContact CD1-CB 4.12Å; L44-L95 HydrophobicContact CD1-CD1 4.29Å; L44-L95 HydrophobicContact CD1-CD2 3.84Å; L44-L95 HydrophobicContact CD1-CG 4.33Å; G91-L95 WeakPolarHBondContact O-CB 3.06Å; G91-L95 PolarHBondContact O-N 3.35Å; L92-L95 WeakPolarHBondContact O-CB 3.39Å; L92-L95 PolarHBondContact O-N 3.3Å; L95-K97 VanDerWaalsContact C-N 3.34Å; L95-K97 PolarHBondContact O-N 3.12Å; L95-D98 PolarHBondContact O-N 2.9Å; L95-A99 WeakPolarHBondContact O-CB 3.03Å; L95-A99 PolarHBondContact O-N 3.39Å
96	F	81.7	Confident	80.8	Confident	76 Å²	76	71.4 Å²	71.4	33%	0.333	38%	0.382	S	S	.	.	H	α-helix	trans	-65	-38.1	177.7	-74.1	-54.4	0	0	0	112.2	F37 L40 V41 L92 S94 D98 C100	F37-F96 HydrophobicContact CD2-CE1 4.25Å; F37-F96 HydrophobicContact CD2-CZ 4.49Å; F37-F96 AromaticContact CE2-CE1 3.78Å; F37-F96 HydrophobicContact CE2-CE1 3.78Å; F37-F96 AromaticContact CE2-CZ 3.63Å; F37-F96 HydrophobicContact CE2-CZ 3.63Å; F37-F96 HydrophobicContact CZ-CZ 4.25Å; L40-F96 HydrophobicContact CD2-CD1 3.77Å; L40-F96 HydrophobicContact CD2-CE1 3.67Å; V41-F96 HydrophobicContact CG2-CE1 4.27Å; V41-F96 HydrophobicContact CG2-CZ 3.82Å; L92-F96 HydrophobicContact CB-CE2 4.35Å; L92-F96 HydrophobicContact CD2-CE2 4.02Å; L92-F96 HydrophobicContact CD2-CZ 4.38Å; L92-F96 WeakPolarHBondContact O-CD2 3.31Å; L92-F96 PolarHBondContact O-N 2.8Å; S94-F96 PolarHBondContact O-N 3.48Å; F96-D98 VanDerWaalsContact C-N 3.34Å; F96-C100 WeakPolarHBondContact O-CB 3.43Å; F96-C100 PolarHBondContact O-N 3.46Å; F96-C100 PolarHBondContact O-SG 3.25Å
97	K	84.5	Confident	81.8	Confident	130 Å²	130	73.7 Å²	73.7	57%	0.565	39%	0.387	S	S	*	.	H	α-helix	trans	-62.9	-42.3	175.2	-78.8	175.1	179.4	173.1	0	111.7	L93 S94 L95 K101	L93-K97 WeakPolarHBondContact O-CB 3.02Å; L93-K97 WeakPolarHBondContact O-CG 3.25Å; L93-K97 PolarHBondContact O-N 3.45Å; L93-K97 VanDerWaalsContact O-N 3.13Å; S94-K97 WeakPolarHBondContact O-CB 2.85Å; S94-K97 PolarHBondContact O-N 3.03Å; L95-K97 VanDerWaalsContact C-N 3.34Å; L95-K97 PolarHBondContact O-N 3.12Å; K97-K101 WeakPolarHBondContact O-CB 3.03Å; K97-K101 PolarHBondContact O-N 3.11Å; K97-K101 VanDerWaalsContact O-N 3.09Å
98	D	85	Confident	83	Confident	82 Å²	82	76 Å²	76	44%	0.439	39%	0.389	S	S	.	.	H	α-helix	trans	-66.6	-47.8	178.5	-67.5	-28.1	0	0	0	110.7	S94 L95 F96 C100 K101 E102	S94-D98 VanDerWaalsContact O-CG 3.32Å; S94-D98 PolarHBondContact O-N 3.16Å; L95-D98 PolarHBondContact O-N 2.9Å; F96-D98 VanDerWaalsContact C-N 3.34Å; D98-C100 PolarHBondContact O-N 3.33Å; D98-K101 WeakPolarHBondContact O-CB 3.32Å; D98-K101 PolarHBondContact O-N 3.27Å; D98-K101 VanDerWaalsContact O-N 3.09Å; D98-E102 PolarHBondContact O-N 3.46Å
99	A	81.5	Confident	83.7	Confident	8 Å²	8	78.3 Å²	78.3	7%	0.066	40%	0.4	C	S	.	.	H	α-helix	trans	-59.8	-43.1	176.5	0	0	0	0	0	112.8	L22 L40 L95 K101 E102 L103	L22-A99 HydrophobicContact CD1-CB 4.5Å; L40-A99 HydrophobicContact CD1-CB 4.07Å; L40-A99 HydrophobicContact CD2-CB 4.32Å; L95-A99 WeakPolarHBondContact O-CB 3.03Å; L95-A99 PolarHBondContact O-N 3.39Å; A99-K101 VanDerWaalsContact C-N 3.3Å; A99-K101 PolarHBondContact O-N 3.44Å; A99-E102 PolarHBondContact O-N 3.29Å; A99-L103 WeakPolarHBondContact O-CG 3.38Å; A99-L103 PolarHBondContact O-N 3.12Å
100	C	84.5	Confident	84.2	Confident	78 Å²	78	77.8 Å²	77.8	53%	0.527	40%	0.396	S	S	.	.	H	α-helix	trans	-61.1	-40	174.9	-76.1	0	0	0	0	112.1	F96 D98 V104	F96-C100 WeakPolarHBondContact O-CB 3.43Å; F96-C100 PolarHBondContact O-N 3.46Å; F96-C100 PolarHBondContact O-SG 3.25Å; D98-C100 PolarHBondContact O-N 3.33Å; C100-V104 WeakPolarHBondContact O-CG2 3.15Å; C100-V104 PolarHBondContact O-N 3.48Å
101	K	86.9	Confident	84.8	Confident	141 Å²	141	75.8 Å²	75.8	61%	0.613	39%	0.386	S	S	*	.	H	α-helix	trans	-66.2	-43.3	178.7	-171.5	-178.6	177.3	-173.3	0	111.1	K97 D98 A99 V104 D105	K97-K101 WeakPolarHBondContact O-CB 3.03Å; K97-K101 PolarHBondContact O-N 3.11Å; K97-K101 VanDerWaalsContact O-N 3.09Å; D98-K101 WeakPolarHBondContact O-CB 3.32Å; D98-K101 PolarHBondContact O-N 3.27Å; D98-K101 VanDerWaalsContact O-N 3.09Å; A99-K101 VanDerWaalsContact C-N 3.3Å; A99-K101 PolarHBondContact O-N 3.44Å; K101-V104 PolarHBondContact O-N 3.48Å; K101-D105 PolarHBondContact O-N 3.14Å; K101-D105 VanDerWaalsContact O-N 3.08Å
102	E	84.9	Confident	85.5	Confident	55 Å²	55	76.1 Å²	76.1	26%	0.257	39%	0.389	S	S	.	.	H	α-helix	trans	-64.5	-43.2	176.7	-69.6	-150.6	163.6	0	0	112.8	I21 L22 D98 A99 V104 D105 L106	I21-E102 WeakPolarHBondContact CA-OE2 3.1Å; L22-E102 HydrophobicContact CD1-CB 4.32Å; L22-E102 PolarHBondContact N-OE2 2.85Å; D98-E102 PolarHBondContact O-N 3.46Å; A99-E102 PolarHBondContact O-N 3.29Å; E102-V104 PolarHBondContact O-N 3.07Å; E102-D105 CarbonylContact O-C 3.59Å; E102-D105 PolarHBondContact O-N 3.49Å; E102-L106 WeakPolarHBondContact O-CB 2.83Å; E102-L106 PolarHBondContact O-N 3.44Å
103	L	84.6	Confident	85.9	Confident	75 Å²	75	82.3 Å²	82.3	39%	0.393	41%	0.41	S	S	.	.	H	α-helix	trans	-57.5	-39.1	174.8	-78.4	170.1	0	0	0	112.3	L22 F27 A99 R107	L22-L103 HydrophobicContact CD1-CD2 4.07Å; L22-L103 HydrophobicContact CD1-CG 3.82Å; F27-L103 HydrophobicContact CE1-CD2 4.07Å; F27-L103 HydrophobicContact CE2-CD2 4.32Å; F27-L103 HydrophobicContact CZ-CD2 3.55Å; A99-L103 WeakPolarHBondContact O-CG 3.38Å; A99-L103 PolarHBondContact O-N 3.12Å; L103-R107 WeakPolarHBondContact O-CB 3.48Å; L103-R107 PolarHBondContact O-N 2.76Å
104	V	87.5	Confident	86.4	Confident	78 Å²	78	82 Å²	82	47%	0.473	41%	0.409	S	S	.	.	H	α-helix	trans	-66	-40.1	175.7	169.3	0	0	0	0	111.4	C100 K101 E102 K108	C100-V104 WeakPolarHBondContact O-CG2 3.15Å; C100-V104 PolarHBondContact O-N 3.48Å; K101-V104 PolarHBondContact O-N 3.48Å; E102-V104 PolarHBondContact O-N 3.07Å; V104-K108 WeakPolarHBondContact O-CG 3.08Å; V104-K108 PolarHBondContact O-N 3.37Å; V104-K108 VanDerWaalsContact O-N 3.14Å
105	D	87.9	Confident	86.9	Confident	66 Å²	66	83.3 Å²	83.3	35%	0.353	41%	0.411	S	S	.	.	H	α-helix	trans	-73.1	-37.3	178.5	-74.1	-19.8	0	0	0	112.1	K101 E102 R107 K108 Q109	K101-D105 PolarHBondContact O-N 3.14Å; K101-D105 VanDerWaalsContact O-N 3.08Å; E102-D105 CarbonylContact O-C 3.59Å; E102-D105 PolarHBondContact O-N 3.49Å; D105-R107 VanDerWaalsContact C-N 3.35Å; D105-K108 WeakPolarHBondContact O-CB 2.84Å; D105-K108 PolarHBondContact O-N 2.72Å; D105-K108 IonicContact OD1-NZ 3.27Å; D105-K108 PolarHBondContact OD1-NZ 2.9Å; D105-Q109 WeakPolarHBondContact O-CG 3.07Å; D105-Q109 PolarHBondContact O-N 3.08Å
106	L	86.6	Confident	87.3	Confident	21 Å²	21	85.5 Å²	85.5	11%	0.11	43%	0.426	C	S	.	.	H	α-helix	trans	-61.4	-45	173.3	-154.6	77.5	0	0	0	110.8	I24 F27 E102 K108 Q109 V110	I24-L106 HydrophobicContact CB-CD1 4.33Å; I24-L106 HydrophobicContact CD1-CD1 4.45Å; I24-L106 HydrophobicContact CG1-CD1 3.93Å; I24-L106 HydrophobicContact CG1-CD2 4.16Å; I24-L106 HydrophobicContact CG1-CG 3.89Å; F27-L106 HydrophobicContact CD2-CD2 3.54Å; F27-L106 HydrophobicContact CE2-CD2 3.45Å; F27-L106 VanDerWaalsContact CE2-CD2 3.45Å; F27-L106 HydrophobicContact CZ-CD2 4.43Å; E102-L106 WeakPolarHBondContact O-CB 2.83Å; E102-L106 PolarHBondContact O-N 3.44Å; L106-K108 VanDerWaalsContact C-N 3.33Å; L106-K108 PolarHBondContact O-N 3.18Å; L106-Q109 WeakPolarHBondContact O-CB 3.44Å; L106-Q109 PolarHBondContact O-N 3.36Å; L106-Q109 VanDerWaalsContact O-N 3.1Å; L106-V110 WeakPolarHBondContact O-CG2 3.28Å; L106-V110 PolarHBondContact O-N 2.78Å
107	R	86.6	Confident	87.8	Confident	176 Å²	176	87 Å²	87	66%	0.664	44%	0.437	S	S	*	.	H	α-helix	trans	-55.6	-46.7	172.7	179.8	-177.4	171	-148.8	-0.8	111.8	L103 D105 Q109 V110 D111	L103-R107 WeakPolarHBondContact O-CB 3.48Å; L103-R107 PolarHBondContact O-N 2.76Å; D105-R107 VanDerWaalsContact C-N 3.35Å; R107-Q109 VanDerWaalsContact C-N 3.3Å; R107-Q109 PolarHBondContact O-N 2.72Å; R107-V110 PolarHBondContact O-N 2.66Å; R107-D111 IonicContact NE-OD2 3.16Å; R107-D111 WeakPolarHBondContact O-CB 3.27Å; R107-D111 PolarHBondContact O-N 3.09Å
108	K	90.4	Very high	88.2	Confident	126 Å²	126	87 Å²	87	55%	0.548	44%	0.437	S	S	.	.	H	α-helix	trans	-61.2	-37.7	176.9	-70.1	173.1	-162.7	152	0	112.2	V104 D105 L106 G112	V104-K108 WeakPolarHBondContact O-CG 3.08Å; V104-K108 PolarHBondContact O-N 3.37Å; V104-K108 VanDerWaalsContact O-N 3.14Å; D105-K108 WeakPolarHBondContact O-CB 2.84Å; D105-K108 PolarHBondContact O-N 2.72Å; D105-K108 IonicContact OD1-NZ 3.27Å; D105-K108 PolarHBondContact OD1-NZ 2.9Å; L106-K108 VanDerWaalsContact C-N 3.33Å; L106-K108 PolarHBondContact O-N 3.18Å; K108-G112 PolarHBondContact O-N 2.73Å
109	Q	88.3	Confident	88.6	Confident	112 Å²	112	90.5 Å²	90.5	52%	0.523	45%	0.448	S	S	.	.	H	α-helix	trans	-66.1	-43.8	176.7	-69.6	-178.1	39.7	0	0	111.8	D105 L106 R107 G112 R113	D105-Q109 WeakPolarHBondContact O-CG 3.07Å; D105-Q109 PolarHBondContact O-N 3.08Å; L106-Q109 WeakPolarHBondContact O-CB 3.44Å; L106-Q109 PolarHBondContact O-N 3.36Å; L106-Q109 VanDerWaalsContact O-N 3.1Å; R107-Q109 VanDerWaalsContact C-N 3.3Å; R107-Q109 PolarHBondContact O-N 2.72Å; Q109-G112 PolarHBondContact O-N 2.96Å; Q109-R113 PolarHBondContact O-N 3.42Å
110	V	86.3	Confident	89.2	Confident	69 Å²	69	95.4 Å²	95.4	42%	0.418	47%	0.469	S	S	.	.	H	α-helix	trans	-61.3	-47.1	175.1	176	0	0	0	0	110.5	I24 L106 R107 G112 R113 L114	I24-V110 HydrophobicContact CD1-CG2 3.56Å; I24-V110 HydrophobicContact CG1-CG2 3.91Å; L106-V110 WeakPolarHBondContact O-CG2 3.28Å; L106-V110 PolarHBondContact O-N 2.78Å; R107-V110 PolarHBondContact O-N 2.66Å; V110-G112 VanDerWaalsContact C-N 3.28Å; V110-G112 PolarHBondContact O-N 3.36Å; V110-R113 PolarHBondContact O-N 2.95Å; V110-L114 WeakPolarHBondContact O-CB 3.17Å; V110-L114 PolarHBondContact O-N 3.34Å
111	D	90.2	Very high	89.6	Confident	66 Å²	66	96.2 Å²	96.2	35%	0.353	47%	0.472	S	S	.	.	H	α-helix	trans	-60.5	-38.8	177	-73.6	-26.2	0	0	0	111.5	R107 L114 N115	R107-D111 IonicContact NE-OD2 3.16Å; R107-D111 WeakPolarHBondContact O-CB 3.27Å; R107-D111 PolarHBondContact O-N 3.09Å; D111-L114 PolarHBondContact O-N 3.4Å; D111-N115 WeakPolarHBondContact O-CB 3.38Å; D111-N115 VanDerWaalsContact O-CG 3.25Å; D111-N115 PolarHBondContact O-N 3.21Å; D111-N115 PolarHBondContact O-ND2 3.05Å; D111-N115 VanDerWaalsContact O-ND2 3.08Å
112	G	92.7	Very high	89.9	Confident	33 Å²	33	93.2 Å²	93.2	34%	0.34	47%	0.468	S	S	.	.	H	α-helix	trans	-62.8	-46	173.7	0	0	0	0	0	113.2	K108 Q109 V110 N115 T116	K108-G112 PolarHBondContact O-N 2.73Å; Q109-G112 PolarHBondContact O-N 2.96Å; V110-G112 VanDerWaalsContact C-N 3.28Å; V110-G112 PolarHBondContact O-N 3.36Å; G112-N115 PolarHBondContact O-N 3.04Å; G112-T116 PolarHBondContact O-N 3.31Å; G112-T116 PolarHBondContact O-OG1 3.21Å
113	R	88.9	Confident	90.3	Very high	156 Å²	156	94 Å²	94	59%	0.589	48%	0.477	S	S	*	.	H	α-helix	trans	-62.2	-45.4	174.9	-76.8	-176.6	177.9	173.2	2.2	111.2	Q109 V110 N115 T116 L117	Q109-R113 PolarHBondContact O-N 3.42Å; V110-R113 PolarHBondContact O-N 2.95Å; R113-N115 VanDerWaalsContact C-N 3.32Å; R113-N115 PolarHBondContact O-N 3.36Å; R113-T116 PolarHBondContact O-N 3.34Å; R113-L117 WeakPolarHBondContact O-CB 3.12Å; R113-L117 PolarHBondContact O-N 2.96Å
114	L	88.8	Confident	90.7	Very high	84 Å²	84	96.1 Å²	96.1	44%	0.44	49%	0.485	S	S	.	.	H	α-helix	trans	-58.3	-44.6	177.8	-168.2	89.2	0	0	0	111.4	V110 D111 L117 K118	V110-L114 WeakPolarHBondContact O-CB 3.17Å; V110-L114 PolarHBondContact O-N 3.34Å; D111-L114 PolarHBondContact O-N 3.4Å; L114-L117 PolarHBondContact O-N 3.26Å; L114-K118 WeakPolarHBondContact O-CB 3.48Å; L114-K118 WeakPolarHBondContact O-CG 3.01Å; L114-K118 PolarHBondContact O-N 3.47Å
115	N	93	Very high	90.9	Very high	89 Å²	89	97 Å²	97	48%	0.476	49%	0.487	S	S	.	.	H	α-helix	trans	-67.2	-35.8	178.7	-75.4	-33.3	0	0	0	112.8	D111 G112 R113 K119	D111-N115 WeakPolarHBondContact O-CB 3.38Å; D111-N115 VanDerWaalsContact O-CG 3.25Å; D111-N115 PolarHBondContact O-N 3.21Å; D111-N115 PolarHBondContact O-ND2 3.05Å; D111-N115 VanDerWaalsContact O-ND2 3.08Å; G112-N115 PolarHBondContact O-N 3.04Å; R113-N115 VanDerWaalsContact C-N 3.32Å; R113-N115 PolarHBondContact O-N 3.36Å; N115-K119 WeakPolarHBondContact O-CG 3.49Å; N115-K119 PolarHBondContact O-N 2.85Å; N115-K119 VanDerWaalsContact O-N 3.15Å
116	T	92.7	Very high	91.1	Very high	75 Å²	75	96 Å²	96	46%	0.46	49%	0.485	S	S	.	.	H	α-helix	trans	-67.2	-47.3	175.6	-51.2	0	0	0	0	110.5	G112 R113 K118 K119 E120	G112-T116 PolarHBondContact O-N 3.31Å; G112-T116 PolarHBondContact O-OG1 3.21Å; R113-T116 PolarHBondContact O-N 3.34Å; T116-K118 VanDerWaalsContact C-N 3.33Å; T116-K118 PolarHBondContact O-N 3.45Å; T116-K119 WeakPolarHBondContact O-CB 3.22Å; T116-K119 PolarHBondContact O-N 3.5Å; T116-K119 VanDerWaalsContact O-N 3.08Å; T116-E120 PolarHBondContact O-N 3.33Å
117	L	91.6	Very high	91.4	Very high	107 Å²	107	100.5 Å²	100.5	56%	0.56	50%	0.504	S	S	*	.	H	α-helix	trans	-61	-41.4	177.9	-153.3	74.3	0	0	0	111.5	R113 L114 K119 E120 V121	R113-L117 WeakPolarHBondContact O-CB 3.12Å; R113-L117 PolarHBondContact O-N 2.96Å; L114-L117 PolarHBondContact O-N 3.26Å; L117-K119 VanDerWaalsContact C-N 3.34Å; L117-K119 PolarHBondContact O-N 3.43Å; L117-E120 PolarHBondContact O-N 3.49Å; L117-V121 WeakPolarHBondContact O-CB 3.11Å; L117-V121 VanDerWaalsContact O-CG2 3.27Å; L117-V121 WeakPolarHBondContact O-CG2 3.42Å; L117-V121 PolarHBondContact O-N 3.46Å
118	K	92.3	Very high	91.6	Very high	130 Å²	130	97.8 Å²	97.8	57%	0.565	50%	0.499	S	S	*	.	H	α-helix	trans	-58.8	-42.3	173.1	-79	177.7	178.2	179.9	0	112.6	L114 T116 S122	L114-K118 WeakPolarHBondContact O-CB 3.48Å; L114-K118 WeakPolarHBondContact O-CG 3.01Å; L114-K118 PolarHBondContact O-N 3.47Å; T116-K118 VanDerWaalsContact C-N 3.33Å; T116-K118 PolarHBondContact O-N 3.45Å; K118-S122 WeakPolarHBondContact O-CB 3.37Å; K118-S122 PolarHBondContact O-N 3.25Å
119	K	93.7	Very high	91.7	Very high	155 Å²	155	99.5 Å²	99.5	67%	0.674	50%	0.502	S	S	*	.	H	α-helix	trans	-66.7	-40.9	176.7	-75.4	178.9	-179.7	179.4	0	112.1	N115 T116 L117 S122 T123	N115-K119 WeakPolarHBondContact O-CG 3.49Å; N115-K119 PolarHBondContact O-N 2.85Å; N115-K119 VanDerWaalsContact O-N 3.15Å; T116-K119 WeakPolarHBondContact O-CB 3.22Å; T116-K119 PolarHBondContact O-N 3.5Å; T116-K119 VanDerWaalsContact O-N 3.08Å; L117-K119 VanDerWaalsContact C-N 3.34Å; L117-K119 PolarHBondContact O-N 3.43Å; K119-S122 PolarHBondContact O-N 3.38Å; K119-T123 WeakPolarHBondContact O-CB 2.76Å; K119-T123 PolarHBondContact O-N 2.79Å; K119-T123 PolarHBondContact O-OG1 3.42Å
120	E	93.9	Very high	91.9	Very high	111 Å²	111	101 Å²	101	52%	0.519	51%	0.506	S	S	.	.	H	α-helix	trans	-64.8	-45.7	177.1	-73.9	178.5	179	0	0	111.7	T116 L117 S122 T123 Q124	T116-E120 PolarHBondContact O-N 3.33Å; L117-E120 PolarHBondContact O-N 3.49Å; E120-S122 PolarHBondContact O-N 2.75Å; E120-T123 WeakPolarHBondContact O-CB 3.5Å; E120-T123 PolarHBondContact O-N 3.33Å; E120-T123 VanDerWaalsContact O-N 3.16Å; E120-Q124 WeakPolarHBondContact O-CG 3.47Å; E120-Q124 PolarHBondContact O-N 3.12Å
121	V	94.3	Very high	92.2	Very high	95 Å²	95	101 Å²	101	58%	0.576	51%	0.506	S	S	*	.	H	α-helix	trans	-58.9	-46.8	175	170.5	0	0	0	0	110.6	L117 T123 Q124 D125	L117-V121 WeakPolarHBondContact O-CB 3.11Å; L117-V121 VanDerWaalsContact O-CG2 3.27Å; L117-V121 WeakPolarHBondContact O-CG2 3.42Å; L117-V121 PolarHBondContact O-N 3.46Å; V121-T123 VanDerWaalsContact C-N 3.3Å; V121-T123 PolarHBondContact O-N 3.27Å; V121-Q124 PolarHBondContact O-N 3.31Å; V121-D125 VanDerWaalsContact O-CB 3.29Å; V121-D125 WeakPolarHBondContact O-CB 3.38Å; V121-D125 PolarHBondContact O-N 2.97Å
122	S	93	Very high	92.2	Very high	78 Å²	78	101.5 Å²	101.5	55%	0.545	51%	0.509	S	S	.	.	H	α-helix	trans	-61.7	-37.5	176.3	-179.4	0	0	0	0	112.8	K118 K119 E120 S126	K118-S122 WeakPolarHBondContact O-CB 3.37Å; K118-S122 PolarHBondContact O-N 3.25Å; K119-S122 PolarHBondContact O-N 3.38Å; E120-S122 PolarHBondContact O-N 2.75Å; S122-S126 PolarHBondContact O-N 3.4Å
123	T	93.7	Very high	92.2	Very high	72 Å²	72	102.7 Å²	102.7	44%	0.442	51%	0.51	S	S	.	.	H	α-helix	trans	-67.9	-44.4	176.8	-54.7	0	0	0	0	111.1	K119 E120 V121 S126 K127	K119-T123 WeakPolarHBondContact O-CB 2.76Å; K119-T123 PolarHBondContact O-N 2.79Å; K119-T123 PolarHBondContact O-OG1 3.42Å; E120-T123 WeakPolarHBondContact O-CB 3.5Å; E120-T123 PolarHBondContact O-N 3.33Å; E120-T123 VanDerWaalsContact O-N 3.16Å; V121-T123 VanDerWaalsContact C-N 3.3Å; V121-T123 PolarHBondContact O-N 3.27Å; T123-S126 PolarHBondContact O-N 3.47Å; T123-S126 PolarHBondContact O-OG 3.27Å; T123-K127 PolarHBondContact O-N 3Å; T123-K127 VanDerWaalsContact O-N 3.09Å
124	Q	92.5	Very high	92.3	Very high	119 Å²	119	101.9 Å²	101.9	56%	0.556	51%	0.513	S	S	*	.	H	α-helix	trans	-64.8	-41.6	176.6	-73.3	-64.4	-4.8	0	0	111.8	E120 V121 S126 K127 H128	E120-Q124 WeakPolarHBondContact O-CG 3.47Å; E120-Q124 PolarHBondContact O-N 3.12Å; V121-Q124 PolarHBondContact O-N 3.31Å; Q124-S126 VanDerWaalsContact C-N 3.32Å; Q124-S126 PolarHBondContact O-N 2.82Å; Q124-K127 PolarHBondContact O-N 2.82Å; Q124-K127 VanDerWaalsContact O-N 3.14Å; Q124-H128 WeakPolarHBondContact O-CB 3.31Å; Q124-H128 PolarHBondContact O-N 3.49Å
125	D	91.7	Very high	92.4	Very high	96 Å²	96	102.7 Å²	102.7	51%	0.513	52%	0.516	S	S	.	.	H	α-helix	trans	-59.9	-42.3	175.1	-171.5	52.8	0	0	0	111.4	V121 K127 H128 R129	V121-D125 VanDerWaalsContact O-CB 3.29Å; V121-D125 WeakPolarHBondContact O-CB 3.38Å; V121-D125 PolarHBondContact O-N 2.97Å; D125-K127 VanDerWaalsContact C-N 3.35Å; D125-K127 PolarHBondContact O-N 3.45Å; D125-H128 PolarHBondContact O-N 3.44Å; D125-R129 WeakPolarHBondContact O-CB 2.9Å; D125-R129 PolarHBondContact O-N 3.03Å
126	S	92.7	Very high	92.2	Very high	45 Å²	45	103.2 Å²	103.2	32%	0.315	52%	0.516	S	S	.	.	H	α-helix	trans	-64.5	-35.2	175.3	81.3	0	0	0	0	113.7	S122 T123 Q124 K130	S122-S126 PolarHBondContact O-N 3.4Å; T123-S126 PolarHBondContact O-N 3.47Å; T123-S126 PolarHBondContact O-OG 3.27Å; Q124-S126 VanDerWaalsContact C-N 3.32Å; Q124-S126 PolarHBondContact O-N 2.82Å; S126-K130 WeakPolarHBondContact O-CG 3.33Å; S126-K130 PolarHBondContact O-N 3.18Å
127	K	92.8	Very high	92.1	Very high	116 Å²	116	106.8 Å²	106.8	50%	0.504	53%	0.525	S	S	.	.	H	α-helix	trans	-71.2	-47.8	175.3	-74.5	-179.9	179.6	179.3	0	110.5	T123 Q124 D125 R129 K130 T131	T123-K127 PolarHBondContact O-N 3Å; T123-K127 VanDerWaalsContact O-N 3.09Å; Q124-K127 PolarHBondContact O-N 2.82Å; Q124-K127 VanDerWaalsContact O-N 3.14Å; D125-K127 VanDerWaalsContact C-N 3.35Å; D125-K127 PolarHBondContact O-N 3.45Å; K127-R129 VanDerWaalsContact C-N 3.28Å; K127-R129 PolarHBondContact O-N 3.2Å; K127-K130 PolarHBondContact O-N 2.9Å; K127-K130 VanDerWaalsContact O-N 3.12Å; K127-T131 PolarHBondContact O-N 3.03Å; K127-T131 PolarHBondContact O-OG1 2.99Å
128	H	90	Very high	92.1	Very high	120 Å²	120	103.5 Å²	103.5	56%	0.556	52%	0.517	S	S	*	.	H	α-helix	trans	-56.8	-44.6	178.2	-172.1	68.4	0	0	0	110.9	Q124 D125 K130 T131 L132	Q124-H128 WeakPolarHBondContact O-CB 3.31Å; Q124-H128 PolarHBondContact O-N 3.49Å; D125-H128 PolarHBondContact O-N 3.44Å; H128-K130 PolarHBondContact O-N 3.49Å; H128-T131 PolarHBondContact O-N 3.29Å; H128-L132 WeakPolarHBondContact O-CB 3.24Å; H128-L132 PolarHBondContact O-N 3.46Å
129	R	92.8	Very high	92	Very high	161 Å²	161	100 Å²	100	61%	0.608	51%	0.507	S	S	*	.	H	α-helix	trans	-62	-38.6	176.8	-171.5	154.8	55.8	100.7	-2.4	113.5	D125 K127 L132 T133	D125-R129 WeakPolarHBondContact O-CB 2.9Å; D125-R129 PolarHBondContact O-N 3.03Å; K127-R129 VanDerWaalsContact C-N 3.28Å; K127-R129 PolarHBondContact O-N 3.2Å; R129-L132 WeakPolarHBondContact O-CB 3.28Å; R129-L132 PolarHBondContact O-N 2.89Å; R129-T133 PolarHBondContact O-N 3.31Å; R129-T133 VanDerWaalsContact O-N 3.08Å; R129-T133 PolarHBondContact O-OG1 3.39Å
130	K	92.5	Very high	91.8	Very high	144 Å²	144	97.4 Å²	97.4	63%	0.626	50%	0.5	S	S	*	.	H	α-helix	trans	-65	-45.5	173.7	-73	176.2	-178.3	-179.5	0	111.9	S126 K127 H128 L132 T133 E134	S126-K130 WeakPolarHBondContact O-CG 3.33Å; S126-K130 PolarHBondContact O-N 3.18Å; K127-K130 PolarHBondContact O-N 2.9Å; K127-K130 VanDerWaalsContact O-N 3.12Å; H128-K130 PolarHBondContact O-N 3.49Å; K130-L132 VanDerWaalsContact C-N 3.27Å; K130-L132 PolarHBondContact O-N 2.83Å; K130-T133 PolarHBondContact O-N 2.77Å; K130-E134 PolarHBondContact O-N 2.85Å
131	T	91.4	Very high	91.6	Very high	68 Å²	68	94.2 Å²	94.2	42%	0.417	50%	0.497	S	S	.	.	H	α-helix	trans	-61	-39	175.7	-55.7	0	0	0	0	111.1	K127 H128 T133 E134 I135	K127-T131 PolarHBondContact O-N 3.03Å; K127-T131 PolarHBondContact O-OG1 2.99Å; H128-T131 PolarHBondContact O-N 3.29Å; T131-T133 PolarHBondContact O-N 3.18Å; T131-E134 PolarHBondContact O-N 2.94Å; T131-I135 HydrophobicContact CG2-CD1 3.98Å; T131-I135 VanDerWaalsContact O-CG1 3.29Å; T131-I135 WeakPolarHBondContact O-CG1 3.4Å; T131-I135 PolarHBondContact O-N 3.43Å
132	L	91.6	Very high	91.3	Very high	77 Å²	77	94.2 Å²	94.2	40%	0.403	49%	0.493	S	S	.	.	H	α-helix	trans	-59.4	-46.9	174.8	-149.8	91.4	0	0	0	110.9	H128 R129 K130 E134 I135 E136	H128-L132 WeakPolarHBondContact O-CB 3.24Å; H128-L132 PolarHBondContact O-N 3.46Å; R129-L132 WeakPolarHBondContact O-CB 3.28Å; R129-L132 PolarHBondContact O-N 2.89Å; K130-L132 VanDerWaalsContact C-N 3.27Å; K130-L132 PolarHBondContact O-N 2.83Å; L132-E134 VanDerWaalsContact C-N 3.33Å; L132-E134 PolarHBondContact O-N 3.13Å; L132-I135 PolarHBondContact O-N 2.84Å; L132-E136 WeakPolarHBondContact O-CB 3.28Å; L132-E136 VanDerWaalsContact O-CG 3.31Å; L132-E136 WeakPolarHBondContact O-CG 3.41Å; L132-E136 PolarHBondContact O-N 2.97Å
133	T	91.4	Very high	91.1	Very high	59 Å²	59	97.1 Å²	97.1	36%	0.362	50%	0.496	S	S	.	.	H	α-helix	trans	-65.5	-33	178.3	-49.9	0	0	0	0	113.3	R129 K130 T131 K137	R129-T133 PolarHBondContact O-N 3.31Å; R129-T133 VanDerWaalsContact O-N 3.08Å; R129-T133 PolarHBondContact O-OG1 3.39Å; K130-T133 PolarHBondContact O-N 2.77Å; T131-T133 PolarHBondContact O-N 3.18Å; T133-K137 WeakPolarHBondContact O-CG 3.05Å; T133-K137 PolarHBondContact O-N 3Å; T133-K137 VanDerWaalsContact O-N 3.1Å
134	E	91.6	Very high	90.8	Very high	139 Å²	139	100.9 Å²	100.9	65%	0.65	51%	0.509	S	S	*	.	H	α-helix	trans	-69.1	-41	173.3	-73.7	174.8	-178.1	0	0	111.7	K130 T131 L132 K137 G138	K130-E134 PolarHBondContact O-N 2.85Å; T131-E134 PolarHBondContact O-N 2.94Å; L132-E134 VanDerWaalsContact C-N 3.33Å; L132-E134 PolarHBondContact O-N 3.13Å; E134-K137 PolarHBondContact O-N 3.21Å; E134-G138 PolarHBondContact O-N 3.38Å
135	I	90.3	Very high	90.6	Very high	101 Å²	101	98.2 Å²	98.2	52%	0.518	50%	0.503	S	S	.	.	H	α-helix	trans	-64.1	-45.6	174.3	-68.8	168.4	0	0	0	110.2	T131 L132 K137 G138 V139	T131-I135 HydrophobicContact CG2-CD1 3.98Å; T131-I135 VanDerWaalsContact O-CG1 3.29Å; T131-I135 WeakPolarHBondContact O-CG1 3.4Å; T131-I135 PolarHBondContact O-N 3.43Å; L132-I135 PolarHBondContact O-N 2.84Å; I135-K137 PolarHBondContact O-N 3.45Å; I135-G138 CarbonylContact O-C 3.51Å; I135-G138 PolarHBondContact O-N 2.88Å; I135-G138 VanDerWaalsContact O-N 3.11Å; I135-V139 HydrophobicContact CG2-CG2 4.1Å; I135-V139 WeakPolarHBondContact O-CB 3.19Å; I135-V139 VanDerWaalsContact O-CG2 3.24Å; I135-V139 WeakPolarHBondContact O-CG2 3.16Å; I135-V139 PolarHBondContact O-N 3.45Å
136	E	90	Very high	90.4	Very high	99 Å²	99	99.5 Å²	99.5	46%	0.463	50%	0.504	S	S	.	.	H	α-helix	trans	-55.2	-48.6	175.7	-76	169.5	169.6	0	0	111.3	L132 G138 V139 D140	L132-E136 WeakPolarHBondContact O-CB 3.28Å; L132-E136 VanDerWaalsContact O-CG 3.31Å; L132-E136 WeakPolarHBondContact O-CG 3.41Å; L132-E136 PolarHBondContact O-N 2.97Å; E136-G138 VanDerWaalsContact C-N 3.34Å; E136-G138 PolarHBondContact O-N 2.93Å; E136-V139 CarbonylContact O-C 3.56Å; E136-V139 WeakPolarHBondContact O-CB 3.38Å; E136-V139 PolarHBondContact O-N 3.42Å; E136-D140 PolarHBondContact O-N 3.03Å
137	K	91	Very high	90.1	Very high	150 Å²	150	100.3 Å²	100.3	65%	0.652	51%	0.514	S	S	*	.	H	α-helix	trans	-62.8	-38.2	175.6	-74.4	179.1	-179.8	-180	0	113.2	T133 E134 I135 V139 D140 G141	T133-K137 WeakPolarHBondContact O-CG 3.05Å; T133-K137 PolarHBondContact O-N 3Å; T133-K137 VanDerWaalsContact O-N 3.1Å; E134-K137 PolarHBondContact O-N 3.21Å; I135-K137 PolarHBondContact O-N 3.45Å; K137-V139 VanDerWaalsContact C-N 3.33Å; K137-D140 PolarHBondContact O-N 3.4Å; K137-G141 PolarHBondContact O-N 3.22Å
138	G	91	Very high	89.8	Confident	39 Å²	39	104.3 Å²	104.3	40%	0.402	53%	0.526	S	S	.	.	H	α-helix	trans	-65.4	-39.7	175.3	0	0	0	0	0	111.9	E134 I135 E136 G141 L142	E134-G138 PolarHBondContact O-N 3.38Å; I135-G138 CarbonylContact O-C 3.51Å; I135-G138 PolarHBondContact O-N 2.88Å; I135-G138 VanDerWaalsContact O-N 3.11Å; E136-G138 VanDerWaalsContact C-N 3.34Å; E136-G138 PolarHBondContact O-N 2.93Å; G138-G141 PolarHBondContact O-N 3.17Å; G138-L142 WeakPolarHBondContact O-CB 3.45Å; G138-L142 VanDerWaalsContact O-CG 3.3Å; G138-L142 WeakPolarHBondContact O-CG 3.48Å; G138-L142 PolarHBondContact O-N 3.23Å
139	V	90	Very high	89.5	Confident	57 Å²	57	102.4 Å²	102.4	35%	0.345	52%	0.519	S	S	.	.	H	α-helix	trans	-66.3	-42.5	175.4	167	0	0	0	0	110.7	I135 E136 K137 G141 L142 F143	I135-V139 HydrophobicContact CG2-CG2 4.1Å; I135-V139 WeakPolarHBondContact O-CB 3.19Å; I135-V139 VanDerWaalsContact O-CG2 3.24Å; I135-V139 WeakPolarHBondContact O-CG2 3.16Å; I135-V139 PolarHBondContact O-N 3.45Å; E136-V139 CarbonylContact O-C 3.56Å; E136-V139 WeakPolarHBondContact O-CB 3.38Å; E136-V139 PolarHBondContact O-N 3.42Å; K137-V139 VanDerWaalsContact C-N 3.33Å; V139-G141 PolarHBondContact O-N 2.98Å; V139-L142 CarbonylContact O-C 3.59Å; V139-L142 WeakPolarHBondContact O-CB 3.35Å; V139-L142 PolarHBondContact O-N 2.8Å; V139-F143 HydrophobicContact CG1-CD2 3.52Å; V139-F143 HydrophobicContact CG1-CE2 3.25Å; V139-F143 HydrophobicContact CG1-CZ 4.36Å; V139-F143 WeakPolarHBondContact O-CD2 3.12Å; V139-F143 PolarHBondContact O-N 2.85Å
140	D	89.7	Confident	89.2	Confident	100 Å²	100	99.6 Å²	99.6	54%	0.535	52%	0.516	S	S	.	.	H	α-helix	trans	-61.6	-44.1	174.2	-70.8	-23.4	0	0	0	111.9	E136 K137 L142 F143 E144	E136-D140 PolarHBondContact O-N 3.03Å; K137-D140 PolarHBondContact O-N 3.4Å; D140-L142 VanDerWaalsContact C-N 3.32Å; D140-L142 PolarHBondContact O-N 2.85Å; D140-F143 WeakPolarHBondContact O-CB 3.29Å; D140-F143 PolarHBondContact O-N 2.93Å; D140-E144 PolarHBondContact O-N 3.18Å
141	G	90.2	Very high	88.9	Confident	43 Å²	43	94.8 Å²	94.8	44%	0.443	51%	0.508	S	S	.	.	H	α-helix	trans	-63.5	-37.5	174.4	0	0	0	0	0	112.8	K137 G138 V139 E144 S145	K137-G141 PolarHBondContact O-N 3.22Å; G138-G141 PolarHBondContact O-N 3.17Å; V139-G141 PolarHBondContact O-N 2.98Å; G141-E144 PolarHBondContact O-N 3.4Å; G141-S145 PolarHBondContact O-N 3.47Å; G141-S145 VanDerWaalsContact O-N 3.08Å
142	L	87.7	Confident	88.5	Confident	96 Å²	96	99.8 Å²	99.8	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-64.1	-44.6	171.3	-76.5	167.9	0	0	0	110.5	G138 V139 D140 E144 S145 F146	G138-L142 WeakPolarHBondContact O-CB 3.45Å; G138-L142 VanDerWaalsContact O-CG 3.3Å; G138-L142 WeakPolarHBondContact O-CG 3.48Å; G138-L142 PolarHBondContact O-N 3.23Å; V139-L142 CarbonylContact O-C 3.59Å; V139-L142 WeakPolarHBondContact O-CB 3.35Å; V139-L142 PolarHBondContact O-N 2.8Å; D140-L142 VanDerWaalsContact C-N 3.32Å; D140-L142 PolarHBondContact O-N 2.85Å; L142-E144 PolarHBondContact O-N 2.86Å; L142-S145 CarbonylContact O-C 3.59Å; L142-S145 PolarHBondContact O-N 3.03Å; L142-S145 PolarHBondContact O-OG 2.92Å; L142-F146 HydrophobicContact CB-CD2 4.37Å; L142-F146 WeakPolarHBondContact O-CB 3.26Å; L142-F146 VanDerWaalsContact O-CD2 3.23Å; L142-F146 WeakPolarHBondContact O-CD2 3.4Å; L142-F146 PolarHBondContact O-N 3.43Å
143	F	87.4	Confident	88.1	Confident	138 Å²	138	100.7 Å²	100.7	61%	0.605	52%	0.523	S	S	*	.	H	α-helix	trans	-60.1	-41.1	176.2	-84.2	-63	0	0	0	112.4	V139 D140 F146 A147	V139-F143 HydrophobicContact CG1-CD2 3.52Å; V139-F143 HydrophobicContact CG1-CE2 3.25Å; V139-F143 HydrophobicContact CG1-CZ 4.36Å; V139-F143 WeakPolarHBondContact O-CD2 3.12Å; V139-F143 PolarHBondContact O-N 2.85Å; D140-F143 WeakPolarHBondContact O-CB 3.29Å; D140-F143 PolarHBondContact O-N 2.93Å; F143-F146 CarbonylContact O-C 3.37Å; F143-F146 PolarHBondContact O-N 2.93Å; F143-A147 VanDerWaalsContact O-CB 3.23Å; F143-A147 WeakPolarHBondContact O-CB 3.36Å; F143-A147 PolarHBondContact O-N 2.91Å
144	E	88.1	Confident	87.7	Confident	152 Å²	152	100.3 Å²	100.3	71%	0.71	52%	0.523	S	S	*	.	H	α-helix	trans	-63.4	-43.4	175.1	-165.5	86.5	-152.8	0	0	111.1	D140 G141 L142 A147 R148	D140-E144 PolarHBondContact O-N 3.18Å; G141-E144 PolarHBondContact O-N 3.4Å; L142-E144 PolarHBondContact O-N 2.86Å; E144-A147 PolarHBondContact O-N 3.48Å; E144-R148 WeakPolarHBondContact O-CB 3.27Å; E144-R148 PolarHBondContact O-N 3.26Å
145	S	88.5	Confident	87.2	Confident	63 Å²	63	97 Å²	97	44%	0.441	52%	0.515	S	S	.	.	H	α-helix	trans	-66.5	-39.3	177.3	78	0	0	0	0	112.2	G141 L142 R148 L149	G141-S145 PolarHBondContact O-N 3.47Å; G141-S145 VanDerWaalsContact O-N 3.08Å; L142-S145 CarbonylContact O-C 3.59Å; L142-S145 PolarHBondContact O-N 3.03Å; L142-S145 PolarHBondContact O-OG 2.92Å; S145-R148 PolarHBondContact O-N 3.45Å; S145-L149 VanDerWaalsContact O-CB 3.27Å; S145-L149 WeakPolarHBondContact O-CB 3.11Å; S145-L149 PolarHBondContact O-N 3.19Å
146	F	86.7	Confident	87	Confident	122 Å²	122	96.7 Å²	96.7	54%	0.535	52%	0.518	S	S	.	.	H	α-helix	trans	-68	-40.7	173.9	-89.7	-68.8	0	0	0	110.7	L142 F143 R148 L149 D150	L142-F146 HydrophobicContact CB-CD2 4.37Å; L142-F146 WeakPolarHBondContact O-CB 3.26Å; L142-F146 VanDerWaalsContact O-CD2 3.23Å; L142-F146 WeakPolarHBondContact O-CD2 3.4Å; L142-F146 PolarHBondContact O-N 3.43Å; F143-F146 CarbonylContact O-C 3.37Å; F143-F146 PolarHBondContact O-N 2.93Å; F146-R148 VanDerWaalsContact C-N 3.32Å; F146-R148 PolarHBondContact O-N 2.96Å; F146-L149 CarbonylContact O-C 3.57Å; F146-L149 PolarHBondContact O-N 2.77Å; F146-D150 WeakPolarHBondContact O-CA 3.39Å; F146-D150 WeakPolarHBondContact O-CB 3.35Å; F146-D150 PolarHBondContact O-N 3.03Å
147	A	86.5	Confident	86.6	Confident	62 Å²	62	93.5 Å²	93.5	51%	0.512	51%	0.511	S	S	.	.	H	α-helix	trans	-65.1	-37.2	176.9	0	0	0	0	0	111.5	F143 E144 G151	F143-A147 VanDerWaalsContact O-CB 3.23Å; F143-A147 WeakPolarHBondContact O-CB 3.36Å; F143-A147 PolarHBondContact O-N 2.91Å; E144-A147 PolarHBondContact O-N 3.48Å; A147-G151 PolarHBondContact O-N 2.85Å
148	R	87	Confident	86.2	Confident	200 Å²	200	92.4 Å²	92.4	76%	0.755	51%	0.508	S	S	*	.	H	α-helix	trans	-70.4	-42.4	174	-171.3	179.8	-179.4	-176.6	1.2	112	E144 S145 F146 G151 R152	E144-R148 WeakPolarHBondContact O-CB 3.27Å; E144-R148 PolarHBondContact O-N 3.26Å; S145-R148 PolarHBondContact O-N 3.45Å; F146-R148 VanDerWaalsContact C-N 3.32Å; F146-R148 PolarHBondContact O-N 2.96Å; R148-G151 PolarHBondContact O-N 3.1Å; R148-R152 PolarHBondContact O-N 3.42Å; R148-R152 VanDerWaalsContact O-N 3.13Å
149	L	84.2	Confident	85.6	Confident	81 Å²	81	94.5 Å²	94.5	42%	0.424	51%	0.513	S	S	.	.	H	α-helix	trans	-64.2	-44.6	175.5	-177.8	66.7	0	0	0	110.2	S145 F146 R152 I153	S145-L149 VanDerWaalsContact O-CB 3.27Å; S145-L149 WeakPolarHBondContact O-CB 3.11Å; S145-L149 PolarHBondContact O-N 3.19Å; F146-L149 CarbonylContact O-C 3.57Å; F146-L149 PolarHBondContact O-N 2.77Å; L149-R152 CarbonylContact O-C 3.54Å; L149-R152 WeakPolarHBondContact O-CB 3.46Å; L149-R152 PolarHBondContact O-N 3.4Å; L149-R152 VanDerWaalsContact O-N 3.12Å; L149-I153 HydrophobicContact CD1-CD1 4.01Å; L149-I153 HydrophobicContact CD1-CG1 4.29Å; L149-I153 HydrophobicContact CD2-CD1 4.08Å; L149-I153 HydrophobicContact CG-CD1 3.63Å; L149-I153 HydrophobicContact CG-CG1 4.23Å; L149-I153 WeakPolarHBondContact O-CB 3.23Å; L149-I153 VanDerWaalsContact O-CG1 3.31Å; L149-I153 WeakPolarHBondContact O-CG1 3Å; L149-I153 PolarHBondContact O-N 3.11Å
150	D	85.5	Confident	85.1	Confident	101 Å²	101	94.5 Å²	94.5	54%	0.54	52%	0.519	S	S	.	.	H	α-helix	trans	-64.8	-38.8	176.7	-169.5	45.1	0	0	0	110.6	F146 R152 I153 S154	F146-D150 WeakPolarHBondContact O-CA 3.39Å; F146-D150 WeakPolarHBondContact O-CB 3.35Å; F146-D150 PolarHBondContact O-N 3.03Å; D150-R152 VanDerWaalsContact C-N 3.3Å; D150-R152 PolarHBondContact O-N 3.12Å; D150-I153 CarbonylContact O-C 3.38Å; D150-I153 PolarHBondContact O-N 2.71Å; D150-S154 WeakPolarHBondContact O-CA 3.23Å; D150-S154 WeakPolarHBondContact O-CB 3.49Å; D150-S154 PolarHBondContact O-N 2.89Å
151	G	86.4	Confident	84.7	Confident	43 Å²	43	91.5 Å²	91.5	44%	0.443	51%	0.509	S	S	.	.	H	α-helix	trans	-60.7	-38.5	170.8	0	0	0	0	0	112.8	A147 R148 S155	A147-G151 PolarHBondContact O-N 2.85Å; R148-G151 PolarHBondContact O-N 3.1Å; G151-S155 VanDerWaalsContact O-CB 3.31Å; G151-S155 WeakPolarHBondContact O-CB 3.23Å; G151-S155 PolarHBondContact O-N 3.16Å
152	R	84.3	Confident	84.2	Confident	173 Å²	173	96.3 Å²	96.3	65%	0.653	52%	0.517	S	S	*	.	H	α-helix	trans	-74	-44.3	175.4	-72.4	-179.2	65.7	-165.5	-1.1	112.5	R148 L149 D150 S154 S155 V156	R148-R152 PolarHBondContact O-N 3.42Å; R148-R152 VanDerWaalsContact O-N 3.13Å; L149-R152 CarbonylContact O-C 3.54Å; L149-R152 WeakPolarHBondContact O-CB 3.46Å; L149-R152 PolarHBondContact O-N 3.4Å; L149-R152 VanDerWaalsContact O-N 3.12Å; D150-R152 VanDerWaalsContact C-N 3.3Å; D150-R152 PolarHBondContact O-N 3.12Å; R152-S154 VanDerWaalsContact C-N 3.27Å; R152-S155 PolarHBondContact O-N 2.87Å; R152-V156 WeakPolarHBondContact O-CB 3.39Å; R152-V156 WeakPolarHBondContact O-CG2 3.46Å; R152-V156 PolarHBondContact O-N 2.94Å
153	I	81.7	Confident	83.8	Confident	97 Å²	97	96.4 Å²	96.4	50%	0.497	52%	0.517	S	S	.	.	H	α-helix	trans	-66.6	-33.9	177	-71.5	176.2	0	0	0	109.9	L149 D150 G157	L149-I153 HydrophobicContact CD1-CD1 4.01Å; L149-I153 HydrophobicContact CD1-CG1 4.29Å; L149-I153 HydrophobicContact CD2-CD1 4.08Å; L149-I153 HydrophobicContact CG-CD1 3.63Å; L149-I153 HydrophobicContact CG-CG1 4.23Å; L149-I153 WeakPolarHBondContact O-CB 3.23Å; L149-I153 VanDerWaalsContact O-CG1 3.31Å; L149-I153 WeakPolarHBondContact O-CG1 3Å; L149-I153 PolarHBondContact O-N 3.11Å; D150-I153 CarbonylContact O-C 3.38Å; D150-I153 PolarHBondContact O-N 2.71Å; I153-G157 WeakPolarHBondContact O-CA 3.31Å; I153-G157 PolarHBondContact O-N 3.35Å
154	S	83.8	Confident	83.5	Confident	51 Å²	51	91 Å²	91	36%	0.357	50%	0.501	S	S	.	.	H	α-helix	trans	-75.4	-35.4	175.5	-170.9	0	0	0	0	110.5	D150 R152 G157 Q158	D150-S154 WeakPolarHBondContact O-CA 3.23Å; D150-S154 WeakPolarHBondContact O-CB 3.49Å; D150-S154 PolarHBondContact O-N 2.89Å; R152-S154 VanDerWaalsContact C-N 3.27Å; S154-G157 CarbonylContact O-C 3.55Å; S154-Q158 WeakPolarHBondContact O-CA 3.36Å; S154-Q158 WeakPolarHBondContact O-CB 3.17Å; S154-Q158 WeakPolarHBondContact O-CG 3.35Å; S154-Q158 PolarHBondContact O-N 2.9Å
155	S	81.6	Confident	83.2	Confident	68 Å²	68	88.1 Å²	88.1	48%	0.476	49%	0.49	S	S	.	.	H	α-helix	trans	-66.4	-51.3	170.6	165	0	0	0	0	112.5	G151 R152 G157 Q158 T159	G151-S155 VanDerWaalsContact O-CB 3.31Å; G151-S155 WeakPolarHBondContact O-CB 3.23Å; G151-S155 PolarHBondContact O-N 3.16Å; R152-S155 PolarHBondContact O-N 2.87Å; S155-G157 VanDerWaalsContact C-N 3.32Å; S155-Q158 PolarHBondContact O-N 3.34Å; S155-T159 PolarHBondContact O-N 3.49Å; S155-T159 VanDerWaalsContact O-N 3.1Å; S155-T159 PolarHBondContact O-OG1 3.32Å
156	V	85.6	Confident	82.9	Confident	96 Å²	96	91.7 Å²	91.7	58%	0.582	50%	0.5	S	S	*	.	H	α-helix	trans	-65.5	-41.9	177.5	172.5	0	0	0	0	109.7	R152 T159 A160	R152-V156 WeakPolarHBondContact O-CB 3.39Å; R152-V156 WeakPolarHBondContact O-CG2 3.46Å; R152-V156 PolarHBondContact O-N 2.94Å; V156-T159 PolarHBondContact O-N 3.12Å; V156-A160 WeakPolarHBondContact O-CB 3.48Å; V156-A160 PolarHBondContact O-N 3.5Å
157	G	81.3	Confident	82.6	Confident	31 Å²	31	91.6 Å²	91.6	32%	0.32	50%	0.504	S	S	.	.	H	α-helix	trans	-68.4	-33	177.2	0	0	0	0	0	112.5	I153 S154 S155 T159 A161	I153-G157 WeakPolarHBondContact O-CA 3.31Å; I153-G157 PolarHBondContact O-N 3.35Å; S154-G157 CarbonylContact O-C 3.55Å; S155-G157 VanDerWaalsContact C-N 3.32Å; G157-T159 VanDerWaalsContact C-N 3.33Å; G157-A161 VanDerWaalsContact O-CA 3.25Å; G157-A161 WeakPolarHBondContact O-CA 3.5Å; G157-A161 WeakPolarHBondContact O-CB 3.48Å; G157-A161 PolarHBondContact O-N 3.14Å
158	Q	81.8	Confident	82.3	Confident	128 Å²	128	94.9 Å²	94.9	60%	0.598	51%	0.509	S	S	*	.	H	α-helix	trans	-70.2	-33.8	171.1	-85.1	-178.6	9.8	0	0	111.1	S154 S155 K162	S154-Q158 WeakPolarHBondContact O-CA 3.36Å; S154-Q158 WeakPolarHBondContact O-CB 3.17Å; S154-Q158 WeakPolarHBondContact O-CG 3.35Å; S154-Q158 PolarHBondContact O-N 2.9Å; S155-Q158 PolarHBondContact O-N 3.34Å; Q158-K162 VanDerWaalsContact O-CB 3.26Å; Q158-K162 WeakPolarHBondContact O-CB 3.3Å; Q158-K162 WeakPolarHBondContact O-CG 3.15Å; Q158-K162 PolarHBondContact O-N 3.48Å
159	T	80.1	Confident	82	Confident	82 Å²	82	88.1 Å²	88.1	50%	0.503	49%	0.492	S	S	.	.	H	α-helix	trans	-76.3	-44.5	177.4	-47.1	0	0	0	0	110.5	S155 V156 G157 K162 I163	S155-T159 PolarHBondContact O-N 3.49Å; S155-T159 VanDerWaalsContact O-N 3.1Å; S155-T159 PolarHBondContact O-OG1 3.32Å; V156-T159 PolarHBondContact O-N 3.12Å; G157-T159 VanDerWaalsContact C-N 3.33Å; T159-K162 PolarHBondContact O-N 2.86Å; T159-I163 HydrophobicContact CG2-CD1 4.31Å; T159-I163 WeakPolarHBondContact O-CB 3.38Å; T159-I163 VanDerWaalsContact O-CG1 3.3Å; T159-I163 WeakPolarHBondContact O-CG1 3.23Å; T159-I163 PolarHBondContact O-N 2.82Å
160	A	79.5	Confident	81.8	Confident	57 Å²	57	86.8 Å²	86.8	47%	0.471	49%	0.493	S	S	.	.	H	α-helix	trans	-71.2	-30.4	176.2	0	0	0	0	0	112.1	V156 G164	V156-A160 WeakPolarHBondContact O-CB 3.48Å; V156-A160 PolarHBondContact O-N 3.5Å; A160-G164 WeakPolarHBondContact O-CA 3.38Å; A160-G164 PolarHBondContact O-N 3.21Å
161	A	81.4	Confident	81.7	Confident	38 Å²	38	86.4 Å²	86.4	31%	0.314	49%	0.491	S	S	.	.	H	α-helix	trans	-73.3	-48.5	168.5	0	0	0	0	0	108.9	G157 I163 G164 D165	G157-A161 VanDerWaalsContact O-CA 3.25Å; G157-A161 WeakPolarHBondContact O-CA 3.5Å; G157-A161 WeakPolarHBondContact O-CB 3.48Å; G157-A161 PolarHBondContact O-N 3.14Å; A161-I163 VanDerWaalsContact C-N 3.26Å; A161-I163 PolarHBondContact O-N 2.95Å; A161-I163 VanDerWaalsContact O-N 3.16Å; A161-G164 CarbonylContact O-C 3.59Å; A161-G164 WeakPolarHBondContact O-CA 3.46Å; A161-G164 PolarHBondContact O-N 3Å; A161-D165 WeakPolarHBondContact O-CA 3.46Å; A161-D165 WeakPolarHBondContact O-CB 3.36Å; A161-D165 PolarHBondContact O-N 2.81Å
162	K	79.5	Confident	81.3	Confident	143 Å²	143	86.4 Å²	86.4	62%	0.622	49%	0.487	S	S	*	.	H	α-helix	trans	-53.6	-45.1	174.3	-88.5	-177.4	176.1	179	0	112.9	Q158 T159 H166	Q158-K162 VanDerWaalsContact O-CB 3.26Å; Q158-K162 WeakPolarHBondContact O-CB 3.3Å; Q158-K162 WeakPolarHBondContact O-CG 3.15Å; Q158-K162 PolarHBondContact O-N 3.48Å; T159-K162 PolarHBondContact O-N 2.86Å; K162-H166 VanDerWaalsContact O-CB 3.26Å; K162-H166 WeakPolarHBondContact O-CB 3.47Å; K162-H166 PolarHBondContact O-CD2 3.49Å; K162-H166 PolarHBondContact O-N 3.29Å
163	I	78.7	Confident	81.2	Confident	99 Å²	99	84.6 Å²	84.6	51%	0.508	49%	0.485	S	S	.	.	H	α-helix	trans	-70.3	-42.1	176.3	-65.8	168	0	0	0	110.7	T159 A161 H166 L167	T159-I163 HydrophobicContact CG2-CD1 4.31Å; T159-I163 WeakPolarHBondContact O-CB 3.38Å; T159-I163 VanDerWaalsContact O-CG1 3.3Å; T159-I163 WeakPolarHBondContact O-CG1 3.23Å; T159-I163 PolarHBondContact O-N 2.82Å; A161-I163 VanDerWaalsContact C-N 3.26Å; A161-I163 PolarHBondContact O-N 2.95Å; A161-I163 VanDerWaalsContact O-N 3.16Å; I163-H166 PolarHBondContact O-N 3.43Å; I163-L167 HydrophobicContact CG2-CD1 3.89Å; I163-L167 HydrophobicContact CG2-CG 4.48Å; I163-L167 WeakPolarHBondContact O-CB 3.41Å; I163-L167 WeakPolarHBondContact O-CG 3.45Å; I163-L167 PolarHBondContact O-N 3.03Å
164	G	80.8	Confident	81.2	Confident	25 Å²	25	88.4 Å²	88.4	26%	0.258	49%	0.493	S	S	.	.	H	α-helix	trans	-62	-57.9	177.6	0	0	0	0	0	111.4	A160 A161 H166 L167 Q168	A160-G164 WeakPolarHBondContact O-CA 3.38Å; A160-G164 PolarHBondContact O-N 3.21Å; A161-G164 CarbonylContact O-C 3.59Å; A161-G164 WeakPolarHBondContact O-CA 3.46Å; A161-G164 PolarHBondContact O-N 3Å; G164-H166 VanDerWaalsContact C-N 3.29Å; G164-H166 PolarHBondContact O-N 3.41Å; G164-L167 CarbonylContact O-C 3.6Å; G164-L167 PolarHBondContact O-N 3.48Å; G164-L167 VanDerWaalsContact O-N 3.11Å; G164-Q168 WeakPolarHBondContact O-CA 3.13Å; G164-Q168 WeakPolarHBondContact O-CB 3.4Å; G164-Q168 PolarHBondContact O-N 3.08Å
165	D	81.5	Confident	81.1	Confident	90 Å²	90	90 Å²	90	48%	0.481	50%	0.495	S	S	.	.	H	α-helix	trans	-49.5	-41.3	167.1	-58.8	-15.4	0	0	0	112.4	A161 S169	A161-D165 WeakPolarHBondContact O-CA 3.46Å; A161-D165 WeakPolarHBondContact O-CB 3.36Å; A161-D165 PolarHBondContact O-N 2.81Å; D165-S169 VanDerWaalsContact O-CA 3.28Å; D165-S169 WeakPolarHBondContact O-CA 3.26Å; D165-S169 WeakPolarHBondContact O-CB 3.34Å; D165-S169 PolarHBondContact O-N 3.21Å
166	H	82	Confident	80.9	Confident	139 Å²	139	90.5 Å²	90.5	64%	0.644	50%	0.496	S	S	*	.	H	α-helix	trans	-69.5	-44.2	175	-80.1	-46.6	0	0	0	111.9	K162 I163 G164 A170	K162-H166 VanDerWaalsContact O-CB 3.26Å; K162-H166 WeakPolarHBondContact O-CB 3.47Å; K162-H166 PolarHBondContact O-CD2 3.49Å; K162-H166 PolarHBondContact O-N 3.29Å; I163-H166 PolarHBondContact O-N 3.43Å; G164-H166 VanDerWaalsContact C-N 3.29Å; G164-H166 PolarHBondContact O-N 3.41Å; H166-A170 VanDerWaalsContact O-CB 3.24Å; H166-A170 WeakPolarHBondContact O-CB 3.45Å; H166-A170 PolarHBondContact O-N 3.47Å
167	L	80.5	Confident	80.6	Confident	120 Å²	120	88.2 Å²	88.2	63%	0.628	49%	0.487	S	S	*	.	H	α-helix	trans	-69.6	-41.2	178.3	-76.7	170.9	0	0	0	112.1	I163 G164 A170 D171	I163-L167 HydrophobicContact CG2-CD1 3.89Å; I163-L167 HydrophobicContact CG2-CG 4.48Å; I163-L167 WeakPolarHBondContact O-CB 3.41Å; I163-L167 WeakPolarHBondContact O-CG 3.45Å; I163-L167 PolarHBondContact O-N 3.03Å; G164-L167 CarbonylContact O-C 3.6Å; G164-L167 PolarHBondContact O-N 3.48Å; G164-L167 VanDerWaalsContact O-N 3.11Å; L167-A170 PolarHBondContact O-N 3.09Å; L167-D171 WeakPolarHBondContact O-CA 3.47Å; L167-D171 WeakPolarHBondContact O-CB 3.47Å; L167-D171 PolarHBondContact O-N 3.32Å
168	Q	80.6	Confident	80.6	Confident	131 Å²	131	89.5 Å²	89.5	61%	0.612	49%	0.491	S	S	*	.	H	α-helix	trans	-74.4	-34.6	177.2	-175.1	179.6	2.1	0	0	109.9	G164 A172	G164-Q168 WeakPolarHBondContact O-CA 3.13Å; G164-Q168 WeakPolarHBondContact O-CB 3.4Å; G164-Q168 PolarHBondContact O-N 3.08Å; Q168-A172 VanDerWaalsContact O-CA 3.27Å; Q168-A172 WeakPolarHBondContact O-CA 3.36Å; Q168-A172 WeakPolarHBondContact O-CB 3.28Å; Q168-A172 PolarHBondContact O-N 2.66Å
169	S	80.6	Confident	80.4	Confident	57 Å²	57	87 Å²	87	40%	0.399	48%	0.479	S	S	.	.	H	α-helix	trans	-68	-41.6	170.7	178.5	0	0	0	0	110	D165 Q173	D165-S169 VanDerWaalsContact O-CA 3.28Å; D165-S169 WeakPolarHBondContact O-CA 3.26Å; D165-S169 WeakPolarHBondContact O-CB 3.34Å; D165-S169 PolarHBondContact O-N 3.21Å; S169-Q173 WeakPolarHBondContact O-CA 3.46Å; S169-Q173 WeakPolarHBondContact O-CB 3.4Å; S169-Q173 WeakPolarHBondContact O-CG 3.41Å; S169-Q173 PolarHBondContact O-N 3.26Å
170	A	81.5	Confident	80.3	Confident	53 Å²	53	85.6 Å²	85.6	44%	0.438	47%	0.471	S	S	.	.	H	α-helix	trans	-68	-44.1	176.3	0	0	0	0	0	112.1	H166 L167 Q173 R174	H166-A170 VanDerWaalsContact O-CB 3.24Å; H166-A170 WeakPolarHBondContact O-CB 3.45Å; H166-A170 PolarHBondContact O-N 3.47Å; L167-A170 PolarHBondContact O-N 3.09Å; A170-Q173 PolarHBondContact O-N 2.89Å; A170-R174 WeakPolarHBondContact O-CB 3.28Å; A170-R174 PolarHBondContact O-N 2.81Å
171	D	81.7	Confident	80.3	Confident	94 Å²	94	87.4 Å²	87.4	50%	0.503	47%	0.471	S	S	.	.	H	α-helix	trans	-72.2	-43.2	179.3	-167.2	55	0	0	0	111	L167 Q173 R174 E175	L167-D171 WeakPolarHBondContact O-CA 3.47Å; L167-D171 WeakPolarHBondContact O-CB 3.47Å; L167-D171 PolarHBondContact O-N 3.32Å; D171-Q173 VanDerWaalsContact C-N 3.33Å; D171-Q173 PolarHBondContact O-N 3.04Å; D171-R174 CarbonylContact O-C 3.51Å; D171-R174 WeakPolarHBondContact O-CB 3.44Å; D171-R174 PolarHBondContact O-N 3.22Å; D171-R174 VanDerWaalsContact O-N 3.16Å; D171-E175 WeakPolarHBondContact O-CB 3.25Å; D171-E175 PolarHBondContact O-N 3.44Å
172	A	79.3	Confident	80.1	Confident	43 Å²	43	88.5 Å²	88.5	36%	0.355	47%	0.472	S	S	.	.	H	α-helix	trans	-63.7	-37.6	170.2	0	0	0	0	0	110.9	Q168 R174 T176	Q168-A172 VanDerWaalsContact O-CA 3.27Å; Q168-A172 WeakPolarHBondContact O-CA 3.36Å; Q168-A172 WeakPolarHBondContact O-CB 3.28Å; Q168-A172 PolarHBondContact O-N 2.66Å; A172-R174 VanDerWaalsContact C-N 3.34Å; A172-T176 WeakPolarHBondContact O-CA 3.42Å; A172-T176 WeakPolarHBondContact O-CB 3.49Å; A172-T176 PolarHBondContact O-N 3.21Å; A172-T176 PolarHBondContact O-OG1 2.68Å
173	Q	81.8	Confident	80.2	Confident	134 Å²	134	82.6 Å²	82.6	63%	0.626	45%	0.447	S	S	*	.	H	α-helix	trans	-64.8	-40.3	172.8	-83.2	176.6	-5.4	0	0	111.2	S169 A170 D171 A177	S169-Q173 WeakPolarHBondContact O-CA 3.46Å; S169-Q173 WeakPolarHBondContact O-CB 3.4Å; S169-Q173 WeakPolarHBondContact O-CG 3.41Å; S169-Q173 PolarHBondContact O-N 3.26Å; A170-Q173 PolarHBondContact O-N 2.89Å; D171-Q173 VanDerWaalsContact C-N 3.33Å; D171-Q173 PolarHBondContact O-N 3.04Å; Q173-A177 WeakPolarHBondContact O-CB 3.49Å; Q173-A177 PolarHBondContact O-N 2.7Å
174	R	82.4	Confident	80	Confident	177 Å²	177	82.2 Å²	82.2	67%	0.668	45%	0.445	S	S	*	.	H	α-helix	trans	-66.7	-46	177.3	-166.8	-173.3	98.7	139.1	7.7	111.7	A170 D171 A172 A177 S178	A170-R174 WeakPolarHBondContact O-CB 3.28Å; A170-R174 PolarHBondContact O-N 2.81Å; D171-R174 CarbonylContact O-C 3.51Å; D171-R174 WeakPolarHBondContact O-CB 3.44Å; D171-R174 PolarHBondContact O-N 3.22Å; D171-R174 VanDerWaalsContact O-N 3.16Å; A172-R174 VanDerWaalsContact C-N 3.34Å; R174-A177 PolarHBondContact O-N 2.98Å; R174-S178 WeakPolarHBondContact O-CB 3.25Å; R174-S178 PolarHBondContact O-N 3.33Å
175	E	80.2	Confident	80	Confident	85 Å²	85	86.2 Å²	86.2	40%	0.397	46%	0.455	S	S	.	.	H	α-helix	trans	-68.6	-44	179.1	-172.7	59.5	-153.9	0	0	110.3	D171 A177 S178 Q179	D171-E175 WeakPolarHBondContact O-CB 3.25Å; D171-E175 PolarHBondContact O-N 3.44Å; E175-A177 VanDerWaalsContact C-N 3.32Å; E175-A177 PolarHBondContact O-N 2.98Å; E175-S178 PolarHBondContact O-N 2.73Å; E175-Q179 HydrophobicContact CG-CG 4.45Å; E175-Q179 VanDerWaalsContact O-CB 3.28Å; E175-Q179 WeakPolarHBondContact O-CB 3.36Å; E175-Q179 VanDerWaalsContact O-CG 3.24Å; E175-Q179 WeakPolarHBondContact O-CG 3.45Å; E175-Q179 PolarHBondContact O-N 2.84Å; E175-Q179 PolarHBondContact OE1-NE2 3.36Å
176	T	77.5	Confident	79.9	Confident	79 Å²	79	84.2 Å²	84.2	49%	0.485	44%	0.441	S	S	.	.	H	α-helix	trans	-60.5	-43.6	172	-55.4	0	0	0	0	109.8	A172 T180	A172-T176 WeakPolarHBondContact O-CA 3.42Å; A172-T176 WeakPolarHBondContact O-CB 3.49Å; A172-T176 PolarHBondContact O-N 3.21Å; A172-T176 PolarHBondContact O-OG1 2.68Å; T176-T180 WeakPolarHBondContact O-CA 3.47Å; T176-T180 WeakPolarHBondContact O-CB 3.36Å; T176-T180 PolarHBondContact O-N 2.86Å; T176-T180 PolarHBondContact O-OG1 3.25Å
177	A	79.8	Confident	79.6	Confident	48 Å²	48	79.6 Å²	79.6	40%	0.397	42%	0.421	S	S	.	.	H	α-helix	trans	-63.8	-42.7	176.5	0	0	0	0	0	111.8	Q173 R174 E175 T180 I181	Q173-A177 WeakPolarHBondContact O-CB 3.49Å; Q173-A177 PolarHBondContact O-N 2.7Å; R174-A177 PolarHBondContact O-N 2.98Å; E175-A177 VanDerWaalsContact C-N 3.32Å; E175-A177 PolarHBondContact O-N 2.98Å; A177-T180 PolarHBondContact O-N 3.13Å; A177-I181 WeakPolarHBondContact O-CB 3.24Å; A177-I181 WeakPolarHBondContact O-CD1 3.14Å; A177-I181 WeakPolarHBondContact O-CG1 3.35Å; A177-I181 PolarHBondContact O-N 2.85Å
178	S	82	Confident	79.3	Confident	57 Å²	57	80.2 Å²	80.2	40%	0.399	42%	0.422	S	S	.	.	H	α-helix	trans	-64.4	-49.5	177.1	-162.6	0	0	0	0	111.5	R174 E175 T180 I181 D182	R174-S178 WeakPolarHBondContact O-CB 3.25Å; R174-S178 PolarHBondContact O-N 3.33Å; E175-S178 PolarHBondContact O-N 2.73Å; S178-T180 VanDerWaalsContact C-N 3.3Å; S178-T180 PolarHBondContact O-N 2.64Å; S178-I181 PolarHBondContact O-N 3.38Å; S178-D182 PolarHBondContact O-N 2.99Å
179	Q	78.1	Confident	79.1	Confident	77 Å²	77	77.6 Å²	77.6	36%	0.36	41%	0.41	S	S	.	.	H	α-helix	trans	-61.6	-38.7	175.6	-70.3	-179.7	16.7	0	0	111.3	E175 D182 L183	E175-Q179 HydrophobicContact CG-CG 4.45Å; E175-Q179 VanDerWaalsContact O-CB 3.28Å; E175-Q179 WeakPolarHBondContact O-CB 3.36Å; E175-Q179 VanDerWaalsContact O-CG 3.24Å; E175-Q179 WeakPolarHBondContact O-CG 3.45Å; E175-Q179 PolarHBondContact O-N 2.84Å; E175-Q179 PolarHBondContact OE1-NE2 3.36Å; Q179-D182 PolarHBondContact O-N 2.93Å; Q179-L183 VanDerWaalsContact O-CB 3.28Å; Q179-L183 WeakPolarHBondContact O-CB 3.35Å; Q179-L183 WeakPolarHBondContact O-CD1 3.3Å; Q179-L183 WeakPolarHBondContact O-CG 3.42Å; Q179-L183 PolarHBondContact O-N 3.36Å
180	T	76.4	Confident	78.9	Confident	52 Å²	52	74.9 Å²	74.9	32%	0.319	39%	0.391	S	S	.	.	H	α-helix	trans	-66.3	-40.4	176.4	-59.1	0	0	0	0	110.9	T176 A177 S178 D182 L183 I184	T176-T180 WeakPolarHBondContact O-CA 3.47Å; T176-T180 WeakPolarHBondContact O-CB 3.36Å; T176-T180 PolarHBondContact O-N 2.86Å; T176-T180 PolarHBondContact O-OG1 3.25Å; A177-T180 PolarHBondContact O-N 3.13Å; S178-T180 VanDerWaalsContact C-N 3.3Å; S178-T180 PolarHBondContact O-N 2.64Å; T180-D182 VanDerWaalsContact C-N 3.33Å; T180-D182 PolarHBondContact O-N 3.21Å; T180-L183 PolarHBondContact O-N 3.12Å; T180-I184 HydrophobicContact CG2-CD1 3.79Å; T180-I184 HydrophobicContact CG2-CG1 4.27Å; T180-I184 WeakPolarHBondContact O-CB 3.38Å; T180-I184 WeakPolarHBondContact O-CG1 3.29Å; T180-I184 PolarHBondContact O-N 3.4Å
181	I	79.6	Confident	78.5	Confident	94 Å²	94	76 Å²	76	48%	0.482	39%	0.39	S	S	.	.	H	α-helix	trans	-60.7	-45.3	174.9	-73.3	163.2	0	0	0	110.4	A177 S178 I184 K185	A177-I181 WeakPolarHBondContact O-CB 3.24Å; A177-I181 WeakPolarHBondContact O-CD1 3.14Å; A177-I181 WeakPolarHBondContact O-CG1 3.35Å; A177-I181 PolarHBondContact O-N 2.85Å; S178-I181 PolarHBondContact O-N 3.38Å; I181-I184 PolarHBondContact O-N 3.4Å; I181-K185 WeakPolarHBondContact O-CG 3.31Å; I181-K185 PolarHBondContact O-N 2.85Å
182	D	78.6	Confident	77.8	Confident	61 Å²	61	72.7 Å²	72.7	33%	0.326	38%	0.378	S	S	.	.	H	α-helix	trans	-71	-38.7	179.9	-67.1	-27.4	0	0	0	111.9	S178 Q179 T180 I184 K185 Y186	S178-D182 PolarHBondContact O-N 2.99Å; Q179-D182 PolarHBondContact O-N 2.93Å; T180-D182 VanDerWaalsContact C-N 3.33Å; T180-D182 PolarHBondContact O-N 3.21Å; D182-I184 PolarHBondContact O-N 2.82Å; D182-K185 WeakPolarHBondContact O-CB 3.29Å; D182-K185 PolarHBondContact O-N 3Å; D182-K185 IonicContact OD1-NZ 2.83Å; D182-K185 PolarHBondContact OD1-NZ 2.9Å; D182-Y186 HydrophobicContact CB-CE2 4.23Å; D182-Y186 WeakPolarHBondContact O-CD2 3.44Å; D182-Y186 PolarHBondContact O-N 3.23Å
183	L	79.7	Confident	76.7	Confident	20 Å²	20	74 Å²	74	11%	0.105	39%	0.385	C	S	.	.	H	α-helix	trans	-59.4	-44.2	170.6	-74.6	162.9	0	0	0	111.4	Q179 T180 K185 Y186 L187 I216 K219 L220 F223	Q179-L183 VanDerWaalsContact O-CB 3.28Å; Q179-L183 WeakPolarHBondContact O-CB 3.35Å; Q179-L183 WeakPolarHBondContact O-CD1 3.3Å; Q179-L183 WeakPolarHBondContact O-CG 3.42Å; Q179-L183 PolarHBondContact O-N 3.36Å; T180-L183 PolarHBondContact O-N 3.12Å; L183-K185 VanDerWaalsContact C-N 3.33Å; L183-K185 PolarHBondContact O-N 3.31Å; L183-Y186 PolarHBondContact O-N 2.64Å; L183-L187 WeakPolarHBondContact O-CB 3.28Å; L183-L187 PolarHBondContact O-N 3.41Å; L183-I216 HydrophobicContact CD2-CG2 4.2Å; L183-K219 HydrophobicContact CD2-CB 4.01Å; L183-L220 HydrophobicContact CB-CD2 3.75Å; L183-L220 HydrophobicContact CD2-CD2 3.43Å; L183-L220 VanDerWaalsContact CD2-CD2 3.43Å; L183-L220 HydrophobicContact CD2-CG 3.61Å; L183-L220 HydrophobicContact CG-CD2 4.2Å; L183-L220 WeakPolarHBondContact O-CD2 3.31Å; L183-F223 HydrophobicContact CD1-CD2 4.3Å; L183-F223 HydrophobicContact CD1-CE2 3.85Å
184	I	75.3	Confident	75.4	Confident	90 Å²	90	72.7 Å²	72.7	46%	0.462	39%	0.387	S	S	.	.	H	α-helix	trans	-62.2	-41.9	176.3	-71.7	166.8	0	0	0	110.5	T180 I181 D182 L187 M188	T180-I184 HydrophobicContact CG2-CD1 3.79Å; T180-I184 HydrophobicContact CG2-CG1 4.27Å; T180-I184 WeakPolarHBondContact O-CB 3.38Å; T180-I184 WeakPolarHBondContact O-CG1 3.29Å; T180-I184 PolarHBondContact O-N 3.4Å; I181-I184 PolarHBondContact O-N 3.4Å; D182-I184 PolarHBondContact O-N 2.82Å; I184-L187 PolarHBondContact O-N 3.04Å; I184-M188 HydrophobicContact CG2-CG 4.46Å; I184-M188 HydrophobicContact CG2-SD 4.22Å; I184-M188 VanDerWaalsContact O-CG 3.29Å; I184-M188 WeakPolarHBondContact O-CG 3.39Å; I184-M188 PolarHBondContact O-N 3.06Å
185	K	80.1	Confident	74	Confident	110 Å²	110	67.3 Å²	67.3	48%	0.478	39%	0.387	S	S	.	.	H	α-helix	trans	-59.7	-48.7	175.5	-71.3	172.8	-164.9	155.3	0	111.3	I181 D182 L183 L187 M188 E189	I181-K185 WeakPolarHBondContact O-CG 3.31Å; I181-K185 PolarHBondContact O-N 2.85Å; D182-K185 WeakPolarHBondContact O-CB 3.29Å; D182-K185 PolarHBondContact O-N 3Å; D182-K185 IonicContact OD1-NZ 2.83Å; D182-K185 PolarHBondContact OD1-NZ 2.9Å; L183-K185 VanDerWaalsContact C-N 3.33Å; L183-K185 PolarHBondContact O-N 3.31Å; K185-L187 VanDerWaalsContact C-N 3.35Å; K185-L187 PolarHBondContact O-N 3.17Å; K185-M188 WeakPolarHBondContact O-CB 3.45Å; K185-M188 PolarHBondContact O-N 3.42Å; K185-M188 VanDerWaalsContact O-N 3.16Å; K185-E189 PolarHBondContact O-N 3.49Å
186	Y	80.4	Confident	72.7	Confident	47 Å²	47	67.7 Å²	67.7	18%	0.184	39%	0.392	C	S	.	.	H	α-helix	trans	-64.2	-38.9	177.9	-62.5	-45.5	0	0	0	112	D182 L183 M188 E189 F190 S201 F204 I216	D182-Y186 HydrophobicContact CB-CE2 4.23Å; D182-Y186 WeakPolarHBondContact O-CD2 3.44Å; D182-Y186 PolarHBondContact O-N 3.23Å; L183-Y186 PolarHBondContact O-N 2.64Å; Y186-M188 VanDerWaalsContact C-N 3.28Å; Y186-M188 PolarHBondContact O-N 2.93Å; Y186-E189 WeakPolarHBondContact O-CB 3.34Å; Y186-E189 PolarHBondContact O-N 2.84Å; Y186-E189 VanDerWaalsContact O-N 3.12Å; Y186-F190 VanDerWaalsContact O-CD2 3.23Å; Y186-F190 WeakPolarHBondContact O-CD2 3.3Å; Y186-F190 PolarHBondContact O-N 3.4Å; Y186-S201 WeakPolarHBondContact CD1-OG 3.33Å; Y186-S201 VanDerWaalsContact CE1-OG 3.23Å; Y186-S201 WeakPolarHBondContact CE1-OG 3.47Å; Y186-F204 AromaticContact CD1-CE2 3.58Å; Y186-F204 HydrophobicContact CD1-CE2 3.58Å; Y186-F204 HydrophobicContact CD1-CZ 4.08Å; Y186-F204 HydrophobicContact CD2-CZ 4.47Å; Y186-F204 HydrophobicContact CE1-CE2 4.08Å; Y186-F204 AromaticContact CG-CE2 3.96Å; Y186-F204 HydrophobicContact CG-CE2 3.96Å; Y186-F204 AromaticContact CG-CZ 3.98Å; Y186-F204 HydrophobicContact CG-CZ 3.98Å; Y186-I216 HydrophobicContact CD2-CG2 3.65Å; Y186-I216 HydrophobicContact CE2-CD1 4.18Å; Y186-I216 HydrophobicContact CE2-CG2 4.09Å; Y186-I216 HydrophobicContact CG-CG2 4.42Å
187	L	74.8	Confident	71.5	Confident	42 Å²	42	66 Å²	66	22%	0.22	38%	0.38	C	S	.	.	H	α-helix	trans	-61.2	-38.2	174	-168.9	68.3	0	0	0	111.7	L183 I184 K185 F190 N191 L220 A224 L246 A249 L253	L183-L187 WeakPolarHBondContact O-CB 3.28Å; L183-L187 PolarHBondContact O-N 3.41Å; I184-L187 PolarHBondContact O-N 3.04Å; K185-L187 VanDerWaalsContact C-N 3.35Å; K185-L187 PolarHBondContact O-N 3.17Å; L187-F190 PolarHBondContact O-N 2.97Å; L187-N191 PolarHBondContact O-N 3.41Å; L187-N191 VanDerWaalsContact O-N 3.11Å; L187-L220 HydrophobicContact CB-CD2 4.11Å; L187-A224 HydrophobicContact CD1-CB 4.42Å; L187-L246 HydrophobicContact CD2-CD1 4.12Å; L187-A249 HydrophobicContact CD1-CB 4.17Å; L187-L253 HydrophobicContact CD1-CD1 3.7Å
188	M	75.4	Confident	70.2	Confident	133 Å²	133	71.5 Å²	71.5	66%	0.655	40%	0.399	S	S	*	.	H	α-helix	trans	-66	-36.4	174.3	-72.2	178.1	64.7	0	0	112.2	I184 K185 Y186 F190 N191	I184-M188 HydrophobicContact CG2-CG 4.46Å; I184-M188 HydrophobicContact CG2-SD 4.22Å; I184-M188 VanDerWaalsContact O-CG 3.29Å; I184-M188 WeakPolarHBondContact O-CG 3.39Å; I184-M188 PolarHBondContact O-N 3.06Å; K185-M188 WeakPolarHBondContact O-CB 3.45Å; K185-M188 PolarHBondContact O-N 3.42Å; K185-M188 VanDerWaalsContact O-N 3.16Å; Y186-M188 VanDerWaalsContact C-N 3.28Å; Y186-M188 PolarHBondContact O-N 2.93Å; M188-F190 VanDerWaalsContact C-N 3.33Å; M188-N191 PolarHBondContact O-N 2.98Å
189	E	76.3	Confident	68.9	Low	76 Å²	76	77.1 Å²	77.1	36%	0.355	42%	0.419	S	S	.	.	H	α-helix	trans	-61.7	-41.5	172.5	-66.8	174.2	-159.6	0	0	111	K185 Y186 N191 G192 L200 S201	K185-E189 PolarHBondContact O-N 3.49Å; Y186-E189 WeakPolarHBondContact O-CB 3.34Å; Y186-E189 PolarHBondContact O-N 2.84Å; Y186-E189 VanDerWaalsContact O-N 3.12Å; E189-N191 VanDerWaalsContact C-N 3.3Å; E189-N191 PolarHBondContact O-N 3.4Å; E189-G192 PolarHBondContact O-N 3.21Å; E189-L200 HydrophobicContact CB-CD2 3.91Å; E189-S201 WeakPolarHBondContact OE2-CB 3.39Å; E189-S201 PolarHBondContact OE2-N 3.44Å; E189-S201 VanDerWaalsContact OE2-N 3.09Å; E189-S201 PolarHBondContact OE2-OG 2.83Å
190	F	75.8	Confident	68.1	Low	0 Å²	0	74.4 Å²	74.4	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-73.3	-14	176.4	-77.4	-74.2	0	0	0	114.7	Y186 L187 M188 G192 L200 F204 L220 A249 N252 L253 Y256	Y186-F190 VanDerWaalsContact O-CD2 3.23Å; Y186-F190 WeakPolarHBondContact O-CD2 3.3Å; Y186-F190 PolarHBondContact O-N 3.4Å; L187-F190 PolarHBondContact O-N 2.97Å; M188-F190 VanDerWaalsContact C-N 3.33Å; F190-G192 PolarHBondContact O-N 3.41Å; F190-L200 HydrophobicContact CD1-CD2 4.21Å; F190-L200 HydrophobicContact CD2-CD2 4.2Å; F190-L200 HydrophobicContact CE1-CD1 3.77Å; F190-L200 HydrophobicContact CE1-CD2 3.9Å; F190-L200 HydrophobicContact CE2-CD2 3.88Å; F190-L200 HydrophobicContact CG-CD2 4.35Å; F190-L200 HydrophobicContact CZ-CD1 4.01Å; F190-L200 HydrophobicContact CZ-CD2 3.72Å; F190-F204 HydrophobicContact CE2-CE1 4.09Å; F190-F204 HydrophobicContact CE2-CE2 4.06Å; F190-F204 AromaticContact CE2-CZ 3.82Å; F190-F204 HydrophobicContact CE2-CZ 3.82Å; F190-F204 HydrophobicContact CZ-CD1 4.35Å; F190-F204 HydrophobicContact CZ-CE1 4.29Å; F190-F204 HydrophobicContact CZ-CZ 4.4Å; F190-L220 HydrophobicContact CD2-CD1 4.33Å; F190-L220 HydrophobicContact CE2-CD1 4.31Å; F190-A249 HydrophobicContact CB-CB 4.5Å; F190-A249 WeakPolarHBondContact O-CA 3.22Å; F190-N252 HydrophobicContact CD1-CB 4.2Å; F190-N252 WeakPolarHBondContact O-CB 3.38Å; F190-N252 PolarHBondContact O-ND2 3.19Å; F190-L253 HydrophobicContact CB-CD2 4.41Å; F190-L253 HydrophobicContact CB-CG 4.03Å; F190-L253 HydrophobicContact CD1-CD2 4.02Å; F190-L253 HydrophobicContact CD1-CG 4.12Å; F190-L253 HydrophobicContact CD2-CD2 3.39Å; F190-L253 HydrophobicContact CD2-CG 3.98Å; F190-L253 HydrophobicContact CE1-CD2 4.11Å; F190-L253 HydrophobicContact CE2-CD2 3.52Å; F190-L253 HydrophobicContact CG-CD2 3.68Å; F190-L253 HydrophobicContact CG-CG 3.77Å; F190-L253 HydrophobicContact CZ-CD2 3.89Å; F190-Y256 HydrophobicContact CE1-CD1 4.38Å; F190-Y256 HydrophobicContact CE1-CD2 4.44Å; F190-Y256 AromaticContact CE1-CG 3.93Å; F190-Y256 HydrophobicContact CE1-CG 3.93Å; F190-Y256 AromaticContact CZ-CD1 3.99Å; F190-Y256 HydrophobicContact CZ-CD1 3.99Å; F190-Y256 HydrophobicContact CZ-CD2 4.47Å; F190-Y256 AromaticContact CZ-CG 3.96Å; F190-Y256 HydrophobicContact CZ-CG 3.96Å
191	N	72.7	Confident	67.5	Low	78 Å²	78	73.4 Å²	73.4	42%	0.417	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	4	177.4	-161.8	9.4	0	0	0	113.2	L187 M188 E189 G245 A249	L187-N191 PolarHBondContact O-N 3.41Å; L187-N191 VanDerWaalsContact O-N 3.11Å; M188-N191 PolarHBondContact O-N 2.98Å; E189-N191 VanDerWaalsContact C-N 3.3Å; E189-N191 PolarHBondContact O-N 3.4Å; N191-G245 WeakPolarHBondContact OD1-CA 3.38Å; N191-G245 PolarHBondContact OD1-O 2.77Å; N191-A249 HydrophobicContact CB-CB 4.11Å
192	G	67.4	Low	67	Low	24 Å²	24	72.4 Å²	72.4	25%	0.247	41%	0.408	C	S	.	.	S	Bend	trans	-68.7	162.9	174.6	0	0	0	0	0	113.8	E189 F190 N252	E189-G192 PolarHBondContact O-N 3.21Å; F190-G192 PolarHBondContact O-N 3.41Å; G192-N252 PolarHBondContact O-ND2 3.02Å
193	S	57	Low	66.7	Low	71 Å²	71	69.7 Å²	69.7	50%	0.497	39%	0.393	S	S	.	.			trans	-54.9	147.7	171.4	-10.1	0	0	0	0	110.3	G195 D196	S193-G195 PolarHBondContact O-N 3.16Å; S193-D196 PolarHBondContact O-N 3.13Å; S193-D196 PolarHBondContact OG-OD2 2.84Å
194	P	53.9	Low	66.4	Low	105 Å²	105	69.1 Å²	69.1	68%	0.682	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-18.6	-175.5	-26.4	32	0	0	0	116.1
195	G	53.7	Low	66.1	Low	64 Å²	64	68.3 Å²	68.3	66%	0.66	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-15.7	176.4	0	0	0	0	0	115.6	S193 L197	S193-G195 PolarHBondContact O-N 3.16Å; G195-L197 VanDerWaalsContact C-N 3.34Å
196	D	53.2	Low	65.7	Low	94 Å²	94	66.1 Å²	66.1	50%	0.503	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-88.9	1.4	-175.2	-65.4	-38	0	0	0	113	S193 M198 E199	S193-D196 PolarHBondContact O-N 3.13Å; S193-D196 PolarHBondContact OG-OD2 2.84Å; D196-M198 PolarHBondContact O-N 2.97Å; D196-E199 PolarHBondContact O-N 3.25Å; D196-E199 VanDerWaalsContact O-N 3.17Å
197	L	51.1	Low	65.3	Low	43 Å²	43	68.2 Å²	68.2	23%	0.225	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-57.6	-17.5	175.4	-102.1	92.2	0	0	0	113.4	G195 E199 L200 N252	G195-L197 VanDerWaalsContact C-N 3.34Å; L197-E199 PolarHBondContact O-N 3.26Å; L197-L200 HydrophobicContact CB-CD1 4.32Å; L197-L200 HydrophobicContact CD2-CD1 3.97Å; L197-L200 HydrophobicContact CG-CD1 3.98Å; L197-L200 WeakPolarHBondContact O-CD1 3.27Å; L197-L200 WeakPolarHBondContact O-CG 2.99Å; L197-L200 PolarHBondContact O-N 3.03Å; L197-N252 HydrophobicContact CD1-CB 4.11Å
198	M	52.2	Low	65.1	Low	164 Å²	164	70.9 Å²	70.9	81%	0.808	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-69.3	-10.8	179.2	-71.9	-89.3	49.8	0	0	114.4	D196	D196-M198 PolarHBondContact O-N 2.97Å
199	E	55.4	Low	65.3	Low	175 Å²	175	69.1 Å²	69.1	82%	0.818	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-104.7	15.1	177.4	-63.2	-167.2	167.5	0	0	114	D196 L197	D196-E199 PolarHBondContact O-N 3.25Å; D196-E199 VanDerWaalsContact O-N 3.17Å; L197-E199 PolarHBondContact O-N 3.26Å
200	L	61.6	Low	65.4	Low	20 Å²	20	65.8 Å²	65.8	11%	0.105	39%	0.393	C	S	.	.			trans	-55.9	143.6	173.2	-78.8	162.5	0	0	0	111.2	E189 F190 L197 F204	E189-L200 HydrophobicContact CB-CD2 3.91Å; F190-L200 HydrophobicContact CD1-CD2 4.21Å; F190-L200 HydrophobicContact CD2-CD2 4.2Å; F190-L200 HydrophobicContact CE1-CD1 3.77Å; F190-L200 HydrophobicContact CE1-CD2 3.9Å; F190-L200 HydrophobicContact CE2-CD2 3.88Å; F190-L200 HydrophobicContact CG-CD2 4.35Å; F190-L200 HydrophobicContact CZ-CD1 4.01Å; F190-L200 HydrophobicContact CZ-CD2 3.72Å; L197-L200 HydrophobicContact CB-CD1 4.32Å; L197-L200 HydrophobicContact CD2-CD1 3.97Å; L197-L200 HydrophobicContact CG-CD1 3.98Å; L197-L200 WeakPolarHBondContact O-CD1 3.27Å; L197-L200 WeakPolarHBondContact O-CG 2.99Å; L197-L200 PolarHBondContact O-N 3.03Å; L200-F204 HydrophobicContact CB-CB 4.22Å; L200-F204 HydrophobicContact CB-CD2 4.24Å; L200-F204 HydrophobicContact CD2-CD2 4.07Å; L200-F204 HydrophobicContact CD2-CE2 4.45Å
201	S	63.8	Low	65.5	Low	31 Å²	31	68.1 Å²	68.1	22%	0.217	41%	0.412	C	S	.	.			trans	-52.7	144.4	178.5	40.3	0	0	0	0	112.2	Y186 E189 L203 F204	Y186-S201 WeakPolarHBondContact CD1-OG 3.33Å; Y186-S201 VanDerWaalsContact CE1-OG 3.23Å; Y186-S201 WeakPolarHBondContact CE1-OG 3.47Å; E189-S201 WeakPolarHBondContact OE2-CB 3.39Å; E189-S201 PolarHBondContact OE2-N 3.44Å; E189-S201 VanDerWaalsContact OE2-N 3.09Å; E189-S201 PolarHBondContact OE2-OG 2.83Å; S201-L203 PolarHBondContact O-N 3.39Å; S201-F204 PolarHBondContact O-N 2.98Å; S201-F204 WeakPolarHBondContact OG-CD2 3.36Å
202	A	68.4	Low	65.7	Low	72 Å²	72	68.6 Å²	68.6	60%	0.595	41%	0.412	S	S	*	.	H	α-helix	trans	-53.6	-21	-171.3	0	0	0	0	0	114.8	F204 S205 D206	A202-F204 VanDerWaalsContact C-N 3.28Å; A202-F204 PolarHBondContact O-N 3.42Å; A202-S205 PolarHBondContact O-N 3.33Å; A202-D206 WeakPolarHBondContact O-CB 3.47Å; A202-D206 PolarHBondContact O-N 3.25Å
203	L	71.9	Confident	66.4	Low	4 Å²	4	67.5 Å²	67.5	2%	0.021	40%	0.401	C	S	.	.	H	α-helix	trans	-50.8	-45.7	169.1	179.7	96.9	0	0	0	112.2	S201 S205 E212 A213 I216	S201-L203 PolarHBondContact O-N 3.39Å; L203-S205 VanDerWaalsContact C-N 3.35Å; L203-E212 HydrophobicContact CD1-CB 4.11Å; L203-E212 HydrophobicContact CD1-CG 3.86Å; L203-A213 HydrophobicContact CG-CB 4.3Å; L203-I216 HydrophobicContact CD1-CD1 4.15Å; L203-I216 HydrophobicContact CD2-CB 4.48Å; L203-I216 HydrophobicContact CD2-CD1 3.57Å
204	F	73.7	Confident	67.4	Low	8 Å²	8	64.1 Å²	64.1	4%	0.035	38%	0.377	C	S	.	.	H	α-helix	trans	-81.2	-15.8	-174.5	-62.3	-68.2	0	0	0	113.7	Y186 F190 L200 S201 A202 A213 I216 Y256	Y186-F204 AromaticContact CD1-CE2 3.58Å; Y186-F204 HydrophobicContact CD1-CE2 3.58Å; Y186-F204 HydrophobicContact CD1-CZ 4.08Å; Y186-F204 HydrophobicContact CD2-CZ 4.47Å; Y186-F204 HydrophobicContact CE1-CE2 4.08Å; Y186-F204 AromaticContact CG-CE2 3.96Å; Y186-F204 HydrophobicContact CG-CE2 3.96Å; Y186-F204 AromaticContact CG-CZ 3.98Å; Y186-F204 HydrophobicContact CG-CZ 3.98Å; F190-F204 HydrophobicContact CE2-CE1 4.09Å; F190-F204 HydrophobicContact CE2-CE2 4.06Å; F190-F204 AromaticContact CE2-CZ 3.82Å; F190-F204 HydrophobicContact CE2-CZ 3.82Å; F190-F204 HydrophobicContact CZ-CD1 4.35Å; F190-F204 HydrophobicContact CZ-CE1 4.29Å; F190-F204 HydrophobicContact CZ-CZ 4.4Å; L200-F204 HydrophobicContact CB-CB 4.22Å; L200-F204 HydrophobicContact CB-CD2 4.24Å; L200-F204 HydrophobicContact CD2-CD2 4.07Å; L200-F204 HydrophobicContact CD2-CE2 4.45Å; S201-F204 PolarHBondContact O-N 2.98Å; S201-F204 WeakPolarHBondContact OG-CD2 3.36Å; A202-F204 VanDerWaalsContact C-N 3.28Å; A202-F204 PolarHBondContact O-N 3.42Å; F204-A213 HydrophobicContact CD1-CB 4.11Å; F204-I216 HydrophobicContact CE1-CG2 4.35Å; F204-I216 HydrophobicContact CZ-CG2 4.06Å; F204-Y256 WeakPolarHBondContact CA-OH 3.44Å; F204-Y256 HydrophobicContact CB-CE2 4.01Å; F204-Y256 WeakPolarHBondContact CB-OH 3.32Å; F204-Y256 AromaticContact CD1-CE1 3.67Å; F204-Y256 HydrophobicContact CD1-CE1 3.67Å; F204-Y256 HydrophobicContact CD1-CE2 4.46Å; F204-Y256 AromaticContact CD1-CZ 3.62Å; F204-Y256 WeakPolarHBondContact CD1-OH 3.44Å; F204-Y256 HydrophobicContact CE1-CE1 4.31Å; F204-Y256 PolarHBondContact O-OH 3.02Å
205	S	69.8	Low	68.7	Low	73 Å²	73	61 Å²	61	51%	0.51	36%	0.357	S	S	.	.	H	α-helix	trans	-101.7	-20	-178.9	-53.2	0	0	0	0	113.3	A202 L203	A202-S205 PolarHBondContact O-N 3.33Å; L203-S205 VanDerWaalsContact C-N 3.35Å
206	D	72	Confident	70	Confident	65 Å²	65	59.2 Å²	59.2	35%	0.348	33%	0.333	S	S	.	.			trans	-88.4	115.2	-174.4	-175.2	-7.7	0	0	0	112.6	A202 S208 R209	A202-D206 WeakPolarHBondContact O-CB 3.47Å; A202-D206 PolarHBondContact O-N 3.25Å; D206-S208 PolarHBondContact O-N 3.35Å; D206-S208 VanDerWaalsContact O-N 3.16Å; D206-S208 WeakPolarHBondContact OD1-CB 3.39Å; D206-S208 PolarHBondContact OD1-N 2.9Å; D206-S208 PolarHBondContact OD1-OG 2.84Å; D206-S208 PolarHBondContact OD2-OG 3.36Å; D206-R209 PolarHBondContact O-N 3.09Å
207	D	70.3	Confident	71.3	Confident	91 Å²	91	54.7 Å²	54.7	49%	0.487	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-59.8	-24.3	178.8	-78.8	23.9	0	0	0	114.3	R209 V210 R263	D207-R209 VanDerWaalsContact C-N 3.31Å; D207-V210 VanDerWaalsContact O-CG2 3.31Å; D207-V210 WeakPolarHBondContact O-CG2 3.49Å; D207-R263 IonicContact OD1-CZ 3.81Å; D207-R263 IonicContact OD1-NH1 2.73Å; D207-R263 PolarHBondContact OD1-NH1 2.71Å; D207-R263 IonicContact OD1-NH2 2.78Å; D207-R263 PolarHBondContact OD1-NH2 3.43Å
208	S	72.3	Confident	72.6	Confident	98 Å²	98	55 Å²	55	69%	0.685	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-75.5	-21.8	177.6	72.3	0	0	0	0	112.8	D206	D206-S208 PolarHBondContact O-N 3.35Å; D206-S208 VanDerWaalsContact O-N 3.16Å; D206-S208 WeakPolarHBondContact OD1-CB 3.39Å; D206-S208 PolarHBondContact OD1-N 2.9Å; D206-S208 PolarHBondContact OD1-OG 2.84Å; D206-S208 PolarHBondContact OD2-OG 3.36Å
209	R	78.2	Confident	73.9	Confident	96 Å²	96	51.1 Å²	51.1	36%	0.362	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-108.4	14.4	-176.2	-62.1	-176.8	69.8	-172.3	3	113.6	D206 D207 A211 E212 A213	D206-R209 PolarHBondContact O-N 3.09Å; D207-R209 VanDerWaalsContact C-N 3.31Å; R209-A211 PolarHBondContact O-N 2.71Å; R209-A211 VanDerWaalsContact O-N 3.12Å; R209-E212 IonicContact CZ-OE2 2.75Å; R209-E212 VanDerWaalsContact CZ-OE2 3.23Å; R209-E212 IonicContact NE-OE2 3.87Å; R209-E212 PolarHBondContact NE-OE2 3.3Å; R209-E212 IonicContact NH2-OE1 3.73Å; R209-E212 PolarHBondContact NH2-OE1 3.41Å; R209-E212 IonicContact NH2-OE2 2.96Å; R209-E212 PolarHBondContact NH2-OE2 3.41Å; R209-E212 WeakPolarHBondContact O-CA 3.32Å; R209-E212 WeakPolarHBondContact O-CB 3.4Å; R209-E212 PolarHBondContact O-N 3.34Å; R209-A213 PolarHBondContact O-N 3.32Å
210	V	80.1	Confident	75.1	Confident	6 Å²	6	43 Å²	43	4%	0.036	25%	0.25	C	C	.	.	H	α-helix	trans	-53.8	-36.9	-176.7	169.6	0	0	0	0	113.5	D207 E212 A214 L260 L264	D207-V210 VanDerWaalsContact O-CG2 3.31Å; D207-V210 WeakPolarHBondContact O-CG2 3.49Å; V210-E212 VanDerWaalsContact C-N 3.32Å; V210-E212 PolarHBondContact O-N 2.81Å; V210-A214 WeakPolarHBondContact O-CB 3.5Å; V210-A214 PolarHBondContact O-N 3.14Å; V210-L260 HydrophobicContact CG1-CD1 4.05Å; V210-L264 HydrophobicContact CG1-CD1 4.21Å; V210-L264 HydrophobicContact CG1-CD2 3.64Å; V210-L264 HydrophobicContact CG1-CG 4.05Å
211	A	75.8	Confident	75.8	Confident	49 Å²	49	44.2 Å²	44.2	41%	0.405	25%	0.253	S	S	.	.	H	α-helix	trans	-63.4	-38.4	176.5	0	0	0	0	0	112.5	R209 S215 I286	R209-A211 PolarHBondContact O-N 2.71Å; R209-A211 VanDerWaalsContact O-N 3.12Å; A211-S215 PolarHBondContact O-N 3.14Å; A211-I286 HydrophobicContact CB-CD1 3.76Å; A211-I286 HydrophobicContact CB-CG1 3.85Å
212	E	78.4	Confident	76.4	Confident	87 Å²	87	45 Å²	45	41%	0.407	26%	0.259	S	S	.	.	H	α-helix	trans	-74.5	-45.3	179.1	-160.7	-175	170.2	0	0	110.6	L203 R209 V210 A214 S215 I216	L203-E212 HydrophobicContact CD1-CB 4.11Å; L203-E212 HydrophobicContact CD1-CG 3.86Å; R209-E212 IonicContact CZ-OE2 2.75Å; R209-E212 VanDerWaalsContact CZ-OE2 3.23Å; R209-E212 IonicContact NE-OE2 3.87Å; R209-E212 PolarHBondContact NE-OE2 3.3Å; R209-E212 IonicContact NH2-OE1 3.73Å; R209-E212 PolarHBondContact NH2-OE1 3.41Å; R209-E212 IonicContact NH2-OE2 2.96Å; R209-E212 PolarHBondContact NH2-OE2 3.41Å; R209-E212 WeakPolarHBondContact O-CA 3.32Å; R209-E212 WeakPolarHBondContact O-CB 3.4Å; R209-E212 PolarHBondContact O-N 3.34Å; V210-E212 VanDerWaalsContact C-N 3.32Å; V210-E212 PolarHBondContact O-N 2.81Å; E212-A214 VanDerWaalsContact C-N 3.33Å; E212-A214 PolarHBondContact O-N 3.38Å; E212-S215 PolarHBondContact O-N 3.12Å; E212-I216 HydrophobicContact CG-CD1 4.14Å; E212-I216 WeakPolarHBondContact O-CG1 3.47Å; E212-I216 PolarHBondContact O-N 3.01Å
213	A	81.7	Confident	76.7	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.008	25%	0.254	C	S	.	.	H	α-helix	trans	-57.4	-45	174.4	0	0	0	0	0	111.9	L203 F204 R209 I216 A217	L203-A213 HydrophobicContact CG-CB 4.3Å; F204-A213 HydrophobicContact CD1-CB 4.11Å; R209-A213 PolarHBondContact O-N 3.32Å; A213-I216 PolarHBondContact O-N 3.29Å; A213-A217 VanDerWaalsContact O-CB 3.26Å; A213-A217 WeakPolarHBondContact O-CB 3.26Å; A213-A217 PolarHBondContact O-N 2.64Å
214	A	78.5	Confident	76.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-48.9	176.4	0	0	0	0	0	112.6	V210 E212 I216 A217 Q218 L260 I286 F290	V210-A214 WeakPolarHBondContact O-CB 3.5Å; V210-A214 PolarHBondContact O-N 3.14Å; E212-A214 VanDerWaalsContact C-N 3.33Å; E212-A214 PolarHBondContact O-N 3.38Å; A214-I216 VanDerWaalsContact C-N 3.34Å; A214-I216 PolarHBondContact O-N 3.3Å; A214-A217 PolarHBondContact O-N 2.73Å; A214-Q218 WeakPolarHBondContact O-CB 3.29Å; A214-Q218 PolarHBondContact O-N 2.92Å; A214-L260 HydrophobicContact CB-CD2 4Å; A214-I286 HydrophobicContact CB-CG2 3.65Å; A214-F290 HydrophobicContact CB-CE2 3.39Å; A214-F290 HydrophobicContact CB-CZ 3.43Å; A214-F290 VanDerWaalsContact CB-CZ 3.43Å
215	S	80.7	Confident	76.5	Confident	39 Å²	39	50.8 Å²	50.8	27%	0.273	27%	0.272	S	S	.	.	H	α-helix	trans	-61.7	-42.9	179.6	-172.9	0	0	0	0	111.9	A211 E212 K219	A211-S215 PolarHBondContact O-N 3.14Å; E212-S215 PolarHBondContact O-N 3.12Å; S215-K219 WeakPolarHBondContact O-CG 3.34Å; S215-K219 PolarHBondContact O-N 3.05Å; S215-K219 VanDerWaalsContact O-N 3.13Å
216	I	81.2	Confident	76.4	Confident	27 Å²	27	53.8 Å²	53.8	14%	0.138	28%	0.278	C	S	.	.	H	α-helix	trans	-68	-48.2	178.8	-69.8	167.1	0	0	0	110.7	L183 Y186 L203 F204 E212 A213 A214 Q218 K219 L220	L183-I216 HydrophobicContact CD2-CG2 4.2Å; Y186-I216 HydrophobicContact CD2-CG2 3.65Å; Y186-I216 HydrophobicContact CE2-CD1 4.18Å; Y186-I216 HydrophobicContact CE2-CG2 4.09Å; Y186-I216 HydrophobicContact CG-CG2 4.42Å; L203-I216 HydrophobicContact CD1-CD1 4.15Å; L203-I216 HydrophobicContact CD2-CB 4.48Å; L203-I216 HydrophobicContact CD2-CD1 3.57Å; F204-I216 HydrophobicContact CE1-CG2 4.35Å; F204-I216 HydrophobicContact CZ-CG2 4.06Å; E212-I216 HydrophobicContact CG-CD1 4.14Å; E212-I216 WeakPolarHBondContact O-CG1 3.47Å; E212-I216 PolarHBondContact O-N 3.01Å; A213-I216 PolarHBondContact O-N 3.29Å; A214-I216 VanDerWaalsContact C-N 3.34Å; A214-I216 PolarHBondContact O-N 3.3Å; I216-Q218 VanDerWaalsContact C-N 3.33Å; I216-Q218 PolarHBondContact O-N 3.23Å; I216-K219 PolarHBondContact O-N 3.44Å; I216-L220 HydrophobicContact CG2-CD1 4Å; I216-L220 HydrophobicContact CG2-CG 4.38Å; I216-L220 WeakPolarHBondContact O-CG 3.3Å; I216-L220 PolarHBondContact O-N 3.49Å
217	A	80.7	Confident	75.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.8	-42.7	179.1	0	0	0	0	0	112.2	A213 A214 L220 R221 Y256	A213-A217 VanDerWaalsContact O-CB 3.26Å; A213-A217 WeakPolarHBondContact O-CB 3.26Å; A213-A217 PolarHBondContact O-N 2.64Å; A214-A217 PolarHBondContact O-N 2.73Å; A217-L220 PolarHBondContact O-N 3.46Å; A217-R221 WeakPolarHBondContact O-CB 3.48Å; A217-R221 PolarHBondContact O-N 3.43Å; A217-Y256 HydrophobicContact CB-CD1 4.02Å; A217-Y256 HydrophobicContact CB-CE1 3.97Å
218	Q	77.2	Confident	75	Confident	48 Å²	48	53.7 Å²	53.7	22%	0.224	28%	0.277	C	S	.	.	H	α-helix	trans	-66.6	-39.9	177.7	-172.4	60.7	32.5	0	0	112.3	A214 I216 R221 S222	A214-Q218 WeakPolarHBondContact O-CB 3.29Å; A214-Q218 PolarHBondContact O-N 2.92Å; I216-Q218 VanDerWaalsContact C-N 3.33Å; I216-Q218 PolarHBondContact O-N 3.23Å; Q218-R221 PolarHBondContact O-N 2.9Å; Q218-S222 PolarHBondContact O-N 3.3Å; Q218-S222 PolarHBondContact O-OG 3.41Å
219	K	79.9	Confident	74	Confident	84 Å²	84	52 Å²	52	37%	0.365	28%	0.275	S	S	.	.	H	α-helix	trans	-59.8	-49.9	172.8	-77.1	176.1	-178.3	-179.1	0	110.7	L183 S215 I216 R221 S222 F223	L183-K219 HydrophobicContact CD2-CB 4.01Å; S215-K219 WeakPolarHBondContact O-CG 3.34Å; S215-K219 PolarHBondContact O-N 3.05Å; S215-K219 VanDerWaalsContact O-N 3.13Å; I216-K219 PolarHBondContact O-N 3.44Å; K219-R221 VanDerWaalsContact C-N 3.3Å; K219-R221 PolarHBondContact O-N 2.94Å; K219-S222 PolarHBondContact O-N 3.35Å; K219-S222 PolarHBondContact O-OG 2.81Å; K219-F223 WeakPolarHBondContact O-CD2 3.32Å; K219-F223 PolarHBondContact O-N 3.2Å
220	L	81.7	Confident	72.8	Confident	4 Å²	4	57.5 Å²	57.5	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-56	-44.8	177.7	-69.8	172	0	0	0	112.1	L183 L187 F190 I216 A217 F223 A224 L253	L183-L220 HydrophobicContact CB-CD2 3.75Å; L183-L220 HydrophobicContact CD2-CD2 3.43Å; L183-L220 VanDerWaalsContact CD2-CD2 3.43Å; L183-L220 HydrophobicContact CD2-CG 3.61Å; L183-L220 HydrophobicContact CG-CD2 4.2Å; L183-L220 WeakPolarHBondContact O-CD2 3.31Å; L187-L220 HydrophobicContact CB-CD2 4.11Å; F190-L220 HydrophobicContact CD2-CD1 4.33Å; F190-L220 HydrophobicContact CE2-CD1 4.31Å; I216-L220 HydrophobicContact CG2-CD1 4Å; I216-L220 HydrophobicContact CG2-CG 4.38Å; I216-L220 WeakPolarHBondContact O-CG 3.3Å; I216-L220 PolarHBondContact O-N 3.49Å; A217-L220 PolarHBondContact O-N 3.46Å; L220-F223 PolarHBondContact O-N 2.83Å; L220-A224 WeakPolarHBondContact O-CB 3.46Å; L220-A224 PolarHBondContact O-N 2.94Å; L220-L253 HydrophobicContact CB-CD1 3.88Å; L220-L253 HydrophobicContact CB-CD2 3.99Å; L220-L253 HydrophobicContact CD1-CD2 4.04Å
221	R	76.1	Confident	71.3	Confident	46 Å²	46	63.3 Å²	63.3	17%	0.174	32%	0.323	C	S	.	.	H	α-helix	trans	-59.5	-48.8	177	-176.3	178.4	170.4	-167.4	-3.2	112	A217 Q218 K219 F223 A224 E225	A217-R221 WeakPolarHBondContact O-CB 3.48Å; A217-R221 PolarHBondContact O-N 3.43Å; Q218-R221 PolarHBondContact O-N 2.9Å; K219-R221 VanDerWaalsContact C-N 3.3Å; K219-R221 PolarHBondContact O-N 2.94Å; R221-F223 VanDerWaalsContact C-N 3.34Å; R221-F223 PolarHBondContact O-N 3.45Å; R221-A224 PolarHBondContact O-N 3.32Å; R221-E225 HydrophobicContact CG-CG 4.4Å; R221-E225 IonicContact CZ-OE1 3.35Å; R221-E225 IonicContact NE-OE1 2.72Å; R221-E225 PolarHBondContact NE-OE1 3.41Å; R221-E225 IonicContact NH2-OE1 3.13Å; R221-E225 PolarHBondContact NH2-OE1 3.46Å; R221-E225 WeakPolarHBondContact O-CG 3.29Å; R221-E225 PolarHBondContact O-N 2.97Å
222	S	76.4	Confident	69.7	Low	48 Å²	48	64.5 Å²	64.5	34%	0.336	34%	0.34	S	S	.	.	H	α-helix	trans	-60.9	-41.1	178.4	61.7	0	0	0	0	112.8	Q218 K219 E226	Q218-S222 PolarHBondContact O-N 3.3Å; Q218-S222 PolarHBondContact O-OG 3.41Å; K219-S222 PolarHBondContact O-N 3.35Å; K219-S222 PolarHBondContact O-OG 2.81Å; S222-E226 WeakPolarHBondContact O-CG 3.38Å; S222-E226 PolarHBondContact O-N 2.98Å
223	F	74.2	Confident	68	Low	116 Å²	116	65 Å²	65	51%	0.509	36%	0.359	S	S	.	.	H	α-helix	trans	-64.2	-43.1	176	-82.3	-66.1	0	0	0	112.3	L183 K219 L220 R221 D227	L183-F223 HydrophobicContact CD1-CD2 4.3Å; L183-F223 HydrophobicContact CD1-CE2 3.85Å; K219-F223 WeakPolarHBondContact O-CD2 3.32Å; K219-F223 PolarHBondContact O-N 3.2Å; L220-F223 PolarHBondContact O-N 2.83Å; R221-F223 VanDerWaalsContact C-N 3.34Å; R221-F223 PolarHBondContact O-N 3.45Å; F223-D227 PolarHBondContact O-N 3.42Å
224	A	71.8	Confident	65.9	Low	3 Å²	3	69.7 Å²	69.7	3%	0.025	39%	0.391	C	S	.	.	H	α-helix	trans	-74.1	-33.4	-176.1	0	0	0	0	0	112.9	L187 L220 R221 I228 L246 V250	L187-A224 HydrophobicContact CD1-CB 4.42Å; L220-A224 WeakPolarHBondContact O-CB 3.46Å; L220-A224 PolarHBondContact O-N 2.94Å; R221-A224 PolarHBondContact O-N 3.32Å; A224-I228 WeakPolarHBondContact O-CG1 3.38Å; A224-L246 HydrophobicContact CB-CD1 4.17Å; A224-V250 HydrophobicContact CB-CG2 3.36Å
225	E	69.7	Low	63.8	Low	85 Å²	85	75 Å²	75	40%	0.397	44%	0.435	S	S	.	.	H	α-helix	trans	-69.9	-39.7	174.5	-73.4	176.5	178.9	0	0	112.5	R221 D227 I228 G229	R221-E225 HydrophobicContact CG-CG 4.4Å; R221-E225 IonicContact CZ-OE1 3.35Å; R221-E225 IonicContact NE-OE1 2.72Å; R221-E225 PolarHBondContact NE-OE1 3.41Å; R221-E225 IonicContact NH2-OE1 3.13Å; R221-E225 PolarHBondContact NH2-OE1 3.46Å; R221-E225 WeakPolarHBondContact O-CG 3.29Å; R221-E225 PolarHBondContact O-N 2.97Å; E225-D227 PolarHBondContact O-N 3.14Å; E225-I228 PolarHBondContact O-N 3.39Å; E225-G229 PolarHBondContact O-N 3.07Å
226	E	67.1	Low	61.7	Low	137 Å²	137	77 Å²	77	64%	0.64	46%	0.455	S	S	*	.	H	α-helix	trans	-63.2	-37.7	179.5	-80	-171	172.8	0	0	113.2	S222 R230	S222-E226 WeakPolarHBondContact O-CG 3.38Å; S222-E226 PolarHBondContact O-N 2.98Å; E226-R230 PolarHBondContact O-N 3.49Å
227	D	58.9	Low	59.5	Low	92 Å²	92	80.9 Å²	80.9	49%	0.492	49%	0.49	S	S	.	.	H	α-helix	trans	-75.3	-31.1	-178.6	-94.3	-16.6	0	0	0	113.2	F223 E225 L246	F223-D227 PolarHBondContact O-N 3.42Å; E225-D227 PolarHBondContact O-N 3.14Å; D227-L246 HydrophobicContact CB-CD2 4.25Å
228	I	54.7	Low	57.2	Low	62 Å²	62	84.1 Å²	84.1	32%	0.318	52%	0.524	S	S	.	.	H	α-helix	trans	-69.2	-41	174.4	-64.7	172.5	0	0	0	110.4	A224 E225 R230 Q231 L246 V250	A224-I228 WeakPolarHBondContact O-CG1 3.38Å; E225-I228 PolarHBondContact O-N 3.39Å; I228-R230 VanDerWaalsContact C-N 3.3Å; I228-R230 PolarHBondContact O-N 3.39Å; I228-Q231 PolarHBondContact O-N 2.91Å; I228-L246 HydrophobicContact CD1-CG 4.43Å; I228-L246 HydrophobicContact CG1-CD2 3.94Å; I228-L246 HydrophobicContact CG1-CG 4.38Å; I228-V250 HydrophobicContact CD1-CB 4.31Å; I228-V250 HydrophobicContact CD1-CG2 3.7Å
229	G	51.1	Low	55.1	Low	63 Å²	63	89.6 Å²	89.6	65%	0.649	56%	0.555	S	S	*	*	H	α-helix	trans	-62.9	-31.5	-179.9	0	0	0	0	0	114.1	E225	E225-G229 PolarHBondContact O-N 3.07Å
230	R	52.8	Low	53.2	Low	210 Å²	210	90 Å²	90	79%	0.792	57%	0.574	S	S	*	*	H	α-helix	trans	-76.7	-25.5	178.5	-75	-173.6	174.6	-175	2.5	114	E226 I228	E226-R230 PolarHBondContact O-N 3.49Å; I228-R230 VanDerWaalsContact C-N 3.3Å; I228-R230 PolarHBondContact O-N 3.39Å
231	Q	47.9	Very low	51.2	Low	129 Å²	129	95.4 Å²	95.4	60%	0.603	61%	0.607	S	S	*	*	H	α-helix	trans	-90	-12.6	-175.5	-66.9	-175.1	14.9	0	0	113.8	I228 A233 S234	I228-Q231 PolarHBondContact O-N 2.91Å; Q231-A233 PolarHBondContact O-N 2.87Å; Q231-A233 VanDerWaalsContact O-N 3.12Å; Q231-S234 PolarHBondContact O-N 3.38Å
232	G	42.9	Very low	49.9	Very low	74 Å²	74	97.7 Å²	97.7	76%	0.763	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-12.6	179.2	0	0	0	0	0	116
233	A	41.7	Very low	48.8	Very low	98 Å²	98	96.2 Å²	96.2	81%	0.81	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	2.5	-177.2	0	0	0	0	0	115.5	Q231	Q231-A233 PolarHBondContact O-N 2.87Å; Q231-A233 VanDerWaalsContact O-N 3.12Å
234	S	38.7	Very low	48	Very low	98 Å²	98	99.5 Å²	99.5	69%	0.685	63%	0.629	S	S	*	*			trans	-144.8	67.1	-179.7	-173.9	0	0	0	0	113.2	Q231 A236	Q231-S234 PolarHBondContact O-N 3.38Å; S234-A236 VanDerWaalsContact C-N 3.35Å; S234-A236 PolarHBondContact O-N 3.14Å
235	A	35.2	Very low	47.6	Very low	112 Å²	112	100.6 Å²	100.6	93%	0.926	64%	0.64	S	S	*	*			trans	-74.6	86.1	166	0	0	0	0	0	110.3
236	A	35.9	Very low	47.6	Very low	82 Å²	82	98.3 Å²	98.3	68%	0.678	63%	0.631	S	S	*	*			trans	-135.5	108.8	165.8	0	0	0	0	0	110.6	S234	S234-A236 VanDerWaalsContact C-N 3.35Å; S234-A236 PolarHBondContact O-N 3.14Å
237	A	34.9	Very low	47.7	Very low	107 Å²	107	97 Å²	97	88%	0.884	63%	0.625	S	S	*	*			trans	52.1	109.9	150.4	0	0	0	0	0	119.6
238	G	32	Very low	48.5	Very low	69 Å²	69	95.2 Å²	95.2	71%	0.711	62%	0.617	S	S	*	*			trans	101.6	116.3	135.1	0	0	0	0	0	116.8
239	N	33.1	Very low	49.5	Very low	163 Å²	163	92.3 Å²	92.3	87%	0.872	60%	0.602	S	S	*	*	S	Bend	trans	77.8	117.9	157.2	-60.5	-13.6	0	0	0	118.2
240	A	40.1	Very low	50.8	Low	92 Å²	92	90.3 Å²	90.3	76%	0.76	58%	0.577	S	S	*	*			trans	58.8	118.4	-178.9	0	0	0	0	0	112.2	P242	A240-P242 WeakPolarHBondContact O-CD 3.35Å
241	T	40.5	Very low	52	Low	117 Å²	117	82.4 Å²	82.4	72%	0.718	56%	0.557	S	S	*	*			trans	-94.5	78.5	173.5	-21.4	0	0	0	0	107.5	G243 R244	T241-G243 PolarHBondContact O-N 2.82Å; T241-G243 VanDerWaalsContact O-N 3.14Å; T241-R244 PolarHBondContact O-N 2.83Å; T241-R244 VanDerWaalsContact O-N 3.07Å
242	P	48.7	Very low	53.5	Low	95 Å²	95	76.7 Å²	76.7	62%	0.617	53%	0.53	S	S	*	.	H	α-helix	trans	-59.5	-21.5	174.2	24.4	-32.1	0	0	0	111.6	A240 R244 G245 L246	A240-P242 WeakPolarHBondContact O-CD 3.35Å; P242-R244 VanDerWaalsContact C-N 3.27Å; P242-R244 PolarHBondContact O-N 3.13Å; P242-G245 PolarHBondContact O-N 3.35Å; P242-L246 PolarHBondContact O-N 2.76Å
243	G	52.7	Low	55.3	Low	17 Å²	17	73.2 Å²	73.2	18%	0.175	49%	0.494	C	S	.	.	H	α-helix	trans	-55	-36.3	171.1	0	0	0	0	0	113.8	T241 G245 L246 E247	T241-G243 PolarHBondContact O-N 2.82Å; T241-G243 VanDerWaalsContact O-N 3.14Å; G243-G245 PolarHBondContact O-N 2.85Å; G243-L246 PolarHBondContact O-N 3.16Å; G243-E247 VanDerWaalsContact O-CB 3.26Å; G243-E247 WeakPolarHBondContact O-CB 3.09Å; G243-E247 WeakPolarHBondContact O-CG 3.43Å; G243-E247 PolarHBondContact O-N 2.93Å
244	R	57	Low	57.1	Low	185 Å²	185	72.5 Å²	72.5	70%	0.698	47%	0.474	S	S	*	.	H	α-helix	trans	-73.3	-33.5	-173.8	-149.6	-177.5	-168.5	-167.3	2.3	113.5	T241 P242 V248	T241-R244 PolarHBondContact O-N 2.83Å; T241-R244 VanDerWaalsContact O-N 3.07Å; P242-R244 VanDerWaalsContact C-N 3.27Å; P242-R244 PolarHBondContact O-N 3.13Å; R244-V248 WeakPolarHBondContact O-CG2 3.48Å; R244-V248 PolarHBondContact O-N 3.37Å
245	G	64	Low	59.1	Low	25 Å²	25	72.6 Å²	72.6	26%	0.258	47%	0.467	S	S	.	.	H	α-helix	trans	-74.1	-42.9	174.5	0	0	0	0	0	111.3	N191 P242 G243 E247 V248 A249	N191-G245 WeakPolarHBondContact OD1-CA 3.38Å; N191-G245 PolarHBondContact OD1-O 2.77Å; P242-G245 PolarHBondContact O-N 3.35Å; G243-G245 PolarHBondContact O-N 2.85Å; G245-E247 VanDerWaalsContact C-N 3.3Å; G245-E247 PolarHBondContact O-N 3.45Å; G245-V248 PolarHBondContact O-N 3.01Å; G245-V248 VanDerWaalsContact O-N 3.12Å; G245-A249 PolarHBondContact O-N 3.28Å
246	L	69.9	Low	61.3	Low	38 Å²	38	68.1 Å²	68.1	20%	0.199	43%	0.426	C	S	.	.	H	α-helix	trans	-62.9	-38.2	175.3	-169.8	64.3	0	0	0	111.7	L187 A224 D227 I228 P242 G243 V248 A249 V250	L187-L246 HydrophobicContact CD2-CD1 4.12Å; A224-L246 HydrophobicContact CB-CD1 4.17Å; D227-L246 HydrophobicContact CB-CD2 4.25Å; I228-L246 HydrophobicContact CD1-CG 4.43Å; I228-L246 HydrophobicContact CG1-CD2 3.94Å; I228-L246 HydrophobicContact CG1-CG 4.38Å; P242-L246 PolarHBondContact O-N 2.76Å; G243-L246 PolarHBondContact O-N 3.16Å; L246-V248 VanDerWaalsContact C-N 3.32Å; L246-V248 PolarHBondContact O-N 3.44Å; L246-A249 PolarHBondContact O-N 3.47Å; L246-V250 WeakPolarHBondContact O-CB 3.48Å; L246-V250 VanDerWaalsContact O-CG2 3.31Å; L246-V250 WeakPolarHBondContact O-CG2 3.47Å; L246-V250 PolarHBondContact O-N 3.02Å
247	E	69.9	Low	63.5	Low	109 Å²	109	64.3 Å²	64.3	51%	0.509	39%	0.394	S	S	.	.	H	α-helix	trans	-57.3	-41.8	172.1	-80.1	164.7	-161.6	0	0	112.2	G243 G245 V250 A251	G243-E247 VanDerWaalsContact O-CB 3.26Å; G243-E247 WeakPolarHBondContact O-CB 3.09Å; G243-E247 WeakPolarHBondContact O-CG 3.43Å; G243-E247 PolarHBondContact O-N 2.93Å; G245-E247 VanDerWaalsContact C-N 3.3Å; G245-E247 PolarHBondContact O-N 3.45Å; E247-V250 PolarHBondContact O-N 3.31Å; E247-A251 WeakPolarHBondContact O-CB 3.27Å; E247-A251 PolarHBondContact O-N 2.83Å
248	V	75.4	Confident	65.6	Low	54 Å²	54	62.1 Å²	62.1	33%	0.327	37%	0.368	S	S	.	.	H	α-helix	trans	-66.2	-45.5	176.1	173.1	0	0	0	0	111	R244 G245 L246 V250 A251 N252	R244-V248 WeakPolarHBondContact O-CG2 3.48Å; R244-V248 PolarHBondContact O-N 3.37Å; G245-V248 PolarHBondContact O-N 3.01Å; G245-V248 VanDerWaalsContact O-N 3.12Å; L246-V248 VanDerWaalsContact C-N 3.32Å; L246-V248 PolarHBondContact O-N 3.44Å; V248-V250 VanDerWaalsContact C-N 3.32Å; V248-V250 PolarHBondContact O-N 3.33Å; V248-A251 PolarHBondContact O-N 3.31Å; V248-N252 WeakPolarHBondContact O-CB 3.46Å; V248-N252 PolarHBondContact O-N 2.78Å
249	A	75.4	Confident	68	Low	1 Å²	1	64.9 Å²	64.9	1%	0.008	36%	0.363	C	S	.	.	H	α-helix	trans	-62.1	-39.5	176.9	0	0	0	0	0	112.2	L187 F190 N191 G245 L246 N252 L253	L187-A249 HydrophobicContact CD1-CB 4.17Å; F190-A249 HydrophobicContact CB-CB 4.5Å; F190-A249 WeakPolarHBondContact O-CA 3.22Å; N191-A249 HydrophobicContact CB-CB 4.11Å; G245-A249 PolarHBondContact O-N 3.28Å; L246-A249 PolarHBondContact O-N 3.47Å; A249-N252 PolarHBondContact O-N 2.76Å; A249-L253 VanDerWaalsContact O-CB 3.25Å; A249-L253 WeakPolarHBondContact O-CB 3.38Å; A249-L253 VanDerWaalsContact O-CG 3.28Å; A249-L253 WeakPolarHBondContact O-CG 3.4Å; A249-L253 PolarHBondContact O-N 3.46Å
250	V	78.1	Confident	70.3	Confident	22 Å²	22	57.4 Å²	57.4	13%	0.133	32%	0.322	C	S	.	.	H	α-helix	trans	-63.7	-44.8	174.8	168.7	0	0	0	0	111.4	A224 I228 L246 E247 V248 L253 Q254	A224-V250 HydrophobicContact CB-CG2 3.36Å; I228-V250 HydrophobicContact CD1-CB 4.31Å; I228-V250 HydrophobicContact CD1-CG2 3.7Å; L246-V250 WeakPolarHBondContact O-CB 3.48Å; L246-V250 VanDerWaalsContact O-CG2 3.31Å; L246-V250 WeakPolarHBondContact O-CG2 3.47Å; L246-V250 PolarHBondContact O-N 3.02Å; E247-V250 PolarHBondContact O-N 3.31Å; V248-V250 VanDerWaalsContact C-N 3.32Å; V248-V250 PolarHBondContact O-N 3.33Å; V250-L253 PolarHBondContact O-N 3.49Å; V250-Q254 VanDerWaalsContact O-CB 3.28Å; V250-Q254 WeakPolarHBondContact O-CB 3.39Å; V250-Q254 PolarHBondContact O-N 3.01Å
251	A	77.1	Confident	72.3	Confident	43 Å²	43	54 Å²	54	36%	0.355	29%	0.291	S	S	.	.	H	α-helix	trans	-61	-47.4	176.5	0	0	0	0	0	111.6	E247 V248 L253 Q254 D255	E247-A251 WeakPolarHBondContact O-CB 3.27Å; E247-A251 PolarHBondContact O-N 2.83Å; V248-A251 PolarHBondContact O-N 3.31Å; A251-L253 PolarHBondContact O-N 3.22Å; A251-Q254 WeakPolarHBondContact O-CB 3.31Å; A251-Q254 PolarHBondContact O-N 3.15Å; A251-D255 PolarHBondContact O-N 3.49Å
252	N	80.2	Confident	74.2	Confident	9 Å²	9	53.5 Å²	53.5	5%	0.048	28%	0.284	C	S	.	.	H	α-helix	trans	-64.2	-39.9	178.1	-71.5	-15.7	0	0	0	112.4	F190 G192 L197 V248 A249 Q254 D255 Y256	F190-N252 HydrophobicContact CD1-CB 4.2Å; F190-N252 WeakPolarHBondContact O-CB 3.38Å; F190-N252 PolarHBondContact O-ND2 3.19Å; G192-N252 PolarHBondContact O-ND2 3.02Å; L197-N252 HydrophobicContact CD1-CB 4.11Å; V248-N252 WeakPolarHBondContact O-CB 3.46Å; V248-N252 PolarHBondContact O-N 2.78Å; A249-N252 PolarHBondContact O-N 2.76Å; N252-Q254 VanDerWaalsContact C-N 3.32Å; N252-D255 PolarHBondContact O-N 3.09Å; N252-Y256 WeakPolarHBondContact O-CB 3.43Å; N252-Y256 PolarHBondContact O-N 3.36Å
253	L	81.2	Confident	75.9	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-64.2	-39	173.8	-83.2	168.2	0	0	0	111.6	L187 F190 L220 A249 V250 A251 Y256 C257	L187-L253 HydrophobicContact CD1-CD1 3.7Å; F190-L253 HydrophobicContact CB-CD2 4.41Å; F190-L253 HydrophobicContact CB-CG 4.03Å; F190-L253 HydrophobicContact CD1-CD2 4.02Å; F190-L253 HydrophobicContact CD1-CG 4.12Å; F190-L253 HydrophobicContact CD2-CD2 3.39Å; F190-L253 HydrophobicContact CD2-CG 3.98Å; F190-L253 HydrophobicContact CE1-CD2 4.11Å; F190-L253 HydrophobicContact CE2-CD2 3.52Å; F190-L253 HydrophobicContact CG-CD2 3.68Å; F190-L253 HydrophobicContact CG-CG 3.77Å; F190-L253 HydrophobicContact CZ-CD2 3.89Å; L220-L253 HydrophobicContact CB-CD1 3.88Å; L220-L253 HydrophobicContact CB-CD2 3.99Å; L220-L253 HydrophobicContact CD1-CD2 4.04Å; A249-L253 VanDerWaalsContact O-CB 3.25Å; A249-L253 WeakPolarHBondContact O-CB 3.38Å; A249-L253 VanDerWaalsContact O-CG 3.28Å; A249-L253 WeakPolarHBondContact O-CG 3.4Å; A249-L253 PolarHBondContact O-N 3.46Å; V250-L253 PolarHBondContact O-N 3.49Å; A251-L253 PolarHBondContact O-N 3.22Å; L253-Y256 PolarHBondContact O-N 3.45Å; L253-C257 WeakPolarHBondContact O-CB 3.34Å; L253-C257 PolarHBondContact O-N 3.43Å; L253-C257 PolarHBondContact O-SG 2.99Å
254	Q	79	Confident	77.4	Confident	84 Å²	84	52.2 Å²	52.2	39%	0.393	26%	0.261	S	S	.	.	H	α-helix	trans	-65.1	-45.2	176.9	-175.3	170.4	-2.1	0	0	110.6	V250 A251 N252 C257 N258	V250-Q254 VanDerWaalsContact O-CB 3.28Å; V250-Q254 WeakPolarHBondContact O-CB 3.39Å; V250-Q254 PolarHBondContact O-N 3.01Å; A251-Q254 WeakPolarHBondContact O-CB 3.31Å; A251-Q254 PolarHBondContact O-N 3.15Å; N252-Q254 VanDerWaalsContact C-N 3.32Å; Q254-C257 PolarHBondContact O-N 2.96Å; Q254-N258 WeakPolarHBondContact O-CB 3.28Å; Q254-N258 PolarHBondContact O-N 3.1Å; Q254-N258 PolarHBondContact O-ND2 3.24Å; Q254-N258 VanDerWaalsContact O-ND2 3.14Å; Q254-N258 PolarHBondContact O-OD1 3.45Å
255	D	80.1	Confident	78.7	Confident	100 Å²	100	44.3 Å²	44.3	54%	0.535	23%	0.233	S	C	.	.	H	α-helix	trans	-61.9	-44.2	175.6	-72.2	-17.6	0	0	0	111.6	A251 N252 N258 E259	A251-D255 PolarHBondContact O-N 3.49Å; N252-D255 PolarHBondContact O-N 3.09Å; D255-N258 PolarHBondContact O-N 2.96Å; D255-E259 WeakPolarHBondContact O-CB 3.28Å; D255-E259 PolarHBondContact O-N 2.88Å
256	Y	82.3	Confident	79.7	Confident	18 Å²	18	46.2 Å²	46.2	7%	0.071	24%	0.242	C	C	.	.	H	α-helix	trans	-63.3	-43.7	175.4	179.7	-98.8	0	0	0	112.7	F190 F204 A217 N252 L253 N258 E259 L260	F190-Y256 HydrophobicContact CE1-CD1 4.38Å; F190-Y256 HydrophobicContact CE1-CD2 4.44Å; F190-Y256 AromaticContact CE1-CG 3.93Å; F190-Y256 HydrophobicContact CE1-CG 3.93Å; F190-Y256 AromaticContact CZ-CD1 3.99Å; F190-Y256 HydrophobicContact CZ-CD1 3.99Å; F190-Y256 HydrophobicContact CZ-CD2 4.47Å; F190-Y256 AromaticContact CZ-CG 3.96Å; F190-Y256 HydrophobicContact CZ-CG 3.96Å; F204-Y256 WeakPolarHBondContact CA-OH 3.44Å; F204-Y256 HydrophobicContact CB-CE2 4.01Å; F204-Y256 WeakPolarHBondContact CB-OH 3.32Å; F204-Y256 AromaticContact CD1-CE1 3.67Å; F204-Y256 HydrophobicContact CD1-CE1 3.67Å; F204-Y256 HydrophobicContact CD1-CE2 4.46Å; F204-Y256 AromaticContact CD1-CZ 3.62Å; F204-Y256 WeakPolarHBondContact CD1-OH 3.44Å; F204-Y256 HydrophobicContact CE1-CE1 4.31Å; F204-Y256 PolarHBondContact O-OH 3.02Å; A217-Y256 HydrophobicContact CB-CD1 4.02Å; A217-Y256 HydrophobicContact CB-CE1 3.97Å; N252-Y256 WeakPolarHBondContact O-CB 3.43Å; N252-Y256 PolarHBondContact O-N 3.36Å; L253-Y256 PolarHBondContact O-N 3.45Å; Y256-N258 VanDerWaalsContact C-N 3.34Å; Y256-N258 PolarHBondContact O-N 2.91Å; Y256-E259 PolarHBondContact O-N 3.43Å; Y256-L260 HydrophobicContact CE1-CB 4.45Å; Y256-L260 HydrophobicContact CE1-CD2 3.89Å; Y256-L260 VanDerWaalsContact O-CB 3.25Å; Y256-L260 WeakPolarHBondContact O-CB 3.46Å; Y256-L260 PolarHBondContact O-N 2.59Å
257	C	81	Confident	80.5	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.007	25%	0.251	C	S	.	.	H	α-helix	trans	-62.7	-42.5	176.7	-70.3	0	0	0	0	111.1	L253 Q254 L260 E261 F290	L253-C257 WeakPolarHBondContact O-CB 3.34Å; L253-C257 PolarHBondContact O-N 3.43Å; L253-C257 PolarHBondContact O-SG 2.99Å; Q254-C257 PolarHBondContact O-N 2.96Å; C257-L260 PolarHBondContact O-N 2.86Å; C257-E261 VanDerWaalsContact O-CB 3.27Å; C257-E261 WeakPolarHBondContact O-CB 3.1Å; C257-E261 PolarHBondContact O-N 2.89Å; C257-F290 HydrophobicContact CB-CE1 4.4Å
258	N	80.2	Confident	81.3	Confident	62 Å²	62	44 Å²	44	33%	0.332	23%	0.227	S	C	.	.	H	α-helix	trans	-63.5	-43.1	176.2	-67.3	-24	0	0	0	111.1	Q254 D255 Y256 N262	Q254-N258 WeakPolarHBondContact O-CB 3.28Å; Q254-N258 PolarHBondContact O-N 3.1Å; Q254-N258 PolarHBondContact O-ND2 3.24Å; Q254-N258 VanDerWaalsContact O-ND2 3.14Å; Q254-N258 PolarHBondContact O-OD1 3.45Å; D255-N258 PolarHBondContact O-N 2.96Å; Y256-N258 VanDerWaalsContact C-N 3.34Å; Y256-N258 PolarHBondContact O-N 2.91Å; N258-N262 WeakPolarHBondContact O-CB 3.4Å; N258-N262 VanDerWaalsContact O-CG 3.26Å; N258-N262 PolarHBondContact O-N 3.47Å; N258-N262 PolarHBondContact O-ND2 3.47Å
259	E	81.7	Confident	81.8	Confident	127 Å²	127	43.3 Å²	43.3	59%	0.593	22%	0.221	S	C	*	.	H	α-helix	trans	-63.4	-45.5	176.3	-173.8	176.6	-178.2	0	0	111.3	D255 Y256 N262 R263	D255-E259 WeakPolarHBondContact O-CB 3.28Å; D255-E259 PolarHBondContact O-N 2.88Å; Y256-E259 PolarHBondContact O-N 3.43Å; E259-N262 PolarHBondContact O-N 2.95Å; E259-R263 VanDerWaalsContact O-CB 3.3Å; E259-R263 WeakPolarHBondContact O-CB 3.49Å; E259-R263 PolarHBondContact O-N 3.21Å
260	L	81.8	Confident	82.4	Confident	5 Å²	5	45.1 Å²	45.1	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-66.1	-41.2	179.5	-171	63.5	0	0	0	112.1	V210 A214 Y256 C257 R263 L264 F290	V210-L260 HydrophobicContact CG1-CD1 4.05Å; A214-L260 HydrophobicContact CB-CD2 4Å; Y256-L260 HydrophobicContact CE1-CB 4.45Å; Y256-L260 HydrophobicContact CE1-CD2 3.89Å; Y256-L260 VanDerWaalsContact O-CB 3.25Å; Y256-L260 WeakPolarHBondContact O-CB 3.46Å; Y256-L260 PolarHBondContact O-N 2.59Å; C257-L260 PolarHBondContact O-N 2.86Å; L260-R263 PolarHBondContact O-N 3.46Å; L260-L264 HydrophobicContact CG-CD1 4.36Å; L260-L264 WeakPolarHBondContact O-CB 3.45Å; L260-L264 WeakPolarHBondContact O-CG 3.45Å; L260-L264 PolarHBondContact O-N 3.32Å; L260-F290 HydrophobicContact CD2-CZ 3.93Å
261	E	81.7	Confident	82.8	Confident	22 Å²	22	44.4 Å²	44.4	10%	0.103	23%	0.232	C	C	.	.	H	α-helix	trans	-61.2	-48.6	174.1	-175.6	175.2	-174	0	0	110.6	C257 R263 L264 L265 L287 S295	C257-E261 VanDerWaalsContact O-CB 3.27Å; C257-E261 WeakPolarHBondContact O-CB 3.1Å; C257-E261 PolarHBondContact O-N 2.89Å; E261-R263 VanDerWaalsContact C-N 3.31Å; E261-R263 PolarHBondContact O-N 3.06Å; E261-L264 PolarHBondContact O-N 3.31Å; E261-L265 HydrophobicContact CG-CD1 4.24Å; E261-L265 WeakPolarHBondContact O-CB 3.41Å; E261-L265 WeakPolarHBondContact O-CG 3.33Å; E261-L265 PolarHBondContact O-N 2.95Å; E261-L287 HydrophobicContact CG-CD2 4.09Å; E261-S295 WeakPolarHBondContact OE1-CB 3.15Å; E261-S295 PolarHBondContact OE1-OG 3.29Å
262	N	81.2	Confident	83.3	Confident	105 Å²	105	43.4 Å²	43.4	56%	0.561	22%	0.223	S	C	*	.	H	α-helix	trans	-60.7	-39.8	175.4	-76	-41.9	0	0	0	112.2	N258 E259 L265 S266	N258-N262 WeakPolarHBondContact O-CB 3.4Å; N258-N262 VanDerWaalsContact O-CG 3.26Å; N258-N262 PolarHBondContact O-N 3.47Å; N258-N262 PolarHBondContact O-ND2 3.47Å; E259-N262 PolarHBondContact O-N 2.95Å; N262-L265 PolarHBondContact O-N 3.3Å; N262-S266 WeakPolarHBondContact O-CB 3.4Å; N262-S266 PolarHBondContact O-N 2.92Å
263	R	83.7	Confident	83.6	Confident	82 Å²	82	50.9 Å²	50.9	31%	0.309	26%	0.258	S	S	.	.	H	α-helix	trans	-65.1	-44.2	176.8	-161.2	172	85.5	144.1	12.2	111.3	D207 E259 L260 E261 S266 R267	D207-R263 IonicContact OD1-CZ 3.81Å; D207-R263 IonicContact OD1-NH1 2.73Å; D207-R263 PolarHBondContact OD1-NH1 2.71Å; D207-R263 IonicContact OD1-NH2 2.78Å; D207-R263 PolarHBondContact OD1-NH2 3.43Å; E259-R263 VanDerWaalsContact O-CB 3.3Å; E259-R263 WeakPolarHBondContact O-CB 3.49Å; E259-R263 PolarHBondContact O-N 3.21Å; L260-R263 PolarHBondContact O-N 3.46Å; E261-R263 VanDerWaalsContact C-N 3.31Å; E261-R263 PolarHBondContact O-N 3.06Å; R263-S266 PolarHBondContact O-N 2.96Å; R263-S266 PolarHBondContact O-OG 3.48Å; R263-R267 PolarHBondContact O-N 2.83Å
264	L	84.7	Confident	84	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-64.4	-40.8	175.3	-80.5	169.3	0	0	0	112.4	V210 L260 E261 R267 F268 I286 L287 F290	V210-L264 HydrophobicContact CG1-CD1 4.21Å; V210-L264 HydrophobicContact CG1-CD2 3.64Å; V210-L264 HydrophobicContact CG1-CG 4.05Å; L260-L264 HydrophobicContact CG-CD1 4.36Å; L260-L264 WeakPolarHBondContact O-CB 3.45Å; L260-L264 WeakPolarHBondContact O-CG 3.45Å; L260-L264 PolarHBondContact O-N 3.32Å; E261-L264 PolarHBondContact O-N 3.31Å; L264-R267 PolarHBondContact O-N 3.46Å; L264-F268 VanDerWaalsContact O-CB 3.28Å; L264-F268 WeakPolarHBondContact O-CB 3.46Å; L264-F268 PolarHBondContact O-N 3.28Å; L264-I286 HydrophobicContact CD1-CB 4.34Å; L264-I286 HydrophobicContact CD1-CG2 3.57Å; L264-I286 HydrophobicContact CD2-CD1 4.38Å; L264-I286 HydrophobicContact CD2-CG2 4.34Å; L264-L287 HydrophobicContact CB-CD1 4.22Å; L264-L287 HydrophobicContact CB-CD2 3.67Å; L264-L287 HydrophobicContact CB-CG 3.94Å; L264-L287 HydrophobicContact CD1-CD2 4.09Å; L264-L287 HydrophobicContact CD1-CG 4.33Å; L264-F290 HydrophobicContact CD1-CE2 4.06Å
265	L	84.5	Confident	84.3	Confident	19 Å²	19	67.2 Å²	67.2	10%	0.099	32%	0.315	C	S	.	.	H	α-helix	trans	-60.8	-46.4	173.4	-75	170	0	0	0	110.9	E261 N262 R267 F268 D269 L287 A296 H299	E261-L265 HydrophobicContact CG-CD1 4.24Å; E261-L265 WeakPolarHBondContact O-CB 3.41Å; E261-L265 WeakPolarHBondContact O-CG 3.33Å; E261-L265 PolarHBondContact O-N 2.95Å; N262-L265 PolarHBondContact O-N 3.3Å; L265-R267 VanDerWaalsContact C-N 3.32Å; L265-R267 PolarHBondContact O-N 2.94Å; L265-F268 CarbonylContact O-C 3.58Å; L265-F268 WeakPolarHBondContact O-CB 3.28Å; L265-F268 PolarHBondContact O-N 3.39Å; L265-F268 VanDerWaalsContact O-N 3.13Å; L265-D269 VanDerWaalsContact O-CG 3.28Å; L265-D269 PolarHBondContact O-N 3.15Å; L265-L287 HydrophobicContact CD2-CD1 4.12Å; L265-L287 HydrophobicContact CG-CD2 4.48Å; L265-A296 HydrophobicContact CD2-CB 4.4Å; L265-H299 HydrophobicContact CD2-CB 3.98Å
266	S	84.7	Confident	84.8	Confident	66 Å²	66	65.2 Å²	65.2	46%	0.462	31%	0.305	S	S	.	.	H	α-helix	trans	-62	-38.2	177.1	76.7	0	0	0	0	113	N262 R263 D269 A270	N262-S266 WeakPolarHBondContact O-CB 3.4Å; N262-S266 PolarHBondContact O-N 2.92Å; R263-S266 PolarHBondContact O-N 2.96Å; R263-S266 PolarHBondContact O-OG 3.48Å; S266-D269 PolarHBondContact O-N 3.42Å; S266-A270 WeakPolarHBondContact O-CB 3.42Å; S266-A270 PolarHBondContact O-N 2.89Å
267	R	86.4	Confident	85.1	Confident	101 Å²	101	68 Å²	68	38%	0.381	32%	0.321	S	S	.	.	H	α-helix	trans	-67.9	-40.3	175	-176.5	176.4	169	174.2	-6.5	111.1	R263 L264 L265 A270 A271	R263-R267 PolarHBondContact O-N 2.83Å; L264-R267 PolarHBondContact O-N 3.46Å; L265-R267 VanDerWaalsContact C-N 3.32Å; L265-R267 PolarHBondContact O-N 2.94Å; R267-A270 PolarHBondContact O-N 2.93Å; R267-A271 WeakPolarHBondContact O-CB 3.31Å; R267-A271 PolarHBondContact O-N 3.01Å
268	F	87.1	Confident	85.5	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-63.4	-41.9	175.2	-179.9	-89.7	0	0	0	111.6	L264 L265 A271 S272 M280 C283 A284 Y300 V358 F359	L264-F268 VanDerWaalsContact O-CB 3.28Å; L264-F268 WeakPolarHBondContact O-CB 3.46Å; L264-F268 PolarHBondContact O-N 3.28Å; L265-F268 CarbonylContact O-C 3.58Å; L265-F268 WeakPolarHBondContact O-CB 3.28Å; L265-F268 PolarHBondContact O-N 3.39Å; L265-F268 VanDerWaalsContact O-N 3.13Å; F268-A271 PolarHBondContact O-N 3.08Å; F268-S272 WeakPolarHBondContact O-CB 3.4Å; F268-S272 PolarHBondContact O-N 3.22Å; F268-M280 HydrophobicContact CD2-CB 4.2Å; F268-M280 HydrophobicContact CD2-CG 4.35Å; F268-M280 HydrophobicContact CE1-CE 4.24Å; F268-M280 HydrophobicContact CE2-CB 3.9Å; F268-M280 HydrophobicContact CE2-CE 4Å; F268-M280 HydrophobicContact CE2-CG 4.19Å; F268-M280 HydrophobicContact CZ-CE 3.63Å; F268-C283 HydrophobicContact CB-CB 4Å; F268-C283 HydrophobicContact CD2-CB 3.89Å; F268-C283 HydrophobicContact CG-CB 4.44Å; F268-A284 HydrophobicContact CE2-CB 4.21Å; F268-Y300 AromaticContact CE1-CD2 3.63Å; F268-Y300 HydrophobicContact CE1-CD2 3.63Å; F268-Y300 HydrophobicContact CE1-CG 4.32Å; F268-Y300 AromaticContact CZ-CD2 3.59Å; F268-Y300 HydrophobicContact CZ-CD2 3.59Å; F268-Y300 HydrophobicContact CZ-CE2 4.34Å; F268-Y300 HydrophobicContact CZ-CG 4.27Å; F268-V358 HydrophobicContact CE2-CG1 3.85Å; F268-V358 HydrophobicContact CZ-CG1 4.33Å; F268-F359 HydrophobicContact CE2-CZ 4.23Å; F268-F359 HydrophobicContact CZ-CE1 4.46Å; F268-F359 HydrophobicContact CZ-CE2 4.29Å; F268-F359 AromaticContact CZ-CZ 3.69Å; F268-F359 HydrophobicContact CZ-CZ 3.69Å
269	D	86.3	Confident	85.8	Confident	39 Å²	39	69.9 Å²	69.9	21%	0.209	34%	0.337	C	S	.	.	H	α-helix	trans	-65.4	-43.7	175.8	-67.3	-28.2	0	0	0	112	L265 S266 A271 S272 Q273 H299	L265-D269 VanDerWaalsContact O-CG 3.28Å; L265-D269 PolarHBondContact O-N 3.15Å; S266-D269 PolarHBondContact O-N 3.42Å; D269-A271 VanDerWaalsContact C-N 3.29Å; D269-A271 PolarHBondContact O-N 3.21Å; D269-S272 WeakPolarHBondContact O-CB 3.42Å; D269-S272 PolarHBondContact O-N 3.44Å; D269-Q273 WeakPolarHBondContact O-CG 3.33Å; D269-Q273 PolarHBondContact O-N 3.29Å; D269-H299 VanDerWaalsContact CG-CE1 3.5Å; D269-H299 IonicContact OD1-CE1 3.23Å; D269-H299 PolarHBondContact OD1-CE1 2.83Å; D269-H299 IonicContact OD1-ND1 3.47Å; D269-H299 PolarHBondContact OD1-ND1 3.38Å; D269-H299 IonicContact OD2-CE1 2.85Å; D269-H299 PolarHBondContact OD2-CE1 2.75Å; D269-H299 IonicContact OD2-ND1 3.23Å; D269-H299 IonicContact OD2-NE2 3.62Å
270	A	87.2	Confident	86.2	Confident	39 Å²	39	64 Å²	64	32%	0.322	31%	0.31	S	S	.	.	H	α-helix	trans	-61.1	-39.3	175.5	0	0	0	0	0	111.8	S266 R267 R274	S266-A270 WeakPolarHBondContact O-CB 3.42Å; S266-A270 PolarHBondContact O-N 2.89Å; R267-A270 PolarHBondContact O-N 2.93Å; A270-R274 VanDerWaalsContact O-CG 3.31Å; A270-R274 WeakPolarHBondContact O-CG 3.38Å; A270-R274 PolarHBondContact O-N 2.89Å
271	A	87.4	Confident	86.5	Confident	6 Å²	6	64.5 Å²	64.5	5%	0.05	31%	0.314	C	S	.	.	H	α-helix	trans	-67.3	-42.2	173.6	0	0	0	0	0	112	R267 F268 D269 Q273 R274 R275 D276 T279 M280	R267-A271 WeakPolarHBondContact O-CB 3.31Å; R267-A271 PolarHBondContact O-N 3.01Å; F268-A271 PolarHBondContact O-N 3.08Å; D269-A271 VanDerWaalsContact C-N 3.29Å; D269-A271 PolarHBondContact O-N 3.21Å; A271-Q273 VanDerWaalsContact C-N 3.35Å; A271-Q273 PolarHBondContact O-N 3.46Å; A271-R274 CarbonylContact O-C 3.52Å; A271-R274 PolarHBondContact O-N 3.31Å; A271-R274 VanDerWaalsContact O-N 3.15Å; A271-R275 PolarHBondContact O-N 3.31Å; A271-D276 PolarHBondContact O-N 3.5Å; A271-T279 VanDerWaalsContact CB-OG1 3.22Å; A271-T279 WeakPolarHBondContact CB-OG1 3.34Å; A271-M280 HydrophobicContact CB-CG 3.69Å
272	S	87.2	Confident	86.8	Confident	23 Å²	23	68.3 Å²	68.3	16%	0.161	33%	0.332	C	S	.	.	H	α-helix	trans	-60.6	-41.8	175.6	-177.2	0	0	0	0	111.8	F268 D269 R274 R275 M280 R304	F268-S272 WeakPolarHBondContact O-CB 3.4Å; F268-S272 PolarHBondContact O-N 3.22Å; D269-S272 WeakPolarHBondContact O-CB 3.42Å; D269-S272 PolarHBondContact O-N 3.44Å; S272-R274 VanDerWaalsContact C-N 3.3Å; S272-R274 PolarHBondContact O-N 2.98Å; S272-R275 PolarHBondContact O-N 3.04Å; S272-M280 VanDerWaalsContact CA-SD 3.59Å; S272-R304 PolarHBondContact OG-NH2 2.65Å
273	Q	86.5	Confident	87	Confident	166 Å²	166	63.4 Å²	63.4	78%	0.776	31%	0.305	S	S	*	.	H	α-helix	trans	-64.7	-34.3	176.2	-72.6	173.9	14.3	0	0	112.2	D269 A271 R275	D269-Q273 WeakPolarHBondContact O-CG 3.33Å; D269-Q273 PolarHBondContact O-N 3.29Å; A271-Q273 VanDerWaalsContact C-N 3.35Å; A271-Q273 PolarHBondContact O-N 3.46Å; Q273-R275 VanDerWaalsContact C-N 3.32Å
274	R	89.4	Confident	87.2	Confident	209 Å²	209	59.6 Å²	59.6	79%	0.789	29%	0.292	S	S	*	.	H	α-helix	trans	-83.6	-4.6	177.1	-65.8	174.7	-171	-162.3	3.5	113.8	A270 A271 S272 D276	A270-R274 VanDerWaalsContact O-CG 3.31Å; A270-R274 WeakPolarHBondContact O-CG 3.38Å; A270-R274 PolarHBondContact O-N 2.89Å; A271-R274 CarbonylContact O-C 3.52Å; A271-R274 PolarHBondContact O-N 3.31Å; A271-R274 VanDerWaalsContact O-N 3.15Å; S272-R274 VanDerWaalsContact C-N 3.3Å; S272-R274 PolarHBondContact O-N 2.98Å; R274-D276 PolarHBondContact O-N 2.98Å
275	R	84.9	Confident	87.1	Confident	218 Å²	218	65 Å²	65	82%	0.823	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	32.4	-172.1	-56.7	-174.1	175.8	-155.7	-1.5	113.6	A271 S272 Q273 L277	A271-R275 PolarHBondContact O-N 3.31Å; S272-R275 PolarHBondContact O-N 3.04Å; Q273-R275 VanDerWaalsContact C-N 3.32Å; R275-L277 PolarHBondContact O-N 3Å
276	D	90.6	Very high	87.1	Confident	59 Å²	59	65.2 Å²	65.2	32%	0.316	32%	0.316	S	S	.	.			trans	-87.9	93.7	175.9	-179.7	7.4	0	0	0	110.5	A271 R274 S278 T279 M280	A271-D276 PolarHBondContact O-N 3.5Å; R274-D276 PolarHBondContact O-N 2.98Å; D276-S278 PolarHBondContact O-N 3.41Å; D276-S278 PolarHBondContact OD1-N 3.42Å; D276-S278 VanDerWaalsContact OD1-N 3.12Å; D276-S278 PolarHBondContact OD1-OG 2.68Å; D276-T279 WeakPolarHBondContact CB-OG1 3.5Å; D276-T279 PolarHBondContact O-OG1 3.23Å; D276-T279 PolarHBondContact OD1-N 3.14Å; D276-T279 WeakPolarHBondContact OD2-CB 3.02Å; D276-T279 WeakPolarHBondContact OD2-CG2 3.47Å; D276-T279 PolarHBondContact OD2-OG1 2.66Å; D276-M280 VanDerWaalsContact O-CG 3.27Å; D276-M280 WeakPolarHBondContact O-CG 3.36Å; D276-M280 PolarHBondContact O-N 3.05Å
277	L	89.4	Confident	87	Confident	77 Å²	77	62.2 Å²	62.2	40%	0.403	30%	0.295	S	S	.	.	H	α-helix	trans	-64.7	-26.7	-178	-56.6	-177.4	0	0	0	112.9	R275 M280 S281 T354 A357 V358	R275-L277 PolarHBondContact O-N 3Å; L277-M280 HydrophobicContact CD2-SD 4.26Å; L277-S281 WeakPolarHBondContact O-CB 3.18Å; L277-S281 PolarHBondContact O-N 2.95Å; L277-T354 HydrophobicContact CD2-CG2 3.85Å; L277-A357 HydrophobicContact CD1-CB 4.49Å; L277-V358 HydrophobicContact CD2-CG2 4.18Å
278	S	89.2	Confident	86.8	Confident	71 Å²	71	59.4 Å²	59.4	50%	0.497	29%	0.291	S	S	.	.	H	α-helix	trans	-70.8	-51.3	-176	68.8	0	0	0	0	111.2	D276 S281 E282	D276-S278 PolarHBondContact O-N 3.41Å; D276-S278 PolarHBondContact OD1-N 3.42Å; D276-S278 VanDerWaalsContact OD1-N 3.12Å; D276-S278 PolarHBondContact OD1-OG 2.68Å; S278-S281 WeakPolarHBondContact O-CB 3.41Å; S278-S281 PolarHBondContact O-N 2.81Å; S278-E282 PolarHBondContact O-N 3.36Å
279	T	87	Confident	86.2	Confident	30 Å²	30	63.6 Å²	63.6	18%	0.184	31%	0.31	C	S	.	.	H	α-helix	trans	-69.8	-33.3	177.4	52.5	0	0	0	0	112	A271 D276 S281 E282 C283	A271-T279 VanDerWaalsContact CB-OG1 3.22Å; A271-T279 WeakPolarHBondContact CB-OG1 3.34Å; D276-T279 WeakPolarHBondContact CB-OG1 3.5Å; D276-T279 PolarHBondContact O-OG1 3.23Å; D276-T279 PolarHBondContact OD1-N 3.14Å; D276-T279 WeakPolarHBondContact OD2-CB 3.02Å; D276-T279 WeakPolarHBondContact OD2-CG2 3.47Å; D276-T279 PolarHBondContact OD2-OG1 2.66Å; T279-S281 VanDerWaalsContact C-N 3.33Å; T279-S281 PolarHBondContact O-N 3.28Å; T279-E282 PolarHBondContact O-N 2.87Å; T279-C283 WeakPolarHBondContact O-CB 3.49Å; T279-C283 PolarHBondContact O-N 2.64Å; T279-C283 PolarHBondContact O-SG 2.99Å; T279-C283 VanDerWaalsContact O-SG 3.4Å
280	M	89.3	Confident	85.6	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.015	30%	0.301	C	S	.	.	H	α-helix	trans	-58.4	-44.9	169.1	-75.1	176.7	75.2	0	0	111.6	F268 A271 S272 D276 L277 C283 A284 Y300 V358	F268-M280 HydrophobicContact CD2-CB 4.2Å; F268-M280 HydrophobicContact CD2-CG 4.35Å; F268-M280 HydrophobicContact CE1-CE 4.24Å; F268-M280 HydrophobicContact CE2-CB 3.9Å; F268-M280 HydrophobicContact CE2-CE 4Å; F268-M280 HydrophobicContact CE2-CG 4.19Å; F268-M280 HydrophobicContact CZ-CE 3.63Å; A271-M280 HydrophobicContact CB-CG 3.69Å; S272-M280 VanDerWaalsContact CA-SD 3.59Å; D276-M280 VanDerWaalsContact O-CG 3.27Å; D276-M280 WeakPolarHBondContact O-CG 3.36Å; D276-M280 PolarHBondContact O-N 3.05Å; L277-M280 HydrophobicContact CD2-SD 4.26Å; M280-C283 PolarHBondContact O-N 3.26Å; M280-A284 VanDerWaalsContact O-CB 3.3Å; M280-A284 WeakPolarHBondContact O-CB 3.41Å; M280-A284 PolarHBondContact O-N 3.4Å; M280-Y300 HydrophobicContact CE-CD2 4.15Å; M280-Y300 HydrophobicContact CE-CE2 3.65Å; M280-V358 HydrophobicContact CB-CG1 3.84Å; M280-V358 HydrophobicContact CB-CG2 3.86Å; M280-V358 HydrophobicContact CE-CG1 4.36Å; M280-V358 HydrophobicContact CE-CG2 4.13Å; M280-V358 HydrophobicContact SD-CG2 4.37Å
281	S	88.6	Confident	84.8	Confident	16 Å²	16	63.6 Å²	63.6	11%	0.112	31%	0.305	C	S	.	.	H	α-helix	trans	-65.5	-40.8	179.6	-173.5	0	0	0	0	112.3	L277 S278 T279 A284 K285 V358	L277-S281 WeakPolarHBondContact O-CB 3.18Å; L277-S281 PolarHBondContact O-N 2.95Å; S278-S281 WeakPolarHBondContact O-CB 3.41Å; S278-S281 PolarHBondContact O-N 2.81Å; T279-S281 VanDerWaalsContact C-N 3.33Å; T279-S281 PolarHBondContact O-N 3.28Å; S281-A284 PolarHBondContact O-N 3.05Å; S281-K285 WeakPolarHBondContact O-CB 3.29Å; S281-K285 VanDerWaalsContact O-CG 3.29Å; S281-K285 WeakPolarHBondContact O-CG 3.46Å; S281-K285 PolarHBondContact O-N 3.04Å; S281-V358 WeakPolarHBondContact CA-O 3.38Å; S281-V358 PolarHBondContact OG-O 3.26Å; S281-V358 VanDerWaalsContact OG-O 3.06Å
282	E	87	Confident	83.7	Confident	103 Å²	103	73.6 Å²	73.6	48%	0.481	34%	0.341	S	S	.	.	H	α-helix	trans	-60	-49.8	173.9	-71.4	175.9	-178.1	0	0	111.5	S278 T279 A284 K285 I286	S278-E282 PolarHBondContact O-N 3.36Å; T279-E282 PolarHBondContact O-N 2.87Å; E282-A284 PolarHBondContact O-N 3.25Å; E282-K285 PolarHBondContact O-N 3.47Å; E282-I286 WeakPolarHBondContact O-CG1 3.41Å; E282-I286 PolarHBondContact O-N 3.38Å; E282-I286 VanDerWaalsContact O-N 3.09Å
283	C	86.3	Confident	83	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.007	34%	0.336	C	S	.	.	H	α-helix	trans	-60.8	-44.6	176.7	-73	0	0	0	0	111.9	F268 T279 M280 K285 I286 L287	F268-C283 HydrophobicContact CB-CB 4Å; F268-C283 HydrophobicContact CD2-CB 3.89Å; F268-C283 HydrophobicContact CG-CB 4.44Å; T279-C283 WeakPolarHBondContact O-CB 3.49Å; T279-C283 PolarHBondContact O-N 2.64Å; T279-C283 PolarHBondContact O-SG 2.99Å; T279-C283 VanDerWaalsContact O-SG 3.4Å; M280-C283 PolarHBondContact O-N 3.26Å; C283-K285 VanDerWaalsContact C-N 3.34Å; C283-K285 PolarHBondContact O-N 3.27Å; C283-I286 PolarHBondContact O-N 3.28Å; C283-L287 WeakPolarHBondContact O-CB 3.23Å; C283-L287 WeakPolarHBondContact O-CG 3.45Å; C283-L287 PolarHBondContact O-N 2.99Å
284	A	86.6	Confident	82.6	Confident	3 Å²	3	67.7 Å²	67.7	3%	0.025	32%	0.317	C	S	.	.	H	α-helix	trans	-62.8	-38.5	178.7	0	0	0	0	0	112.4	F268 M280 S281 E282 S288 V358 F359	F268-A284 HydrophobicContact CE2-CB 4.21Å; M280-A284 VanDerWaalsContact O-CB 3.3Å; M280-A284 WeakPolarHBondContact O-CB 3.41Å; M280-A284 PolarHBondContact O-N 3.4Å; S281-A284 PolarHBondContact O-N 3.05Å; E282-A284 PolarHBondContact O-N 3.25Å; A284-S288 WeakPolarHBondContact O-CB 3.26Å; A284-S288 PolarHBondContact O-N 3.42Å; A284-V358 HydrophobicContact CB-CG1 3.87Å; A284-F359 HydrophobicContact CB-CD1 3.87Å; A284-F359 HydrophobicContact CB-CE1 4.03Å; A284-F359 HydrophobicContact CB-CG 4.45Å
285	K	84.4	Confident	82	Confident	116 Å²	116	59.3 Å²	59.3	50%	0.504	29%	0.29	S	S	.	.	H	α-helix	trans	-62.2	-44	173.3	-77.2	167.8	-174.9	168.5	0	111.8	S281 E282 C283 S288 P360	S281-K285 WeakPolarHBondContact O-CB 3.29Å; S281-K285 VanDerWaalsContact O-CG 3.29Å; S281-K285 WeakPolarHBondContact O-CG 3.46Å; S281-K285 PolarHBondContact O-N 3.04Å; E282-K285 PolarHBondContact O-N 3.47Å; C283-K285 VanDerWaalsContact C-N 3.34Å; C283-K285 PolarHBondContact O-N 3.27Å; K285-S288 PolarHBondContact O-N 2.86Å; K285-S288 PolarHBondContact O-OG 3.46Å; K285-P360 HydrophobicContact CG-CG 3.82Å
286	I	83.2	Confident	81.8	Confident	24 Å²	24	49 Å²	49	12%	0.123	25%	0.251	C	S	.	.	H	α-helix	trans	-68.4	-46.9	178.2	-59.5	164.9	0	0	0	110.1	A211 A214 L264 E282 C283 S288 Q289 F290	A211-I286 HydrophobicContact CB-CD1 3.76Å; A211-I286 HydrophobicContact CB-CG1 3.85Å; A214-I286 HydrophobicContact CB-CG2 3.65Å; L264-I286 HydrophobicContact CD1-CB 4.34Å; L264-I286 HydrophobicContact CD1-CG2 3.57Å; L264-I286 HydrophobicContact CD2-CD1 4.38Å; L264-I286 HydrophobicContact CD2-CG2 4.34Å; E282-I286 WeakPolarHBondContact O-CG1 3.41Å; E282-I286 PolarHBondContact O-N 3.38Å; E282-I286 VanDerWaalsContact O-N 3.09Å; C283-I286 PolarHBondContact O-N 3.28Å; I286-S288 PolarHBondContact O-N 3.23Å; I286-Q289 VanDerWaalsContact O-CB 3.3Å; I286-Q289 WeakPolarHBondContact O-CB 3.39Å; I286-Q289 PolarHBondContact O-N 2.9Å; I286-F290 HydrophobicContact CG2-CE2 4.3Å
287	L	83.2	Confident	81.7	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-29.2	177.7	-75.4	166.8	0	0	0	112.7	E261 L264 L265 C283 Q289 F290 G293 A296	E261-L287 HydrophobicContact CG-CD2 4.09Å; L264-L287 HydrophobicContact CB-CD1 4.22Å; L264-L287 HydrophobicContact CB-CD2 3.67Å; L264-L287 HydrophobicContact CB-CG 3.94Å; L264-L287 HydrophobicContact CD1-CD2 4.09Å; L264-L287 HydrophobicContact CD1-CG 4.33Å; L265-L287 HydrophobicContact CD2-CD1 4.12Å; L265-L287 HydrophobicContact CG-CD2 4.48Å; C283-L287 WeakPolarHBondContact O-CB 3.23Å; C283-L287 WeakPolarHBondContact O-CG 3.45Å; C283-L287 PolarHBondContact O-N 2.99Å; L287-Q289 PolarHBondContact O-N 3.09Å; L287-Q289 VanDerWaalsContact O-N 3.13Å; L287-F290 PolarHBondContact O-N 2.82Å; L287-G293 WeakPolarHBondContact O-CA 3.33Å; L287-A296 HydrophobicContact CB-CB 3.74Å; L287-A296 HydrophobicContact CD1-CB 3.68Å; L287-A296 HydrophobicContact CG-CB 4.22Å
288	S	81.3	Confident	81.6	Confident	43 Å²	43	48.2 Å²	48.2	30%	0.301	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-22	174.5	77.2	0	0	0	0	113.7	A284 K285 I286 R292 G293	A284-S288 WeakPolarHBondContact O-CB 3.26Å; A284-S288 PolarHBondContact O-N 3.42Å; K285-S288 PolarHBondContact O-N 2.86Å; K285-S288 PolarHBondContact O-OG 3.46Å; I286-S288 PolarHBondContact O-N 3.23Å; S288-R292 CarbonylContact O-C 3.59Å; S288-R292 VanDerWaalsContact O-CA 3.28Å; S288-R292 WeakPolarHBondContact O-CA 3.31Å; S288-G293 PolarHBondContact O-N 2.89Å
289	Q	75.7	Confident	81.4	Confident	87 Å²	87	47.8 Å²	47.8	41%	0.407	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-24.6	175.7	-55.9	-177.4	9.7	0	0	112.5	I286 L287	I286-Q289 VanDerWaalsContact O-CB 3.3Å; I286-Q289 WeakPolarHBondContact O-CB 3.39Å; I286-Q289 PolarHBondContact O-N 2.9Å; L287-Q289 PolarHBondContact O-N 3.09Å; L287-Q289 VanDerWaalsContact O-N 3.13Å
290	F	73.4	Confident	81.5	Confident	3 Å²	3	46.4 Å²	46.4	1%	0.013	23%	0.225	C	C	.	.	S	Bend	trans	-93.9	122.5	177.3	-64.8	-81.7	0	0	0	109.7	A214 C257 L260 L264 I286 L287 R292 G293	A214-F290 HydrophobicContact CB-CE2 3.39Å; A214-F290 HydrophobicContact CB-CZ 3.43Å; A214-F290 VanDerWaalsContact CB-CZ 3.43Å; C257-F290 HydrophobicContact CB-CE1 4.4Å; L260-F290 HydrophobicContact CD2-CZ 3.93Å; L264-F290 HydrophobicContact CD1-CE2 4.06Å; I286-F290 HydrophobicContact CG2-CE2 4.3Å; L287-F290 PolarHBondContact O-N 2.82Å; F290-R292 PolarHBondContact O-N 3.19Å; F290-G293 PolarHBondContact O-N 3.08Å
291	N	69.8	Low	81.6	Confident	76 Å²	76	46.2 Å²	46.2	41%	0.406	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	48.4	33.6	179.4	-62.7	-32.1	0	0	0	114.2	G293 T294	N291-G293 PolarHBondContact O-N 2.98Å; N291-T294 PolarHBondContact O-N 3.4Å; N291-T294 PolarHBondContact O-OG1 3.04Å
292	R	65.2	Low	81.5	Confident	216 Å²	216	46.9 Å²	46.9	82%	0.815	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	57.2	26.1	-175.5	-52.8	-179	179.4	-173.5	-0.4	114.1	S288 F290 T294 M297	S288-R292 CarbonylContact O-C 3.59Å; S288-R292 VanDerWaalsContact O-CA 3.28Å; S288-R292 WeakPolarHBondContact O-CA 3.31Å; F290-R292 PolarHBondContact O-N 3.19Å; R292-T294 PolarHBondContact O-N 3.44Å; R292-M297 WeakPolarHBondContact O-CE 3.45Å
293	G	72.4	Confident	81.5	Confident	5 Å²	5	43.9 Å²	43.9	5%	0.052	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	76.1	-0.7	-179.9	0	0	0	0	0	115.5	L287 S288 F290 N291 S295 A296 M297	L287-G293 WeakPolarHBondContact O-CA 3.33Å; S288-G293 PolarHBondContact O-N 2.89Å; F290-G293 PolarHBondContact O-N 3.08Å; N291-G293 PolarHBondContact O-N 2.98Å; G293-S295 VanDerWaalsContact C-N 3.31Å; G293-S295 PolarHBondContact O-N 3.39Å; G293-A296 PolarHBondContact O-N 2.67Å; G293-M297 VanDerWaalsContact O-CG 3.29Å; G293-M297 WeakPolarHBondContact O-CG 3.27Å; G293-M297 PolarHBondContact O-N 2.88Å
294	T	78.6	Confident	81.6	Confident	60 Å²	60	45.1 Å²	45.1	37%	0.368	22%	0.224	S	C	.	.	H	α-helix	trans	-54.1	-43.9	-175.6	49.6	0	0	0	0	113	N291 R292 A296 M297 Q298	N291-T294 PolarHBondContact O-N 3.4Å; N291-T294 PolarHBondContact O-OG1 3.04Å; R292-T294 PolarHBondContact O-N 3.44Å; T294-A296 PolarHBondContact O-N 3.35Å; T294-M297 HydrophobicContact CG2-CE 4.26Å; T294-M297 PolarHBondContact O-N 3.39Å; T294-Q298 WeakPolarHBondContact O-CB 3.46Å; T294-Q298 VanDerWaalsContact O-CG 3.32Å; T294-Q298 WeakPolarHBondContact O-CG 3.44Å; T294-Q298 PolarHBondContact O-N 2.99Å
295	S	76	Confident	81.4	Confident	32 Å²	32	49 Å²	49	22%	0.224	25%	0.249	C	C	.	.	H	α-helix	trans	-58.2	-46.7	175.9	-44.1	0	0	0	0	112.1	E261 G293 H299	E261-S295 WeakPolarHBondContact OE1-CB 3.15Å; E261-S295 PolarHBondContact OE1-OG 3.29Å; G293-S295 VanDerWaalsContact C-N 3.31Å; G293-S295 PolarHBondContact O-N 3.39Å; S295-H299 WeakPolarHBondContact O-CB 3.44Å; S295-H299 PolarHBondContact O-N 3.19Å
296	A	81.3	Confident	81.5	Confident	2 Å²	2	44.4 Å²	44.4	2%	0.017	23%	0.23	C	C	.	.	H	α-helix	trans	-67.9	-40.1	-178.3	0	0	0	0	0	112.1	L265 L287 G293 T294 Y300	L265-A296 HydrophobicContact CD2-CB 4.4Å; L287-A296 HydrophobicContact CB-CB 3.74Å; L287-A296 HydrophobicContact CD1-CB 3.68Å; L287-A296 HydrophobicContact CG-CB 4.22Å; G293-A296 PolarHBondContact O-N 2.67Å; T294-A296 PolarHBondContact O-N 3.35Å; A296-Y300 VanDerWaalsContact O-CB 3.28Å; A296-Y300 WeakPolarHBondContact O-CB 3.32Å; A296-Y300 PolarHBondContact O-N 3.3Å
297	M	87	Confident	81.6	Confident	7 Å²	7	45 Å²	45	3%	0.034	23%	0.231	C	C	.	.	H	α-helix	trans	-64.2	-49.6	176.3	-61.1	-169.1	-90.5	0	0	111	R292 G293 T294 H299 Y300 V301 F359 E364 V365 I368	R292-M297 WeakPolarHBondContact O-CE 3.45Å; G293-M297 VanDerWaalsContact O-CG 3.29Å; G293-M297 WeakPolarHBondContact O-CG 3.27Å; G293-M297 PolarHBondContact O-N 2.88Å; T294-M297 HydrophobicContact CG2-CE 4.26Å; T294-M297 PolarHBondContact O-N 3.39Å; M297-H299 PolarHBondContact O-N 3.42Å; M297-Y300 PolarHBondContact O-N 2.92Å; M297-V301 WeakPolarHBondContact O-CG2 3.46Å; M297-V301 PolarHBondContact O-N 3.11Å; M297-V301 VanDerWaalsContact O-N 3.07Å; M297-F359 HydrophobicContact CG-CD1 4.24Å; M297-F359 HydrophobicContact CG-CE1 4.22Å; M297-E364 HydrophobicContact CE-CB 4.34Å; M297-E364 HydrophobicContact SD-CB 3.85Å; M297-V365 HydrophobicContact CB-CG2 4.19Å; M297-V365 HydrophobicContact CG-CG2 3.62Å; M297-V365 HydrophobicContact SD-CG2 3.5Å; M297-V365 VanDerWaalsContact SD-CG2 3.5Å; M297-I368 HydrophobicContact CB-CD1 3.83Å; M297-I368 HydrophobicContact SD-CD1 4.5Å
298	Q	87.2	Confident	81.6	Confident	113 Å²	113	50 Å²	50	53%	0.528	26%	0.257	S	S	.	.	H	α-helix	trans	-63.1	-41.6	177.2	-72.1	179.5	-2.4	0	0	111.9	T294 V301 A302	T294-Q298 WeakPolarHBondContact O-CB 3.46Å; T294-Q298 VanDerWaalsContact O-CG 3.32Å; T294-Q298 WeakPolarHBondContact O-CG 3.44Å; T294-Q298 PolarHBondContact O-N 2.99Å; Q298-V301 PolarHBondContact O-N 2.83Å; Q298-A302 WeakPolarHBondContact O-CB 3.49Å; Q298-A302 PolarHBondContact O-N 3.19Å
299	H	85.4	Confident	81.6	Confident	61 Å²	61	51.2 Å²	51.2	28%	0.282	26%	0.26	S	S	.	.	H	α-helix	trans	-64.1	-45.1	177.2	-168.6	-88.9	0	0	0	111.7	L265 D269 S295 M297 V301 A302 T303	L265-H299 HydrophobicContact CD2-CB 3.98Å; D269-H299 VanDerWaalsContact CG-CE1 3.5Å; D269-H299 IonicContact OD1-CE1 3.23Å; D269-H299 PolarHBondContact OD1-CE1 2.83Å; D269-H299 IonicContact OD1-ND1 3.47Å; D269-H299 PolarHBondContact OD1-ND1 3.38Å; D269-H299 IonicContact OD2-CE1 2.85Å; D269-H299 PolarHBondContact OD2-CE1 2.75Å; D269-H299 IonicContact OD2-ND1 3.23Å; D269-H299 IonicContact OD2-NE2 3.62Å; S295-H299 WeakPolarHBondContact O-CB 3.44Å; S295-H299 PolarHBondContact O-N 3.19Å; M297-H299 PolarHBondContact O-N 3.42Å; H299-V301 PolarHBondContact O-N 2.75Å; H299-A302 PolarHBondContact O-N 3.17Å; H299-T303 VanDerWaalsContact CE1-CG2 3.46Å; H299-T303 WeakPolarHBondContact CE1-CG2 3.43Å; H299-T303 WeakPolarHBondContact O-CB 3.38Å; H299-T303 VanDerWaalsContact O-CG2 3.29Å; H299-T303 WeakPolarHBondContact O-CG2 3.49Å; H299-T303 PolarHBondContact O-N 3.38Å; H299-T303 PolarHBondContact O-OG1 3.38Å
300	Y	89.3	Confident	81.8	Confident	1 Å²	1	51.6 Å²	51.6	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-58.2	-47.7	176.4	176.5	-97.7	0	0	0	111.9	F268 M280 A296 M297 T303 R304 E351 T354 I355 F359 V365	F268-Y300 AromaticContact CE1-CD2 3.63Å; F268-Y300 HydrophobicContact CE1-CD2 3.63Å; F268-Y300 HydrophobicContact CE1-CG 4.32Å; F268-Y300 AromaticContact CZ-CD2 3.59Å; F268-Y300 HydrophobicContact CZ-CD2 3.59Å; F268-Y300 HydrophobicContact CZ-CE2 4.34Å; F268-Y300 HydrophobicContact CZ-CG 4.27Å; M280-Y300 HydrophobicContact CE-CD2 4.15Å; M280-Y300 HydrophobicContact CE-CE2 3.65Å; A296-Y300 VanDerWaalsContact O-CB 3.28Å; A296-Y300 WeakPolarHBondContact O-CB 3.32Å; A296-Y300 PolarHBondContact O-N 3.3Å; M297-Y300 PolarHBondContact O-N 2.92Å; Y300-T303 PolarHBondContact O-N 2.88Å; Y300-T303 PolarHBondContact O-OG1 2.91Å; Y300-R304 WeakPolarHBondContact O-CG 3.35Å; Y300-R304 PolarHBondContact O-NE 3.17Å; Y300-R304 PolarHBondContact OH-NH1 2.79Å; Y300-E351 PolarHBondContact OH-OE2 3.31Å; Y300-T354 WeakPolarHBondContact OH-CG2 3.35Å; Y300-I355 HydrophobicContact CD1-CG1 4.43Å; Y300-I355 HydrophobicContact CE1-CD1 4.1Å; Y300-I355 HydrophobicContact CE1-CG1 3.73Å; Y300-F359 AromaticContact CD1-CE2 3.88Å; Y300-F359 HydrophobicContact CD1-CE2 3.88Å; Y300-F359 HydrophobicContact CD1-CZ 4.14Å; Y300-F359 HydrophobicContact CD2-CE2 4.11Å; Y300-F359 HydrophobicContact CD2-CZ 4.13Å; Y300-F359 HydrophobicContact CE1-CE2 4.27Å; Y300-F359 HydrophobicContact CE2-CE2 4.43Å; Y300-F359 AromaticContact CG-CE2 3.81Å; Y300-F359 HydrophobicContact CG-CE2 3.81Å; Y300-F359 AromaticContact CG-CZ 3.7Å; Y300-F359 HydrophobicContact CG-CZ 3.7Å; Y300-V365 HydrophobicContact CD1-CG1 4.29Å
301	V	90.7	Very high	82.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.8	-44.6	178.1	174.8	0	0	0	0	110.5	M297 Q298 H299 T303 R304 F307 V365 I368 L369 R372	M297-V301 WeakPolarHBondContact O-CG2 3.46Å; M297-V301 PolarHBondContact O-N 3.11Å; M297-V301 VanDerWaalsContact O-N 3.07Å; Q298-V301 PolarHBondContact O-N 2.83Å; H299-V301 PolarHBondContact O-N 2.75Å; V301-T303 VanDerWaalsContact C-N 3.26Å; V301-T303 PolarHBondContact O-N 3.05Å; V301-R304 PolarHBondContact O-N 2.87Å; V301-F307 HydrophobicContact CG1-CD2 4.46Å; V301-F307 HydrophobicContact CG1-CE2 3.86Å; V301-F307 HydrophobicContact CG1-CZ 4.49Å; V301-F307 VanDerWaalsContact O-CD2 3.23Å; V301-F307 WeakPolarHBondContact O-CD2 3.44Å; V301-V365 HydrophobicContact CG2-CG1 4.23Å; V301-I368 HydrophobicContact CB-CG2 4.23Å; V301-I368 HydrophobicContact CG1-CG2 4.29Å; V301-I368 HydrophobicContact CG2-CB 4.46Å; V301-I368 HydrophobicContact CG2-CG2 4.02Å; V301-L369 HydrophobicContact CG1-CD1 4.09Å; V301-L369 HydrophobicContact CG2-CB 4.11Å; V301-R372 HydrophobicContact CG1-CB 4.25Å
302	A	87.8	Confident	83	Confident	29 Å²	29	56.4 Å²	56.4	24%	0.24	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-29.7	-179.6	0	0	0	0	0	113.6	Q298 H299 R304 I308	Q298-A302 WeakPolarHBondContact O-CB 3.49Å; Q298-A302 PolarHBondContact O-N 3.19Å; H299-A302 PolarHBondContact O-N 3.17Å; A302-R304 VanDerWaalsContact C-N 3.34Å; A302-I308 VanDerWaalsContact O-CD1 3.26Å; A302-I308 WeakPolarHBondContact O-CD1 3.38Å; A302-I308 VanDerWaalsContact O-CG1 3.31Å; A302-I308 WeakPolarHBondContact O-CG1 3.22Å
303	T	87.3	Confident	83.7	Confident	41 Å²	41	50.6 Å²	50.6	25%	0.252	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-4.3	179.8	53.4	0	0	0	0	114.3	H299 Y300 V301	H299-T303 VanDerWaalsContact CE1-CG2 3.46Å; H299-T303 WeakPolarHBondContact CE1-CG2 3.43Å; H299-T303 WeakPolarHBondContact O-CB 3.38Å; H299-T303 VanDerWaalsContact O-CG2 3.29Å; H299-T303 WeakPolarHBondContact O-CG2 3.49Å; H299-T303 PolarHBondContact O-N 3.38Å; H299-T303 PolarHBondContact O-OG1 3.38Å; Y300-T303 PolarHBondContact O-N 2.88Å; Y300-T303 PolarHBondContact O-OG1 2.91Å; V301-T303 VanDerWaalsContact C-N 3.26Å; V301-T303 PolarHBondContact O-N 3.05Å
304	R	87.2	Confident	84.2	Confident	26 Å²	26	53.9 Å²	53.9	10%	0.098	29%	0.29	C	S	.	.	S	Bend	trans	-68	136.8	180	-61.9	-57.2	90.6	-175.1	2.8	110.4	S272 Y300 V301 A302 M306 F307 E351	S272-R304 PolarHBondContact OG-NH2 2.65Å; Y300-R304 WeakPolarHBondContact O-CG 3.35Å; Y300-R304 PolarHBondContact O-NE 3.17Å; Y300-R304 PolarHBondContact OH-NH1 2.79Å; V301-R304 PolarHBondContact O-N 2.87Å; A302-R304 VanDerWaalsContact C-N 3.34Å; R304-M306 HydrophobicContact CB-CE 4.11Å; R304-M306 HydrophobicContact CB-CG 4.16Å; R304-M306 HydrophobicContact CG-CE 4.43Å; R304-M306 PolarHBondContact O-N 3.32Å; R304-F307 HydrophobicContact CB-CD2 4.01Å; R304-F307 HydrophobicContact CB-CE2 4.28Å; R304-F307 PolarHBondContact O-N 3.1Å; R304-E351 WeakPolarHBondContact CD-OE2 3.48Å; R304-E351 IonicContact NH1-OE2 3.44Å
305	P	83.7	Confident	84.6	Confident	86 Å²	86	53.5 Å²	53.5	56%	0.558	29%	0.29	S	S	*	.	H	α-helix	trans	-52.9	-33	-179.5	-28.5	34.6	0	0	0	114.1	F307 I308 D309	P305-F307 PolarHBondContact O-N 3.23Å; P305-I308 PolarHBondContact O-N 3.35Å; P305-D309 WeakPolarHBondContact O-CB 3.46Å; P305-D309 PolarHBondContact O-N 2.58Å; P305-D309 VanDerWaalsContact O-N 3.1Å
306	M	85.5	Confident	85.2	Confident	18 Å²	18	52.1 Å²	52.1	9%	0.089	28%	0.28	C	S	.	.	H	α-helix	trans	-62.2	-13.8	-179.3	74.5	-176.8	87.8	0	0	115	R304 T347 E351 L369 V373	R304-M306 HydrophobicContact CB-CE 4.11Å; R304-M306 HydrophobicContact CB-CG 4.16Å; R304-M306 HydrophobicContact CG-CE 4.43Å; R304-M306 PolarHBondContact O-N 3.32Å; M306-T347 HydrophobicContact CE-CG2 3.34Å; M306-T347 HydrophobicContact SD-CG2 4.2Å; M306-E351 HydrophobicContact CE-CG 3.83Å; M306-L369 HydrophobicContact CE-CD1 4.49Å; M306-L369 HydrophobicContact SD-CD1 4.43Å; M306-V373 HydrophobicContact SD-CG2 4.32Å
307	F	86.6	Confident	85.5	Confident	36 Å²	36	54 Å²	54	16%	0.158	29%	0.289	C	S	.	.	H	α-helix	trans	-114.9	-20.1	178.6	-55.4	-65.6	0	0	0	114.1	V301 R304 P305 L369 R372 V373	V301-F307 HydrophobicContact CG1-CD2 4.46Å; V301-F307 HydrophobicContact CG1-CE2 3.86Å; V301-F307 HydrophobicContact CG1-CZ 4.49Å; V301-F307 VanDerWaalsContact O-CD2 3.23Å; V301-F307 WeakPolarHBondContact O-CD2 3.44Å; R304-F307 HydrophobicContact CB-CD2 4.01Å; R304-F307 HydrophobicContact CB-CE2 4.28Å; R304-F307 PolarHBondContact O-N 3.1Å; P305-F307 PolarHBondContact O-N 3.23Å; F307-L369 HydrophobicContact CE2-CD1 3.85Å; F307-L369 HydrophobicContact CZ-CD1 4.03Å; F307-R372 HydrophobicContact CD1-CG 4.05Å; F307-R372 HydrophobicContact CE1-CB 4.12Å; F307-R372 HydrophobicContact CE1-CG 3.75Å; F307-R372 HydrophobicContact CE2-CG 4.49Å; F307-R372 HydrophobicContact CZ-CB 4.01Å; F307-R372 HydrophobicContact CZ-CG 3.99Å; F307-V373 HydrophobicContact CE1-CG2 4.19Å; F307-V373 HydrophobicContact CZ-CG2 3.8Å
308	I	81.8	Confident	85.5	Confident	108 Å²	108	61.2 Å²	61.2	55%	0.554	32%	0.316	S	S	*	.	H	α-helix	trans	-94.8	-37.9	-176.8	-66.1	178.2	0	0	0	111.2	A302 P305 V310	A302-I308 VanDerWaalsContact O-CD1 3.26Å; A302-I308 WeakPolarHBondContact O-CD1 3.38Å; A302-I308 VanDerWaalsContact O-CG1 3.31Å; A302-I308 WeakPolarHBondContact O-CG1 3.22Å; P305-I308 PolarHBondContact O-N 3.35Å; I308-V310 PolarHBondContact O-N 3.09Å; I308-V310 VanDerWaalsContact O-N 3.16Å
309	D	81.3	Confident	85.6	Confident	69 Å²	69	59.5 Å²	59.5	37%	0.369	31%	0.31	S	S	.	.			trans	-78.5	107.4	-170.5	-166.6	-13.3	0	0	0	110.9	P305 E311 V312 M313	P305-D309 WeakPolarHBondContact O-CB 3.46Å; P305-D309 PolarHBondContact O-N 2.58Å; P305-D309 VanDerWaalsContact O-N 3.1Å; D309-E311 PolarHBondContact O-N 3.39Å; D309-E311 VanDerWaalsContact OD1-CB 3.22Å; D309-E311 WeakPolarHBondContact OD1-CB 3.49Å; D309-E311 PolarHBondContact OD1-N 3.42Å; D309-V312 HydrophobicContact CB-CB 4.22Å; D309-V312 HydrophobicContact CB-CG2 3.71Å; D309-V312 WeakPolarHBondContact O-CB 3.49Å; D309-V312 PolarHBondContact O-N 2.95Å; D309-M313 PolarHBondContact O-N 2.94Å
310	V	80.9	Confident	85.9	Confident	95 Å²	95	56.8 Å²	56.8	58%	0.576	30%	0.298	S	S	*	.	H	α-helix	trans	-59.7	-27.7	176.1	179.8	0	0	0	0	110.9	I308 V312 M313 N314	I308-V310 PolarHBondContact O-N 3.09Å; I308-V310 VanDerWaalsContact O-N 3.16Å; V310-V312 VanDerWaalsContact C-N 3.33Å; V310-M313 PolarHBondContact O-N 3.2Å; V310-N314 WeakPolarHBondContact O-CB 3.49Å; V310-N314 PolarHBondContact O-N 3.17Å; V310-N314 PolarHBondContact O-ND2 2.91Å; V310-N314 VanDerWaalsContact O-ND2 3.1Å
311	E	83.5	Confident	85.7	Confident	149 Å²	149	58.8 Å²	58.8	70%	0.696	31%	0.309	S	S	*	.	H	α-helix	trans	-67	-35.3	175	-59.1	-169.2	167.6	0	0	111.8	D309 N314 S315	D309-E311 PolarHBondContact O-N 3.39Å; D309-E311 VanDerWaalsContact OD1-CB 3.22Å; D309-E311 WeakPolarHBondContact OD1-CB 3.49Å; D309-E311 PolarHBondContact OD1-N 3.42Å; E311-N314 PolarHBondContact O-N 2.99Å; E311-S315 VanDerWaalsContact O-CB 3.29Å; E311-S315 WeakPolarHBondContact O-CB 3.22Å; E311-S315 PolarHBondContact O-N 3.01Å
312	V	84.4	Confident	85.4	Confident	30 Å²	30	60.4 Å²	60.4	18%	0.182	33%	0.325	C	S	.	.	H	α-helix	trans	-62.9	-49.4	175.7	173.6	0	0	0	0	110	D309 V310 N314 S315 D316	D309-V312 HydrophobicContact CB-CB 4.22Å; D309-V312 HydrophobicContact CB-CG2 3.71Å; D309-V312 WeakPolarHBondContact O-CB 3.49Å; D309-V312 PolarHBondContact O-N 2.95Å; V310-V312 VanDerWaalsContact C-N 3.33Å; V312-N314 VanDerWaalsContact C-N 3.32Å; V312-N314 PolarHBondContact O-N 2.93Å; V312-S315 WeakPolarHBondContact CA-OG 3.49Å; V312-S315 WeakPolarHBondContact O-CA 3.33Å; V312-S315 WeakPolarHBondContact O-CB 3.46Å; V312-S315 PolarHBondContact O-N 3.22Å; V312-S315 PolarHBondContact O-OG 2.97Å; V312-D316 PolarHBondContact O-N 3.16Å
313	M	80	Confident	84.8	Confident	95 Å²	95	64.9 Å²	64.9	47%	0.468	35%	0.345	S	S	.	.	H	α-helix	trans	-65.3	-35.6	179.5	-172.2	152.9	55.2	0	0	112.5	D309 V310 S315 D316 I317	D309-M313 PolarHBondContact O-N 2.94Å; V310-M313 PolarHBondContact O-N 3.2Å; M313-S315 VanDerWaalsContact C-N 3.34Å; M313-D316 PolarHBondContact O-N 3.23Å; M313-I317 WeakPolarHBondContact O-CG1 3.41Å; M313-I317 PolarHBondContact O-N 3.1Å
314	N	83.7	Confident	83.6	Confident	73 Å²	73	72.1 Å²	72.1	39%	0.39	38%	0.376	S	S	.	.	H	α-helix	trans	-68.5	-33.1	171.9	-74.8	-38.1	0	0	0	112.6	V310 E311 V312 I317 R318	V310-N314 WeakPolarHBondContact O-CB 3.49Å; V310-N314 PolarHBondContact O-N 3.17Å; V310-N314 PolarHBondContact O-ND2 2.91Å; V310-N314 VanDerWaalsContact O-ND2 3.1Å; E311-N314 PolarHBondContact O-N 2.99Å; V312-N314 VanDerWaalsContact C-N 3.32Å; V312-N314 PolarHBondContact O-N 2.93Å; N314-I317 PolarHBondContact O-N 3.08Å; N314-R318 WeakPolarHBondContact O-CG 3.41Å; N314-R318 PolarHBondContact O-N 3.27Å; N314-R318 VanDerWaalsContact O-N 3.09Å
315	S	86.2	Confident	82.5	Confident	52 Å²	52	74.9 Å²	74.9	36%	0.364	41%	0.412	S	S	.	.	H	α-helix	trans	-68	-37.7	176	78.4	0	0	0	0	111.6	E311 V312 M313 I317 R318 L319	E311-S315 VanDerWaalsContact O-CB 3.29Å; E311-S315 WeakPolarHBondContact O-CB 3.22Å; E311-S315 PolarHBondContact O-N 3.01Å; V312-S315 WeakPolarHBondContact CA-OG 3.49Å; V312-S315 WeakPolarHBondContact O-CA 3.33Å; V312-S315 WeakPolarHBondContact O-CB 3.46Å; V312-S315 PolarHBondContact O-N 3.22Å; V312-S315 PolarHBondContact O-OG 2.97Å; M313-S315 VanDerWaalsContact C-N 3.34Å; S315-I317 VanDerWaalsContact C-N 3.34Å; S315-I317 PolarHBondContact O-N 3.21Å; S315-R318 PolarHBondContact O-N 3.38Å; S315-L319 WeakPolarHBondContact O-CB 3.43Å; S315-L319 PolarHBondContact O-N 2.86Å
316	D	89	Confident	81.6	Confident	3 Å²	3	74.3 Å²	74.3	2%	0.016	41%	0.41	C	S	.	.	H	α-helix	trans	-60.1	-45.8	174.1	-64	-11.7	0	0	0	110.6	V312 M313 R318 L319 V320 L340 R377	V312-D316 PolarHBondContact O-N 3.16Å; M313-D316 PolarHBondContact O-N 3.23Å; D316-R318 PolarHBondContact O-N 3.25Å; D316-L319 PolarHBondContact O-N 2.78Å; D316-V320 WeakPolarHBondContact O-CG2 3.32Å; D316-V320 PolarHBondContact O-N 3.26Å; D316-L340 HydrophobicContact CB-CD1 3.94Å; D316-L340 HydrophobicContact CB-CD2 4.06Å; D316-L340 WeakPolarHBondContact OD1-CD1 3.48Å; D316-R377 IonicContact OD1-CZ 3.95Å; D316-R377 IonicContact OD1-NE 2.66Å; D316-R377 IonicContact OD1-NH2 3.16Å; D316-R377 PolarHBondContact OD1-NH2 3.27Å; D316-R377 WeakPolarHBondContact OD2-CG 3.19Å; D316-R377 IonicContact OD2-CZ 3.98Å; D316-R377 IonicContact OD2-NE 3.42Å; D316-R377 PolarHBondContact OD2-NE 3.12Å; D316-R377 IonicContact OD2-NH2 3.98Å; D316-R377 PolarHBondContact OD2-NH2 3.28Å
317	I	87.2	Confident	80.9	Confident	43 Å²	43	79.8 Å²	79.8	22%	0.221	44%	0.435	C	S	.	.	H	α-helix	trans	-59.3	-47.7	176.6	-67.6	170	0	0	0	110.8	M313 N314 S315 L319 V320 L321 I381 K384	M313-I317 WeakPolarHBondContact O-CG1 3.41Å; M313-I317 PolarHBondContact O-N 3.1Å; N314-I317 PolarHBondContact O-N 3.08Å; S315-I317 VanDerWaalsContact C-N 3.34Å; S315-I317 PolarHBondContact O-N 3.21Å; I317-L319 VanDerWaalsContact C-N 3.34Å; I317-L319 PolarHBondContact O-N 3.01Å; I317-V320 PolarHBondContact O-N 2.95Å; I317-L321 HydrophobicContact CG2-CD1 4.35Å; I317-L321 WeakPolarHBondContact O-CB 3.44Å; I317-L321 PolarHBondContact O-N 3.24Å; I317-I381 HydrophobicContact CB-CD1 4.49Å; I317-I381 HydrophobicContact CG1-CD1 3.99Å; I317-K384 HydrophobicContact CD1-CG 4.4Å
318	R	87.5	Confident	80.5	Confident	157 Å²	157	80.2 Å²	80.2	59%	0.592	44%	0.442	S	S	*	.	H	α-helix	trans	-65.8	-36.4	178.9	-69.3	179.2	-163.3	166	5.8	112.3	N314 S315 D316 V320 G322	N314-R318 WeakPolarHBondContact O-CG 3.41Å; N314-R318 PolarHBondContact O-N 3.27Å; N314-R318 VanDerWaalsContact O-N 3.09Å; S315-R318 PolarHBondContact O-N 3.38Å; D316-R318 PolarHBondContact O-N 3.25Å; R318-V320 VanDerWaalsContact C-N 3.32Å; R318-V320 PolarHBondContact O-N 3.17Å; R318-G322 WeakPolarHBondContact O-CA 3.4Å; R318-G322 PolarHBondContact O-N 2.92Å
319	L	88.8	Confident	80.8	Confident	78 Å²	78	76.7 Å²	76.7	41%	0.408	43%	0.427	S	S	.	.	H	α-helix	trans	-64.9	-38.3	178.8	-177.8	64.1	0	0	0	111.6	S315 D316 I317 A339 L340	S315-L319 WeakPolarHBondContact O-CB 3.43Å; S315-L319 PolarHBondContact O-N 2.86Å; D316-L319 PolarHBondContact O-N 2.78Å; I317-L319 VanDerWaalsContact C-N 3.34Å; I317-L319 PolarHBondContact O-N 3.01Å; L319-A339 HydrophobicContact CD1-CB 4.45Å; L319-A339 HydrophobicContact CD2-CB 4.19Å; L319-L340 HydrophobicContact CD2-CB 4.03Å
320	V	91.1	Very high	81.3	Confident	4 Å²	4	75.1 Å²	75.1	2%	0.024	42%	0.42	C	S	.	.	H	α-helix	trans	-91.6	-46.9	-175	-176.8	0	0	0	0	113.3	D316 I317 R318 V333 L337 L340 I381 I385	D316-V320 WeakPolarHBondContact O-CG2 3.32Å; D316-V320 PolarHBondContact O-N 3.26Å; I317-V320 PolarHBondContact O-N 2.95Å; R318-V320 VanDerWaalsContact C-N 3.32Å; R318-V320 PolarHBondContact O-N 3.17Å; V320-V333 HydrophobicContact CG1-CB 4.48Å; V320-V333 HydrophobicContact CG1-CG1 3.95Å; V320-L337 HydrophobicContact CG1-CD2 4Å; V320-L337 HydrophobicContact CG1-CG 3.93Å; V320-L337 HydrophobicContact CG2-CD2 4.12Å; V320-L340 HydrophobicContact CG2-CB 4.26Å; V320-L340 HydrophobicContact CG2-CD2 3.86Å; V320-I381 HydrophobicContact CB-CD1 4.14Å; V320-I381 HydrophobicContact CB-CG1 4.34Å; V320-I381 HydrophobicContact CG2-CD1 4.24Å; V320-I381 HydrophobicContact CG2-CG1 4.11Å; V320-I385 HydrophobicContact CG1-CD1 3.78Å; V320-I385 HydrophobicContact CG1-CG1 4.36Å
321	L	86.4	Confident	81.8	Confident	43 Å²	43	74.4 Å²	74.4	23%	0.225	42%	0.42	C	S	.	.	H	α-helix	trans	-96.3	-10.3	-175.5	-65.5	174.9	0	0	0	113.3	I317 P328 V333 K384 I385	I317-L321 HydrophobicContact CG2-CD1 4.35Å; I317-L321 WeakPolarHBondContact O-CB 3.44Å; I317-L321 PolarHBondContact O-N 3.24Å; L321-P328 HydrophobicContact CD2-CB 3.88Å; L321-P328 HydrophobicContact CD2-CG 4.49Å; L321-V333 HydrophobicContact CD2-CG2 4.23Å; L321-K384 HydrophobicContact CD1-CB 4Å; L321-I385 HydrophobicContact CD2-CG1 4.08Å; L321-I385 HydrophobicContact CG-CG1 4.49Å
322	G	83.3	Confident	82.1	Confident	34 Å²	34	71 Å²	71	35%	0.351	41%	0.407	S	S	.	.			trans	77.6	-168.5	-176.4	0	0	0	0	0	113.4	R318	R318-G322 WeakPolarHBondContact O-CA 3.4Å; R318-G322 PolarHBondContact O-N 2.92Å
323	D	75.3	Confident	82.6	Confident	122 Å²	122	69.7 Å²	69.7	65%	0.652	40%	0.398	S	S	*	.	S	Bend	trans	-71.9	148.9	175.8	-71.8	-33.8	0	0	0	111.7	G325 S326	D323-G325 PolarHBondContact O-N 3.19Å; D323-S326 PolarHBondContact O-N 3.4Å; D323-S326 PolarHBondContact O-OG 2.91Å; D323-S326 VanDerWaalsContact O-OG 3.09Å
324	H	63.2	Low	83.3	Confident	194 Å²	194	65.9 Å²	65.9	90%	0.898	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	121.3	-177.6	-74.8	-66	0	0	0	112.3
325	G	62.8	Low	83.9	Confident	84 Å²	84	70.7 Å²	70.7	87%	0.866	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.6	-10.7	177.3	0	0	0	0	0	114.8	D323	D323-G325 PolarHBondContact O-N 3.19Å
326	S	66.1	Low	84.3	Confident	73 Å²	73	68.4 Å²	68.4	51%	0.51	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-73.6	128.5	173.3	-51.7	0	0	0	0	110.4	D323 P328	D323-S326 PolarHBondContact O-N 3.4Å; D323-S326 PolarHBondContact O-OG 2.91Å; D323-S326 VanDerWaalsContact O-OG 3.09Å; S326-P328 WeakPolarHBondContact O-CD 3.37Å
327	Q	70.1	Confident	84.7	Confident	133 Å²	133	68.2 Å²	68.2	62%	0.621	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-67.8	119	170.1	-88.2	-76	-28	0	0	109	S329	Q327-S329 PolarHBondContact O-N 3.36Å
328	P	78.3	Confident	85.1	Confident	46 Å²	46	68.3 Å²	68.3	30%	0.299	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-68.7	118.8	-176.8	26.5	-31.9	0	0	0	109.9	L321 S326 V333	L321-P328 HydrophobicContact CD2-CB 3.88Å; L321-P328 HydrophobicContact CD2-CG 4.49Å; S326-P328 WeakPolarHBondContact O-CD 3.37Å; P328-V333 HydrophobicContact CB-CG2 4.03Å
329	S	87.2	Confident	85.5	Confident	34 Å²	34	63 Å²	63	24%	0.238	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-95.6	150.2	174.3	76.7	0	0	0	0	111	Q327 S331 N332 V333	Q327-S329 PolarHBondContact O-N 3.36Å; S329-S331 VanDerWaalsContact C-N 3.25Å; S329-S331 PolarHBondContact O-N 2.9Å; S329-S331 PolarHBondContact OG-OG 2.85Å; S329-N332 PolarHBondContact O-N 2.98Å; S329-N332 VanDerWaalsContact O-N 3.12Å; S329-N332 WeakPolarHBondContact OG-CB 3.41Å; S329-N332 PolarHBondContact OG-N 3.33Å; S329-N332 PolarHBondContact OG-ND2 3.48Å; S329-N332 VanDerWaalsContact OG-ND2 3.16Å; S329-V333 WeakPolarHBondContact O-CG2 3.27Å; S329-V333 PolarHBondContact O-N 3.13Å
330	P	91.8	Very high	85.8	Confident	35 Å²	35	59.3 Å²	59.3	23%	0.227	35%	0.353	C	S	.	.	H	α-helix	trans	-58.9	-37	-178.1	-19	24.8	0	0	0	113.4	A334 L404 R407 M408 V411	P330-A334 VanDerWaalsContact O-CB 3.23Å; P330-A334 WeakPolarHBondContact O-CB 3.43Å; P330-A334 PolarHBondContact O-N 3.41Å; P330-L404 HydrophobicContact CG-CD1 4.35Å; P330-R407 HydrophobicContact CB-CB 4.34Å; P330-R407 HydrophobicContact CG-CB 3.9Å; P330-M408 HydrophobicContact CB-CE 3.45Å; P330-M408 VanDerWaalsContact CB-CE 3.45Å; P330-M408 HydrophobicContact CG-CE 3.31Å; P330-V411 HydrophobicContact CB-CG2 4.17Å
331	S	92.1	Very high	86.1	Confident	81 Å²	81	59.4 Å²	59.4	57%	0.566	35%	0.353	S	S	*	.	H	α-helix	trans	-67.6	-39.9	178.3	57.5	0	0	0	0	112.6	S329 R335	S329-S331 VanDerWaalsContact C-N 3.25Å; S329-S331 PolarHBondContact O-N 2.9Å; S329-S331 PolarHBondContact OG-OG 2.85Å; S331-R335 PolarHBondContact O-N 3.43Å; S331-R335 VanDerWaalsContact O-N 3.13Å
332	N	90.6	Very high	86.6	Confident	78 Å²	78	63.9 Å²	63.9	42%	0.417	37%	0.371	S	S	.	.	H	α-helix	trans	-69.4	-44.9	179.2	-72.2	-14.8	0	0	0	110.7	S329 R335 G336	S329-N332 PolarHBondContact O-N 2.98Å; S329-N332 VanDerWaalsContact O-N 3.12Å; S329-N332 WeakPolarHBondContact OG-CB 3.41Å; S329-N332 PolarHBondContact OG-N 3.33Å; S329-N332 PolarHBondContact OG-ND2 3.48Å; S329-N332 VanDerWaalsContact OG-ND2 3.16Å; N332-R335 PolarHBondContact O-N 3.07Å; N332-G336 PolarHBondContact O-N 2.85Å
333	V	93.9	Very high	87.2	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.006	37%	0.372	C	S	.	.	H	α-helix	trans	-62.3	-43.4	175.9	173.8	0	0	0	0	110.8	V320 L321 P328 S329 R335 G336 L337 I385 M408 V411	V320-V333 HydrophobicContact CG1-CB 4.48Å; V320-V333 HydrophobicContact CG1-CG1 3.95Å; L321-V333 HydrophobicContact CD2-CG2 4.23Å; P328-V333 HydrophobicContact CB-CG2 4.03Å; S329-V333 WeakPolarHBondContact O-CG2 3.27Å; S329-V333 PolarHBondContact O-N 3.13Å; V333-R335 VanDerWaalsContact C-N 3.35Å; V333-R335 PolarHBondContact O-N 3.01Å; V333-G336 PolarHBondContact O-N 3.01Å; V333-L337 HydrophobicContact CG1-CD1 3.91Å; V333-L337 HydrophobicContact CG1-CG 4.17Å; V333-L337 WeakPolarHBondContact O-CB 3.35Å; V333-L337 WeakPolarHBondContact O-CG 3.48Å; V333-L337 PolarHBondContact O-N 3Å; V333-I385 HydrophobicContact CG1-CD1 4.06Å; V333-I385 HydrophobicContact CG1-CG1 4.47Å; V333-I385 HydrophobicContact CG1-CG2 4.13Å; V333-M408 HydrophobicContact CB-SD 4.18Å; V333-M408 HydrophobicContact CG1-SD 4.36Å; V333-M408 HydrophobicContact CG2-SD 3.83Å; V333-V411 HydrophobicContact CG1-CG1 4.31Å
334	A	95.7	Very high	88.1	Confident	15 Å²	15	60.4 Å²	60.4	12%	0.124	34%	0.341	C	S	.	.	H	α-helix	trans	-58.1	-46.3	177	0	0	0	0	0	112.3	P330 S338 V411	P330-A334 VanDerWaalsContact O-CB 3.23Å; P330-A334 WeakPolarHBondContact O-CB 3.43Å; P330-A334 PolarHBondContact O-N 3.41Å; A334-S338 WeakPolarHBondContact O-CB 3.45Å; A334-S338 PolarHBondContact O-N 3.3Å; A334-S338 PolarHBondContact O-OG 3.42Å; A334-V411 VanDerWaalsContact CA-CG1 3.43Å; A334-V411 HydrophobicContact CB-CG1 3.51Å; A334-V411 HydrophobicContact CB-CG2 4.4Å
335	R	95	Very high	89.7	Confident	174 Å²	174	51.3 Å²	51.3	66%	0.657	30%	0.299	S	S	*	.	H	α-helix	trans	-65.9	-43.9	177.8	-178.6	178.4	61.6	-177.9	-3.7	111.6	S331 N332 V333 S338 A339	S331-R335 PolarHBondContact O-N 3.43Å; S331-R335 VanDerWaalsContact O-N 3.13Å; N332-R335 PolarHBondContact O-N 3.07Å; V333-R335 VanDerWaalsContact C-N 3.35Å; V333-R335 PolarHBondContact O-N 3.01Å; R335-S338 PolarHBondContact O-N 3.36Å; R335-A339 PolarHBondContact O-N 3.01Å
336	G	94.9	Very high	91.2	Very high	4 Å²	4	50 Å²	50	4%	0.041	27%	0.273	C	S	.	.	H	α-helix	trans	-61.8	-48	178	0	0	0	0	0	112.2	N332 V333 S338 A339 L340	N332-G336 PolarHBondContact O-N 2.85Å; V333-G336 PolarHBondContact O-N 3.01Å; G336-S338 VanDerWaalsContact C-N 3.34Å; G336-S338 PolarHBondContact O-N 2.91Å; G336-A339 PolarHBondContact O-N 3.06Å; G336-L340 WeakPolarHBondContact O-CB 3.42Å; G336-L340 PolarHBondContact O-N 2.8Å
337	L	96.9	Very high	92.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.4	-42.6	175	-74.7	177.9	0	0	0	111.6	V320 V333 A339 L340 F341 I381 I385 V411 A412 R415	V320-L337 HydrophobicContact CG1-CD2 4Å; V320-L337 HydrophobicContact CG1-CG 3.93Å; V320-L337 HydrophobicContact CG2-CD2 4.12Å; V333-L337 HydrophobicContact CG1-CD1 3.91Å; V333-L337 HydrophobicContact CG1-CG 4.17Å; V333-L337 WeakPolarHBondContact O-CB 3.35Å; V333-L337 WeakPolarHBondContact O-CG 3.48Å; V333-L337 PolarHBondContact O-N 3Å; L337-A339 VanDerWaalsContact C-N 3.31Å; L337-A339 PolarHBondContact O-N 3.39Å; L337-L340 PolarHBondContact O-N 2.82Å; L337-F341 HydrophobicContact CB-CD2 4.46Å; L337-F341 HydrophobicContact CB-CE2 4.27Å; L337-F341 HydrophobicContact CD2-CE1 4.15Å; L337-F341 HydrophobicContact CD2-CE2 4.3Å; L337-F341 HydrophobicContact CD2-CZ 3.84Å; L337-F341 VanDerWaalsContact O-CB 3.22Å; L337-F341 WeakPolarHBondContact O-CB 3.39Å; L337-F341 WeakPolarHBondContact O-CG 3.38Å; L337-F341 PolarHBondContact O-N 3.39Å; L337-I381 HydrophobicContact CD2-CG1 4.47Å; L337-I381 HydrophobicContact CD2-CG2 4.41Å; L337-I385 HydrophobicContact CD1-CD1 4.21Å; L337-I385 HydrophobicContact CD2-CD1 3.85Å; L337-I385 HydrophobicContact CG-CD1 4.25Å; L337-V411 HydrophobicContact CD1-CG1 4.35Å; L337-A412 HydrophobicContact CD1-CB 4.34Å; L337-R415 HydrophobicContact CB-CB 4.08Å; L337-R415 HydrophobicContact CB-CG 4.16Å; L337-R415 HydrophobicContact CD1-CB 4.25Å; L337-R415 HydrophobicContact CD1-CG 4.45Å
338	S	97	Very high	93.8	Very high	45 Å²	45	41.8 Å²	41.8	32%	0.315	23%	0.228	S	C	.	.	H	α-helix	trans	-60.4	-41.7	176.8	-56.5	0	0	0	0	112	A334 R335 G336 K342 R415	A334-S338 WeakPolarHBondContact O-CB 3.45Å; A334-S338 PolarHBondContact O-N 3.3Å; A334-S338 PolarHBondContact O-OG 3.42Å; R335-S338 PolarHBondContact O-N 3.36Å; G336-S338 VanDerWaalsContact C-N 3.34Å; G336-S338 PolarHBondContact O-N 2.91Å; S338-K342 VanDerWaalsContact O-CB 3.27Å; S338-K342 WeakPolarHBondContact O-CB 3.36Å; S338-K342 PolarHBondContact O-N 2.77Å; S338-K342 VanDerWaalsContact O-N 3.07Å; S338-R415 WeakPolarHBondContact OG-CD 3.42Å; S338-R415 PolarHBondContact OG-NE 3.17Å
339	A	96.2	Very high	94.6	Very high	45 Å²	45	45.3 Å²	45.3	37%	0.372	24%	0.236	S	C	.	.	H	α-helix	trans	-66.9	-46.4	177	0	0	0	0	0	111.7	L319 R335 G336 L337 K342 E343	L319-A339 HydrophobicContact CD1-CB 4.45Å; L319-A339 HydrophobicContact CD2-CB 4.19Å; R335-A339 PolarHBondContact O-N 3.01Å; G336-A339 PolarHBondContact O-N 3.06Å; L337-A339 VanDerWaalsContact C-N 3.31Å; L337-A339 PolarHBondContact O-N 3.39Å; A339-K342 PolarHBondContact O-N 3.16Å; A339-E343 PolarHBondContact O-N 3.04Å
340	L	95	Very high	94.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-49.4	177.5	176	58.2	0	0	0	111.6	D316 L319 V320 G336 L337 K342 E343 I344 I381	D316-L340 HydrophobicContact CB-CD1 3.94Å; D316-L340 HydrophobicContact CB-CD2 4.06Å; D316-L340 WeakPolarHBondContact OD1-CD1 3.48Å; L319-L340 HydrophobicContact CD2-CB 4.03Å; V320-L340 HydrophobicContact CG2-CB 4.26Å; V320-L340 HydrophobicContact CG2-CD2 3.86Å; G336-L340 WeakPolarHBondContact O-CB 3.42Å; G336-L340 PolarHBondContact O-N 2.8Å; L337-L340 PolarHBondContact O-N 2.82Å; L340-K342 VanDerWaalsContact C-N 3.3Å; L340-K342 PolarHBondContact O-N 3.11Å; L340-E343 WeakPolarHBondContact O-CB 3.49Å; L340-E343 PolarHBondContact O-N 2.98Å; L340-E343 VanDerWaalsContact O-N 3.13Å; L340-I344 HydrophobicContact CD1-CD1 4.01Å; L340-I344 HydrophobicContact CD1-CG1 4.2Å; L340-I344 HydrophobicContact CG-CD1 3.96Å; L340-I344 WeakPolarHBondContact O-CG1 3.49Å; L340-I344 PolarHBondContact O-N 2.63Å; L340-I381 HydrophobicContact CD2-CB 4.44Å; L340-I381 HydrophobicContact CD2-CG1 4.22Å; L340-I381 HydrophobicContact CD2-CG2 4.13Å
341	F	97.3	Very high	94.9	Very high	7 Å²	7	50.2 Å²	50.2	3%	0.031	25%	0.25	C	C	.	.	H	α-helix	trans	-67.1	-33.2	-177.8	-69.2	-9	0	0	0	112.2	L337 I344 T345 V378 R415 L419	L337-F341 HydrophobicContact CB-CD2 4.46Å; L337-F341 HydrophobicContact CB-CE2 4.27Å; L337-F341 HydrophobicContact CD2-CE1 4.15Å; L337-F341 HydrophobicContact CD2-CE2 4.3Å; L337-F341 HydrophobicContact CD2-CZ 3.84Å; L337-F341 VanDerWaalsContact O-CB 3.22Å; L337-F341 WeakPolarHBondContact O-CB 3.39Å; L337-F341 WeakPolarHBondContact O-CG 3.38Å; L337-F341 PolarHBondContact O-N 3.39Å; F341-I344 HydrophobicContact CD1-CD1 4.18Å; F341-T345 WeakPolarHBondContact O-CB 3.45Å; F341-T345 PolarHBondContact O-N 3.48Å; F341-T345 PolarHBondContact O-OG1 3.16Å; F341-V378 HydrophobicContact CE1-CG1 4.24Å; F341-V378 HydrophobicContact CE1-CG2 4.1Å; F341-V378 HydrophobicContact CZ-CG1 4.13Å; F341-R415 HydrophobicContact CD2-CB 3.93Å; F341-R415 WeakPolarHBondContact CD2-O 3.43Å; F341-R415 VanDerWaalsContact CE2-C 3.42Å; F341-R415 HydrophobicContact CE2-CB 3.72Å; F341-R415 WeakPolarHBondContact CE2-O 3.29Å; F341-L419 HydrophobicContact CB-CB 4.14Å; F341-L419 HydrophobicContact CB-CD1 3.97Å; F341-L419 HydrophobicContact CB-CD2 4.43Å; F341-L419 HydrophobicContact CB-CG 4.39Å; F341-L419 HydrophobicContact CD1-CD2 3.71Å; F341-L419 HydrophobicContact CD2-CB 3.78Å; F341-L419 HydrophobicContact CD2-CD2 4.22Å; F341-L419 HydrophobicContact CE1-CD2 3.88Å; F341-L419 HydrophobicContact CE2-CB 4.3Å; F341-L419 HydrophobicContact CE2-CD2 4.39Å; F341-L419 HydrophobicContact CG-CB 3.96Å; F341-L419 HydrophobicContact CG-CD1 4.32Å; F341-L419 HydrophobicContact CG-CD2 3.87Å; F341-L419 HydrophobicContact CG-CG 4.26Å; F341-L419 HydrophobicContact CZ-CD2 4.21Å
342	K	96.4	Very high	95	Very high	137 Å²	137	47 Å²	47	60%	0.596	23%	0.228	S	C	*	.	H	α-helix	trans	-64	-45.6	169.3	-175.2	178.4	179.1	-178.5	0	112	S338 A339 L340 T345 D346	S338-K342 VanDerWaalsContact O-CB 3.27Å; S338-K342 WeakPolarHBondContact O-CB 3.36Å; S338-K342 PolarHBondContact O-N 2.77Å; S338-K342 VanDerWaalsContact O-N 3.07Å; A339-K342 PolarHBondContact O-N 3.16Å; L340-K342 VanDerWaalsContact C-N 3.3Å; L340-K342 PolarHBondContact O-N 3.11Å; K342-T345 PolarHBondContact O-N 2.9Å; K342-D346 WeakPolarHBondContact O-CB 3.43Å; K342-D346 VanDerWaalsContact O-CG 3.3Å; K342-D346 PolarHBondContact O-N 3.27Å
343	E	94.6	Very high	95.1	Very high	80 Å²	80	46.4 Å²	46.4	37%	0.374	23%	0.234	S	C	.	.	H	α-helix	trans	-60.8	-44.9	176.4	-174.1	-162.3	124	0	0	111.7	A339 L340 D346 T347 R377	A339-E343 PolarHBondContact O-N 3.04Å; L340-E343 WeakPolarHBondContact O-CB 3.49Å; L340-E343 PolarHBondContact O-N 2.98Å; L340-E343 VanDerWaalsContact O-N 3.13Å; E343-D346 PolarHBondContact O-N 3.38Å; E343-T347 WeakPolarHBondContact O-CB 3.49Å; E343-T347 PolarHBondContact O-N 3.46Å; E343-T347 PolarHBondContact O-OG1 3.39Å; E343-R377 IonicContact OE1-CZ 3.38Å; E343-R377 IonicContact OE1-NH2 2.74Å; E343-R377 PolarHBondContact OE1-NH2 3.44Å
344	I	94.9	Very high	95	Very high	2 Å²	2	48 Å²	48	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-57.8	-50.7	175.2	-72.2	174.7	0	0	0	109.8	L340 F341 D346 T347 V348 V373 R377 V378 L419	L340-I344 HydrophobicContact CD1-CD1 4.01Å; L340-I344 HydrophobicContact CD1-CG1 4.2Å; L340-I344 HydrophobicContact CG-CD1 3.96Å; L340-I344 WeakPolarHBondContact O-CG1 3.49Å; L340-I344 PolarHBondContact O-N 2.63Å; F341-I344 HydrophobicContact CD1-CD1 4.18Å; I344-D346 VanDerWaalsContact C-N 3.34Å; I344-D346 PolarHBondContact O-N 3.26Å; I344-T347 WeakPolarHBondContact O-CB 3.42Å; I344-T347 PolarHBondContact O-N 3.36Å; I344-T347 VanDerWaalsContact O-N 3.11Å; I344-V348 HydrophobicContact CG2-CG2 4.32Å; I344-V348 WeakPolarHBondContact O-CG2 3.46Å; I344-V348 PolarHBondContact O-N 2.94Å; I344-V373 HydrophobicContact CG2-CG1 3.43Å; I344-V373 VanDerWaalsContact CG2-CG1 3.43Å; I344-R377 HydrophobicContact CD1-CG 4.19Å; I344-V378 HydrophobicContact CD1-CG2 4.42Å; I344-L419 HydrophobicContact CG2-CD1 4.3Å
345	T	96.3	Very high	94.9	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.018	24%	0.238	C	C	.	.	H	α-helix	trans	-60.7	-42.6	180	-57.3	0	0	0	0	111.8	F341 K342 T347 V348 R349 L419 D422 V426	F341-T345 WeakPolarHBondContact O-CB 3.45Å; F341-T345 PolarHBondContact O-N 3.48Å; F341-T345 PolarHBondContact O-OG1 3.16Å; K342-T345 PolarHBondContact O-N 2.9Å; T345-T347 VanDerWaalsContact C-N 3.28Å; T345-T347 PolarHBondContact O-N 3.36Å; T345-V348 PolarHBondContact O-N 2.95Å; T345-R349 WeakPolarHBondContact O-CB 3.48Å; T345-R349 PolarHBondContact O-N 3.03Å; T345-L419 WeakPolarHBondContact OG1-CD1 3.37Å; T345-D422 HydrophobicContact CG2-CB 3.98Å; T345-V426 HydrophobicContact CG2-CG2 3.94Å
346	D	95.8	Very high	94.8	Very high	57 Å²	57	43.5 Å²	43.5	31%	0.305	23%	0.234	S	C	.	.	H	α-helix	trans	-63.6	-35.9	176.3	-73.8	-14	0	0	0	112.1	K342 E343 I344 R349 K350	K342-D346 WeakPolarHBondContact O-CB 3.43Å; K342-D346 VanDerWaalsContact O-CG 3.3Å; K342-D346 PolarHBondContact O-N 3.27Å; E343-D346 PolarHBondContact O-N 3.38Å; I344-D346 VanDerWaalsContact C-N 3.34Å; I344-D346 PolarHBondContact O-N 3.26Å; D346-R349 IonicContact OD1-CZ 2.7Å; D346-R349 IonicContact OD1-NH1 3.13Å; D346-R349 PolarHBondContact OD1-NH1 2.8Å; D346-R349 IonicContact OD1-NH2 3.14Å; D346-K350 WeakPolarHBondContact O-CG 3.41Å; D346-K350 PolarHBondContact O-N 3.1Å
347	T	93.5	Very high	94.7	Very high	33 Å²	33	45.9 Å²	45.9	20%	0.202	25%	0.254	C	S	.	.	H	α-helix	trans	-70.4	-47.9	176.3	-53.1	0	0	0	0	110.7	M306 E343 I344 T345 R349 K350 E351	M306-T347 HydrophobicContact CE-CG2 3.34Å; M306-T347 HydrophobicContact SD-CG2 4.2Å; E343-T347 WeakPolarHBondContact O-CB 3.49Å; E343-T347 PolarHBondContact O-N 3.46Å; E343-T347 PolarHBondContact O-OG1 3.39Å; I344-T347 WeakPolarHBondContact O-CB 3.42Å; I344-T347 PolarHBondContact O-N 3.36Å; I344-T347 VanDerWaalsContact O-N 3.11Å; T345-T347 VanDerWaalsContact C-N 3.28Å; T345-T347 PolarHBondContact O-N 3.36Å; T347-R349 VanDerWaalsContact C-N 3.26Å; T347-R349 PolarHBondContact O-N 2.94Å; T347-K350 PolarHBondContact O-N 2.88Å; T347-K350 VanDerWaalsContact O-N 3.14Å; T347-E351 WeakPolarHBondContact O-CG 3.4Å; T347-E351 PolarHBondContact O-N 3.13Å
348	V	95.6	Very high	94.4	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59	-38.1	175.7	174.7	0	0	0	0	110.9	I344 T345 K350 E351 A352 M366 L369 V370 V373 L423 V426	I344-V348 HydrophobicContact CG2-CG2 4.32Å; I344-V348 WeakPolarHBondContact O-CG2 3.46Å; I344-V348 PolarHBondContact O-N 2.94Å; T345-V348 PolarHBondContact O-N 2.95Å; V348-K350 PolarHBondContact O-N 3.03Å; V348-E351 PolarHBondContact O-N 3.48Å; V348-A352 WeakPolarHBondContact O-CB 3.46Å; V348-A352 PolarHBondContact O-N 2.92Å; V348-M366 HydrophobicContact CG1-CE 3.79Å; V348-L369 HydrophobicContact CG1-CD2 4.34Å; V348-V370 HydrophobicContact CG1-CG2 4.35Å; V348-V373 HydrophobicContact CG2-CG2 4.07Å; V348-L423 HydrophobicContact CB-CD2 4.14Å; V348-L423 HydrophobicContact CG1-CD2 4.05Å; V348-L423 HydrophobicContact CG2-CD2 3.96Å; V348-V426 HydrophobicContact CG1-CG1 4.06Å
349	R	95.6	Very high	94.2	Very high	120 Å²	120	44.4 Å²	44.4	45%	0.453	24%	0.242	S	C	.	.	H	α-helix	trans	-64.5	-39.7	176.5	-167.5	-178.4	-56.3	105.6	1.8	113.2	T345 D346 T347 A352 A353 V426	T345-R349 WeakPolarHBondContact O-CB 3.48Å; T345-R349 PolarHBondContact O-N 3.03Å; D346-R349 IonicContact OD1-CZ 2.7Å; D346-R349 IonicContact OD1-NH1 3.13Å; D346-R349 PolarHBondContact OD1-NH1 2.8Å; D346-R349 IonicContact OD1-NH2 3.14Å; T347-R349 VanDerWaalsContact C-N 3.26Å; T347-R349 PolarHBondContact O-N 2.94Å; R349-A352 PolarHBondContact O-N 2.94Å; R349-A353 PolarHBondContact O-N 2.82Å; R349-V426 HydrophobicContact CB-CG1 4.18Å; R349-V426 HydrophobicContact CB-CG2 4.35Å; R349-V426 HydrophobicContact CG-CG1 4.45Å
350	K	92.7	Very high	93.8	Very high	144 Å²	144	45.4 Å²	45.4	63%	0.626	24%	0.244	S	C	*	.	H	α-helix	trans	-67	-41.2	174.9	-70.4	168	-174.4	168.2	0	111.3	D346 T347 V348 A353 T354	D346-K350 WeakPolarHBondContact O-CG 3.41Å; D346-K350 PolarHBondContact O-N 3.1Å; T347-K350 PolarHBondContact O-N 2.88Å; T347-K350 VanDerWaalsContact O-N 3.14Å; V348-K350 PolarHBondContact O-N 3.03Å; K350-A353 PolarHBondContact O-N 3.24Å; K350-T354 PolarHBondContact O-N 3.39Å; K350-T354 PolarHBondContact O-OG1 2.83Å; K350-T354 VanDerWaalsContact O-OG1 3.09Å
351	E	93	Very high	93.5	Very high	28 Å²	28	48 Å²	48	13%	0.131	26%	0.261	C	S	.	.	H	α-helix	trans	-66.3	-39.9	175.9	-68.1	-59.2	148.9	0	0	111.4	Y300 R304 M306 T347 V348 A353 T354 I355 L369	Y300-E351 PolarHBondContact OH-OE2 3.31Å; R304-E351 WeakPolarHBondContact CD-OE2 3.48Å; R304-E351 IonicContact NH1-OE2 3.44Å; M306-E351 HydrophobicContact CE-CG 3.83Å; T347-E351 WeakPolarHBondContact O-CG 3.4Å; T347-E351 PolarHBondContact O-N 3.13Å; V348-E351 PolarHBondContact O-N 3.48Å; E351-A353 VanDerWaalsContact C-N 3.32Å; E351-A353 PolarHBondContact O-N 3.34Å; E351-T354 CarbonylContact O-C 3.19Å; E351-T354 WeakPolarHBondContact O-CA 3.42Å; E351-T354 WeakPolarHBondContact O-CB 3.27Å; E351-T354 PolarHBondContact O-N 2.93Å; E351-I355 HydrophobicContact CB-CD1 4.36Å; E351-I355 WeakPolarHBondContact O-CB 3.41Å; E351-I355 VanDerWaalsContact O-CG1 3.28Å; E351-I355 WeakPolarHBondContact O-CG1 3.36Å; E351-I355 PolarHBondContact O-N 3.17Å; E351-L369 HydrophobicContact CB-CD2 3.76Å; E351-L369 HydrophobicContact CG-CD2 4.48Å
352	A	94.5	Very high	93.2	Very high	13 Å²	13	49.2 Å²	49.2	11%	0.107	27%	0.269	C	S	.	.	H	α-helix	trans	-57.8	-42.6	177.2	0	0	0	0	0	112.4	V348 R349 T354 I355 T356 M366 V426	V348-A352 WeakPolarHBondContact O-CB 3.46Å; V348-A352 PolarHBondContact O-N 2.92Å; R349-A352 PolarHBondContact O-N 2.94Å; A352-T354 VanDerWaalsContact C-N 3.31Å; A352-T354 PolarHBondContact O-N 3.36Å; A352-I355 PolarHBondContact O-N 2.97Å; A352-T356 WeakPolarHBondContact O-CB 3.44Å; A352-T356 PolarHBondContact O-N 2.79Å; A352-T356 PolarHBondContact O-OG1 3.17Å; A352-M366 HydrophobicContact CB-CE 3.64Å; A352-M366 HydrophobicContact CB-SD 3.76Å; A352-V426 HydrophobicContact CB-CG1 4.1Å
353	A	92.7	Very high	93	Very high	66 Å²	66	47.4 Å²	47.4	55%	0.545	27%	0.266	S	S	.	.	H	α-helix	trans	-62.6	-39.8	175.1	0	0	0	0	0	111.9	R349 K350 E351 A357	R349-A353 PolarHBondContact O-N 2.82Å; K350-A353 PolarHBondContact O-N 3.24Å; E351-A353 VanDerWaalsContact C-N 3.32Å; E351-A353 PolarHBondContact O-N 3.34Å; A353-A357 PolarHBondContact O-N 2.86Å
354	T	91.9	Very high	92.8	Very high	36 Å²	36	48.1 Å²	48.1	22%	0.221	27%	0.269	C	S	.	.	H	α-helix	trans	-69	-45.7	177.9	-53.2	0	0	0	0	111.2	L277 Y300 K350 E351 A352 T356 A357 V358	L277-T354 HydrophobicContact CD2-CG2 3.85Å; Y300-T354 WeakPolarHBondContact OH-CG2 3.35Å; K350-T354 PolarHBondContact O-N 3.39Å; K350-T354 PolarHBondContact O-OG1 2.83Å; K350-T354 VanDerWaalsContact O-OG1 3.09Å; E351-T354 CarbonylContact O-C 3.19Å; E351-T354 WeakPolarHBondContact O-CA 3.42Å; E351-T354 WeakPolarHBondContact O-CB 3.27Å; E351-T354 PolarHBondContact O-N 2.93Å; A352-T354 VanDerWaalsContact C-N 3.31Å; A352-T354 PolarHBondContact O-N 3.36Å; T354-T356 VanDerWaalsContact C-N 3.33Å; T354-T356 PolarHBondContact O-N 3.1Å; T354-A357 PolarHBondContact O-N 3.49Å; T354-A357 VanDerWaalsContact O-N 3.14Å; T354-V358 HydrophobicContact CG2-CG2 4.4Å; T354-V358 WeakPolarHBondContact O-CB 3.48Å; T354-V358 WeakPolarHBondContact O-CG2 3.27Å; T354-V358 PolarHBondContact O-N 3.29Å
355	I	93.4	Very high	92.7	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.2	-45.1	179.2	-73.6	165.6	0	0	0	110.5	Y300 E351 A352 A357 V358 F359 P362 V365 M366 L369	Y300-I355 HydrophobicContact CD1-CG1 4.43Å; Y300-I355 HydrophobicContact CE1-CD1 4.1Å; Y300-I355 HydrophobicContact CE1-CG1 3.73Å; E351-I355 HydrophobicContact CB-CD1 4.36Å; E351-I355 WeakPolarHBondContact O-CB 3.41Å; E351-I355 VanDerWaalsContact O-CG1 3.28Å; E351-I355 WeakPolarHBondContact O-CG1 3.36Å; E351-I355 PolarHBondContact O-N 3.17Å; A352-I355 PolarHBondContact O-N 2.97Å; I355-A357 PolarHBondContact O-N 3.14Å; I355-V358 PolarHBondContact O-N 2.98Å; I355-F359 HydrophobicContact CB-CD2 4.45Å; I355-F359 HydrophobicContact CG1-CD2 4.44Å; I355-F359 HydrophobicContact CG2-CD2 4.22Å; I355-F359 PolarHBondContact O-N 3.31Å; I355-P362 HydrophobicContact CG2-CB 4.02Å; I355-V365 HydrophobicContact CD1-CB 4.43Å; I355-V365 HydrophobicContact CD1-CG1 3.75Å; I355-V365 HydrophobicContact CG1-CG1 3.88Å; I355-V365 HydrophobicContact CG2-CB 3.66Å; I355-V365 HydrophobicContact CG2-CG1 3.95Å; I355-V365 HydrophobicContact CG2-CG2 4.18Å; I355-M366 HydrophobicContact CB-SD 4.37Å; I355-M366 HydrophobicContact CD1-SD 3.47Å; I355-M366 WeakPolarHBondContact CD1-SD 3.23Å; I355-M366 HydrophobicContact CG2-CG 4.25Å; I355-M366 HydrophobicContact CG2-SD 4.35Å; I355-L369 HydrophobicContact CD1-CD2 3.84Å
356	T	93.2	Very high	92.7	Very high	94 Å²	94	48.3 Å²	48.3	58%	0.577	27%	0.27	S	S	*	.	H	α-helix	trans	-61.9	-32.8	178	-56	0	0	0	0	112.4	A352 T354	A352-T356 WeakPolarHBondContact O-CB 3.44Å; A352-T356 PolarHBondContact O-N 2.79Å; A352-T356 PolarHBondContact O-OG1 3.17Å; T354-T356 VanDerWaalsContact C-N 3.33Å; T354-T356 PolarHBondContact O-N 3.1Å
357	A	92.4	Very high	92.7	Very high	54 Å²	54	46.5 Å²	46.5	45%	0.446	26%	0.263	S	S	.	.	H	α-helix	trans	-80	-28.3	178.6	0	0	0	0	0	113.4	L277 A353 T354 I355	L277-A357 HydrophobicContact CD1-CB 4.49Å; A353-A357 PolarHBondContact O-N 2.86Å; T354-A357 PolarHBondContact O-N 3.49Å; T354-A357 VanDerWaalsContact O-N 3.14Å; I355-A357 PolarHBondContact O-N 3.14Å
358	V	91.4	Very high	92.7	Very high	1 Å²	1	47 Å²	47	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-98.2	-51.2	-170.9	170	0	0	0	0	112.1	F268 L277 M280 S281 A284 T354 I355	F268-V358 HydrophobicContact CE2-CG1 3.85Å; F268-V358 HydrophobicContact CZ-CG1 4.33Å; L277-V358 HydrophobicContact CD2-CG2 4.18Å; M280-V358 HydrophobicContact CB-CG1 3.84Å; M280-V358 HydrophobicContact CB-CG2 3.86Å; M280-V358 HydrophobicContact CE-CG1 4.36Å; M280-V358 HydrophobicContact CE-CG2 4.13Å; M280-V358 HydrophobicContact SD-CG2 4.37Å; S281-V358 WeakPolarHBondContact CA-O 3.38Å; S281-V358 PolarHBondContact OG-O 3.26Å; S281-V358 VanDerWaalsContact OG-O 3.06Å; A284-V358 HydrophobicContact CB-CG1 3.87Å; T354-V358 HydrophobicContact CG2-CG2 4.4Å; T354-V358 WeakPolarHBondContact O-CB 3.48Å; T354-V358 WeakPolarHBondContact O-CG2 3.27Å; T354-V358 PolarHBondContact O-N 3.29Å; I355-V358 PolarHBondContact O-N 2.98Å
359	F	91.4	Very high	92.7	Very high	13 Å²	13	47 Å²	47	6%	0.057	26%	0.264	C	S	.	.			trans	-92.6	140.2	-166	-69.7	-87.9	0	0	0	112.9	F268 A284 M297 Y300 I355 T361 P362 V365	F268-F359 HydrophobicContact CE2-CZ 4.23Å; F268-F359 HydrophobicContact CZ-CE1 4.46Å; F268-F359 HydrophobicContact CZ-CE2 4.29Å; F268-F359 AromaticContact CZ-CZ 3.69Å; F268-F359 HydrophobicContact CZ-CZ 3.69Å; A284-F359 HydrophobicContact CB-CD1 3.87Å; A284-F359 HydrophobicContact CB-CE1 4.03Å; A284-F359 HydrophobicContact CB-CG 4.45Å; M297-F359 HydrophobicContact CG-CD1 4.24Å; M297-F359 HydrophobicContact CG-CE1 4.22Å; Y300-F359 AromaticContact CD1-CE2 3.88Å; Y300-F359 HydrophobicContact CD1-CE2 3.88Å; Y300-F359 HydrophobicContact CD1-CZ 4.14Å; Y300-F359 HydrophobicContact CD2-CE2 4.11Å; Y300-F359 HydrophobicContact CD2-CZ 4.13Å; Y300-F359 HydrophobicContact CE1-CE2 4.27Å; Y300-F359 HydrophobicContact CE2-CE2 4.43Å; Y300-F359 AromaticContact CG-CE2 3.81Å; Y300-F359 HydrophobicContact CG-CE2 3.81Å; Y300-F359 AromaticContact CG-CZ 3.7Å; Y300-F359 HydrophobicContact CG-CZ 3.7Å; I355-F359 HydrophobicContact CB-CD2 4.45Å; I355-F359 HydrophobicContact CG1-CD2 4.44Å; I355-F359 HydrophobicContact CG2-CD2 4.22Å; I355-F359 PolarHBondContact O-N 3.31Å; F359-T361 VanDerWaalsContact C-N 3.29Å; F359-T361 PolarHBondContact O-N 3.17Å; F359-P362 WeakPolarHBondContact O-CD 3.15Å; F359-V365 HydrophobicContact CB-CG2 3.84Å; F359-V365 HydrophobicContact CD1-CG2 3.86Å; F359-V365 HydrophobicContact CD2-CG1 4.35Å; F359-V365 HydrophobicContact CD2-CG2 4.01Å; F359-V365 HydrophobicContact CE1-CG2 4.42Å; F359-V365 HydrophobicContact CE2-CG1 4.32Å; F359-V365 HydrophobicContact CG-CG2 3.63Å
360	P	88.3	Confident	92.7	Very high	66 Å²	66	41.2 Å²	41.2	43%	0.429	24%	0.242	S	C	.	.	S	Bend	trans	-64.2	-30	174.6	-22.1	33.4	0	0	0	114.3	K285 P362	K285-P360 HydrophobicContact CG-CG 3.82Å; P360-P362 VanDerWaalsContact C-CD 3.48Å; P360-P362 WeakPolarHBondContact O-CD 3.38Å
361	T	88.3	Confident	92.8	Very high	55 Å²	55	38 Å²	38	34%	0.337	23%	0.229	S	C	.	.			trans	-120	72.3	179.5	49.3	0	0	0	0	111.4	F359 N363 E364	F359-T361 VanDerWaalsContact C-N 3.29Å; F359-T361 PolarHBondContact O-N 3.17Å; T361-N363 VanDerWaalsContact C-N 3.25Å; T361-N363 PolarHBondContact O-N 3.33Å; T361-N363 VanDerWaalsContact O-N 3.16Å; T361-E364 VanDerWaalsContact CB-OE2 3.26Å; T361-E364 WeakPolarHBondContact CB-OE2 3.22Å; T361-E364 PolarHBondContact O-N 2.8Å; T361-E364 PolarHBondContact OG1-OE2 2.71Å
362	P	91.3	Very high	92.9	Very high	32 Å²	32	39.9 Å²	39.9	21%	0.208	24%	0.235	C	C	.	.	H	α-helix	trans	-55.5	-37.2	-175.2	-27.1	35.9	0	0	0	114.1	I355 F359 P360 E364 V365 M366	I355-P362 HydrophobicContact CG2-CB 4.02Å; F359-P362 WeakPolarHBondContact O-CD 3.15Å; P360-P362 VanDerWaalsContact C-CD 3.48Å; P360-P362 WeakPolarHBondContact O-CD 3.38Å; P362-E364 VanDerWaalsContact C-N 3.34Å; P362-E364 PolarHBondContact O-N 2.6Å; P362-V365 PolarHBondContact O-N 2.94Å; P362-M366 WeakPolarHBondContact O-CB 3.18Å; P362-M366 VanDerWaalsContact O-CG 3.31Å; P362-M366 WeakPolarHBondContact O-CG 3.22Å; P362-M366 PolarHBondContact O-N 3.38Å
363	N	92.6	Very high	92.9	Very high	99 Å²	99	39.3 Å²	39.3	53%	0.529	23%	0.23	S	C	.	.	H	α-helix	trans	-62.3	-38.8	-177.5	-70	-10.1	0	0	0	112.8	T361 M366 A367	T361-N363 VanDerWaalsContact C-N 3.25Å; T361-N363 PolarHBondContact O-N 3.33Å; T361-N363 VanDerWaalsContact O-N 3.16Å; N363-M366 PolarHBondContact O-N 2.66Å; N363-A367 WeakPolarHBondContact O-CB 3.47Å; N363-A367 PolarHBondContact O-N 3.28Å
364	E	91.4	Very high	93	Very high	95 Å²	95	36.1 Å²	36.1	44%	0.444	20%	0.204	S	C	.	.	H	α-helix	trans	-67.1	-42.3	178.8	-65.3	176.8	162	0	0	110.8	M297 T361 P362 A367 I368	M297-E364 HydrophobicContact CE-CB 4.34Å; M297-E364 HydrophobicContact SD-CB 3.85Å; T361-E364 VanDerWaalsContact CB-OE2 3.26Å; T361-E364 WeakPolarHBondContact CB-OE2 3.22Å; T361-E364 PolarHBondContact O-N 2.8Å; T361-E364 PolarHBondContact OG1-OE2 2.71Å; P362-E364 VanDerWaalsContact C-N 3.34Å; P362-E364 PolarHBondContact O-N 2.6Å; E364-A367 PolarHBondContact O-N 2.74Å; E364-I368 WeakPolarHBondContact O-CG1 3.1Å; E364-I368 PolarHBondContact O-N 3.27Å; E364-I368 VanDerWaalsContact O-N 3.14Å
365	V	92.6	Very high	93.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.2	-41.6	176.4	-168.6	0	0	0	0	111.1	M297 Y300 V301 I355 F359 P362 A367 I368 L369	M297-V365 HydrophobicContact CB-CG2 4.19Å; M297-V365 HydrophobicContact CG-CG2 3.62Å; M297-V365 HydrophobicContact SD-CG2 3.5Å; M297-V365 VanDerWaalsContact SD-CG2 3.5Å; Y300-V365 HydrophobicContact CD1-CG1 4.29Å; V301-V365 HydrophobicContact CG2-CG1 4.23Å; I355-V365 HydrophobicContact CD1-CB 4.43Å; I355-V365 HydrophobicContact CD1-CG1 3.75Å; I355-V365 HydrophobicContact CG1-CG1 3.88Å; I355-V365 HydrophobicContact CG2-CB 3.66Å; I355-V365 HydrophobicContact CG2-CG1 3.95Å; I355-V365 HydrophobicContact CG2-CG2 4.18Å; F359-V365 HydrophobicContact CB-CG2 3.84Å; F359-V365 HydrophobicContact CD1-CG2 3.86Å; F359-V365 HydrophobicContact CD2-CG1 4.35Å; F359-V365 HydrophobicContact CD2-CG2 4.01Å; F359-V365 HydrophobicContact CE1-CG2 4.42Å; F359-V365 HydrophobicContact CE2-CG1 4.32Å; F359-V365 HydrophobicContact CG-CG2 3.63Å; P362-V365 PolarHBondContact O-N 2.94Å; V365-A367 VanDerWaalsContact C-N 3.34Å; V365-I368 PolarHBondContact O-N 3.1Å; V365-L369 WeakPolarHBondContact O-CB 3.43Å; V365-L369 PolarHBondContact O-N 3.39Å
366	M	95	Very high	93	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.039	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-40.2	177.1	-74.2	-55.1	-64.6	0	0	111.7	V348 A352 I355 P362 N363 L369 V370 G427	V348-M366 HydrophobicContact CG1-CE 3.79Å; A352-M366 HydrophobicContact CB-CE 3.64Å; A352-M366 HydrophobicContact CB-SD 3.76Å; I355-M366 HydrophobicContact CB-SD 4.37Å; I355-M366 HydrophobicContact CD1-SD 3.47Å; I355-M366 WeakPolarHBondContact CD1-SD 3.23Å; I355-M366 HydrophobicContact CG2-CG 4.25Å; I355-M366 HydrophobicContact CG2-SD 4.35Å; P362-M366 WeakPolarHBondContact O-CB 3.18Å; P362-M366 VanDerWaalsContact O-CG 3.31Å; P362-M366 WeakPolarHBondContact O-CG 3.22Å; P362-M366 PolarHBondContact O-N 3.38Å; N363-M366 PolarHBondContact O-N 2.66Å; M366-L369 HydrophobicContact CE-CD2 4.38Å; M366-L369 PolarHBondContact O-N 3.19Å; M366-L369 HydrophobicContact SD-CD2 4.18Å; M366-V370 HydrophobicContact CE-CG2 4.5Å; M366-V370 WeakPolarHBondContact O-CB 3.48Å; M366-V370 VanDerWaalsContact O-CG2 3.32Å; M366-V370 WeakPolarHBondContact O-CG2 3.47Å; M366-V370 PolarHBondContact O-N 2.72Å; M366-G427 WeakPolarHBondContact CE-O 3.37Å
367	A	95.3	Very high	92.9	Very high	20 Å²	20	38.9 Å²	38.9	17%	0.165	21%	0.207	C	C	.	.	H	α-helix	trans	-59.5	-47.4	174.3	0	0	0	0	0	111.4	N363 E364 V365 L369 V370 Q371 C428 L431	N363-A367 WeakPolarHBondContact O-CB 3.47Å; N363-A367 PolarHBondContact O-N 3.28Å; E364-A367 PolarHBondContact O-N 2.74Å; V365-A367 VanDerWaalsContact C-N 3.34Å; A367-L369 PolarHBondContact O-N 3.14Å; A367-V370 PolarHBondContact O-N 3.34Å; A367-Q371 WeakPolarHBondContact O-CB 3.33Å; A367-Q371 PolarHBondContact O-N 3.02Å; A367-C428 WeakPolarHBondContact CA-O 3.48Å; A367-L431 HydrophobicContact CB-CB 4.1Å
368	I	94	Very high	93	Very high	42 Å²	42	36.3 Å²	36.3	22%	0.215	19%	0.186	C	C	.	.	H	α-helix	trans	-62.4	-42.7	177.1	-62.6	163.6	0	0	0	111.2	M297 V301 E364 V365 R372	M297-I368 HydrophobicContact CB-CD1 3.83Å; M297-I368 HydrophobicContact SD-CD1 4.5Å; V301-I368 HydrophobicContact CB-CG2 4.23Å; V301-I368 HydrophobicContact CG1-CG2 4.29Å; V301-I368 HydrophobicContact CG2-CB 4.46Å; V301-I368 HydrophobicContact CG2-CG2 4.02Å; E364-I368 WeakPolarHBondContact O-CG1 3.1Å; E364-I368 PolarHBondContact O-N 3.27Å; E364-I368 VanDerWaalsContact O-N 3.14Å; V365-I368 PolarHBondContact O-N 3.1Å; I368-R372 WeakPolarHBondContact O-CB 3.29Å; I368-R372 PolarHBondContact O-N 2.99Å
369	L	95	Very high	93.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.4	-52.3	178.8	177.2	64.1	0	0	0	111.3	V301 M306 F307 V348 E351 I355 V365 M366 A367 R372 V373	V301-L369 HydrophobicContact CG1-CD1 4.09Å; V301-L369 HydrophobicContact CG2-CB 4.11Å; M306-L369 HydrophobicContact CE-CD1 4.49Å; M306-L369 HydrophobicContact SD-CD1 4.43Å; F307-L369 HydrophobicContact CE2-CD1 3.85Å; F307-L369 HydrophobicContact CZ-CD1 4.03Å; V348-L369 HydrophobicContact CG1-CD2 4.34Å; E351-L369 HydrophobicContact CB-CD2 3.76Å; E351-L369 HydrophobicContact CG-CD2 4.48Å; I355-L369 HydrophobicContact CD1-CD2 3.84Å; V365-L369 WeakPolarHBondContact O-CB 3.43Å; V365-L369 PolarHBondContact O-N 3.39Å; M366-L369 HydrophobicContact CE-CD2 4.38Å; M366-L369 PolarHBondContact O-N 3.19Å; M366-L369 HydrophobicContact SD-CD2 4.18Å; A367-L369 PolarHBondContact O-N 3.14Å; L369-R372 PolarHBondContact O-N 2.69Å; L369-V373 WeakPolarHBondContact O-CG2 3.38Å; L369-V373 PolarHBondContact O-N 2.87Å
370	V	96.6	Very high	93.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.2	-42.1	-177.2	172.8	0	0	0	0	111.1	V348 M366 A367 R372 V373 L374 L423 C428 L431 V433	V348-V370 HydrophobicContact CG1-CG2 4.35Å; M366-V370 HydrophobicContact CE-CG2 4.5Å; M366-V370 WeakPolarHBondContact O-CB 3.48Å; M366-V370 VanDerWaalsContact O-CG2 3.32Å; M366-V370 WeakPolarHBondContact O-CG2 3.47Å; M366-V370 PolarHBondContact O-N 2.72Å; A367-V370 PolarHBondContact O-N 3.34Å; V370-R372 VanDerWaalsContact C-N 3.31Å; V370-R372 PolarHBondContact O-N 2.9Å; V370-V373 PolarHBondContact O-N 3.32Å; V370-L374 HydrophobicContact CG1-CD1 4.35Å; V370-L374 PolarHBondContact O-N 3.23Å; V370-L423 HydrophobicContact CG1-CB 4.39Å; V370-L423 HydrophobicContact CG1-CD1 4.14Å; V370-C428 HydrophobicContact CB-CB 4.33Å; V370-C428 HydrophobicContact CG1-CB 4.14Å; V370-C428 HydrophobicContact CG2-CB 4.1Å; V370-L431 HydrophobicContact CB-CD2 3.99Å; V370-L431 HydrophobicContact CG1-CD2 3.74Å; V370-V433 HydrophobicContact CG1-CG2 3.8Å
371	Q	95.7	Very high	93.3	Very high	75 Å²	75	35.2 Å²	35.2	35%	0.35	18%	0.183	S	C	.	.	H	α-helix	trans	-55.3	-48.8	173.7	-179.6	178.8	4.9	0	0	110.6	A367 V373 L374 E375 L431 L436	A367-Q371 WeakPolarHBondContact O-CB 3.33Å; A367-Q371 PolarHBondContact O-N 3.02Å; Q371-V373 PolarHBondContact O-N 2.99Å; Q371-L374 PolarHBondContact O-N 3.45Å; Q371-E375 VanDerWaalsContact CG-CD 3.47Å; Q371-E375 HydrophobicContact CG-CG 4.21Å; Q371-E375 WeakPolarHBondContact CG-OE1 3.36Å; Q371-E375 PolarHBondContact NE2-OE1 3.39Å; Q371-E375 WeakPolarHBondContact O-CB 3.46Å; Q371-E375 WeakPolarHBondContact O-CG 3.22Å; Q371-E375 PolarHBondContact O-N 2.84Å; Q371-L431 HydrophobicContact CB-CD1 4.43Å; Q371-L431 HydrophobicContact CB-CD2 3.97Å; Q371-L436 HydrophobicContact CB-CD2 4.35Å; Q371-L436 HydrophobicContact CG-CD2 4.11Å
372	R	93.7	Very high	93.6	Very high	69 Å²	69	33 Å²	33	26%	0.26	17%	0.169	S	C	.	.	H	α-helix	trans	-67.3	-35.5	-179.4	-163.2	176.4	-175	142.1	-5.1	113.2	V301 F307 I368 L369 V370 L374 Q376	V301-R372 HydrophobicContact CG1-CB 4.25Å; F307-R372 HydrophobicContact CD1-CG 4.05Å; F307-R372 HydrophobicContact CE1-CB 4.12Å; F307-R372 HydrophobicContact CE1-CG 3.75Å; F307-R372 HydrophobicContact CE2-CG 4.49Å; F307-R372 HydrophobicContact CZ-CB 4.01Å; F307-R372 HydrophobicContact CZ-CG 3.99Å; I368-R372 WeakPolarHBondContact O-CB 3.29Å; I368-R372 PolarHBondContact O-N 2.99Å; L369-R372 PolarHBondContact O-N 2.69Å; V370-R372 VanDerWaalsContact C-N 3.31Å; V370-R372 PolarHBondContact O-N 2.9Å; R372-L374 VanDerWaalsContact C-N 3.33Å; R372-Q376 HydrophobicContact CG-CG 4.05Å; R372-Q376 WeakPolarHBondContact O-CB 3.48Å; R372-Q376 PolarHBondContact O-N 3.47Å
373	V	94.9	Very high	93.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	I	π-helix	trans	-57.6	-48.4	172.2	166.4	0	0	0	0	110.3	M306 F307 I344 V348 L369 V370 Q371 R377 V378	M306-V373 HydrophobicContact SD-CG2 4.32Å; F307-V373 HydrophobicContact CE1-CG2 4.19Å; F307-V373 HydrophobicContact CZ-CG2 3.8Å; I344-V373 HydrophobicContact CG2-CG1 3.43Å; I344-V373 VanDerWaalsContact CG2-CG1 3.43Å; V348-V373 HydrophobicContact CG2-CG2 4.07Å; L369-V373 WeakPolarHBondContact O-CG2 3.38Å; L369-V373 PolarHBondContact O-N 2.87Å; V370-V373 PolarHBondContact O-N 3.32Å; Q371-V373 PolarHBondContact O-N 2.99Å; V373-R377 WeakPolarHBondContact O-CB 3.2Å; V373-R377 PolarHBondContact O-N 2.91Å; V373-R377 VanDerWaalsContact O-N 3.09Å; V373-V378 HydrophobicContact CG1-CG2 4.33Å; V373-V378 PolarHBondContact O-N 3.02Å
374	L	95.6	Very high	93.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	I	π-helix	trans	-68	-52.4	-179.6	-71.5	173.3	0	0	0	111.7	V370 Q371 R372 Q376 V378 T379 L419 L423 V433 L436 L440	V370-L374 HydrophobicContact CG1-CD1 4.35Å; V370-L374 PolarHBondContact O-N 3.23Å; Q371-L374 PolarHBondContact O-N 3.45Å; R372-L374 VanDerWaalsContact C-N 3.33Å; L374-Q376 PolarHBondContact O-N 2.64Å; L374-V378 HydrophobicContact CD2-CB 4.38Å; L374-V378 HydrophobicContact CD2-CG2 4.13Å; L374-V378 WeakPolarHBondContact O-CB 3.37Å; L374-T379 PolarHBondContact O-N 2.88Å; L374-T379 PolarHBondContact O-OG1 2.81Å; L374-L419 HydrophobicContact CD2-CD2 4.35Å; L374-L423 HydrophobicContact CD2-CD1 4.36Å; L374-V433 HydrophobicContact CD1-CG1 4.05Å; L374-L436 HydrophobicContact CB-CD2 4.02Å; L374-L436 HydrophobicContact CB-CG 4.42Å; L374-L436 HydrophobicContact CD1-CB 4.37Å; L374-L436 HydrophobicContact CD1-CD2 3.65Å; L374-L436 HydrophobicContact CD1-CG 4Å; L374-L436 HydrophobicContact CG-CD2 4.48Å; L374-L440 HydrophobicContact CB-CD1 4.46Å; L374-L440 HydrophobicContact CD2-CD1 4.48Å
375	E	94	Very high	93.6	Very high	87 Å²	87	34.2 Å²	34.2	41%	0.407	17%	0.171	S	C	.	.	I	π-helix	trans	-70.6	-28.4	-173.1	-71	177.1	174.7	0	0	114.3	Q371 T379 L436	Q371-E375 VanDerWaalsContact CG-CD 3.47Å; Q371-E375 HydrophobicContact CG-CG 4.21Å; Q371-E375 WeakPolarHBondContact CG-OE1 3.36Å; Q371-E375 PolarHBondContact NE2-OE1 3.39Å; Q371-E375 WeakPolarHBondContact O-CB 3.46Å; Q371-E375 WeakPolarHBondContact O-CG 3.22Å; Q371-E375 PolarHBondContact O-N 2.84Å; E375-T379 WeakPolarHBondContact CA-OG1 3.18Å; E375-T379 WeakPolarHBondContact O-CB 3.32Å; E375-T379 PolarHBondContact O-OG1 3.26Å; E375-T379 VanDerWaalsContact O-OG1 3.09Å; E375-L436 HydrophobicContact CG-CD1 4.33Å
376	Q	91	Very high	93.7	Very high	88 Å²	88	34.6 Å²	34.6	41%	0.411	17%	0.173	S	C	.	.	I	π-helix	trans	-106.9	-58.1	-177.9	-61.7	-172.6	-16.3	0	0	112.2	R372 L374 G380	R372-Q376 HydrophobicContact CG-CG 4.05Å; R372-Q376 WeakPolarHBondContact O-CB 3.48Å; R372-Q376 PolarHBondContact O-N 3.47Å; L374-Q376 PolarHBondContact O-N 2.64Å; Q376-G380 WeakPolarHBondContact O-CA 3.4Å; Q376-G380 PolarHBondContact O-N 3.41Å
377	R	91	Very high	93.4	Very high	12 Å²	12	37.7 Å²	37.7	5%	0.045	20%	0.199	C	C	.	.	I	π-helix	trans	-77.2	-45.6	-171.1	-163.9	167.8	179.8	-163	-4	111.5	D316 E343 I344 V373 I381	D316-R377 IonicContact OD1-CZ 3.95Å; D316-R377 IonicContact OD1-NE 2.66Å; D316-R377 IonicContact OD1-NH2 3.16Å; D316-R377 PolarHBondContact OD1-NH2 3.27Å; D316-R377 WeakPolarHBondContact OD2-CG 3.19Å; D316-R377 IonicContact OD2-CZ 3.98Å; D316-R377 IonicContact OD2-NE 3.42Å; D316-R377 PolarHBondContact OD2-NE 3.12Å; D316-R377 IonicContact OD2-NH2 3.98Å; D316-R377 PolarHBondContact OD2-NH2 3.28Å; E343-R377 IonicContact OE1-CZ 3.38Å; E343-R377 IonicContact OE1-NH2 2.74Å; E343-R377 PolarHBondContact OE1-NH2 3.44Å; I344-R377 HydrophobicContact CD1-CG 4.19Å; V373-R377 WeakPolarHBondContact O-CB 3.2Å; V373-R377 PolarHBondContact O-N 2.91Å; V373-R377 VanDerWaalsContact O-N 3.09Å; R377-I381 PolarHBondContact O-N 3.04Å
378	V	94.8	Very high	93.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	I	π-helix	trans	-73.5	-49.9	178.4	179.4	0	0	0	0	111	F341 I344 V373 L374 G380 I381 L382 T416 L419 L440	F341-V378 HydrophobicContact CE1-CG1 4.24Å; F341-V378 HydrophobicContact CE1-CG2 4.1Å; F341-V378 HydrophobicContact CZ-CG1 4.13Å; I344-V378 HydrophobicContact CD1-CG2 4.42Å; V373-V378 HydrophobicContact CG1-CG2 4.33Å; V373-V378 PolarHBondContact O-N 3.02Å; L374-V378 HydrophobicContact CD2-CB 4.38Å; L374-V378 HydrophobicContact CD2-CG2 4.13Å; L374-V378 WeakPolarHBondContact O-CB 3.37Å; V378-G380 VanDerWaalsContact C-N 3.26Å; V378-G380 PolarHBondContact O-N 3.19Å; V378-I381 WeakPolarHBondContact O-CG2 3.43Å; V378-I381 PolarHBondContact O-N 3.3Å; V378-I381 VanDerWaalsContact O-N 3.16Å; V378-L382 HydrophobicContact CG1-CD1 3.83Å; V378-L382 HydrophobicContact CG1-CG 4.12Å; V378-L382 VanDerWaalsContact O-CG 3.29Å; V378-L382 WeakPolarHBondContact O-CG 3.47Å; V378-L382 PolarHBondContact O-N 2.7Å; V378-T416 HydrophobicContact CG1-CG2 3.87Å; V378-L419 HydrophobicContact CG2-CD2 3.62Å; V378-L440 HydrophobicContact CG1-CD1 4.21Å
379	T	93.7	Very high	93.1	Very high	33 Å²	33	40.1 Å²	40.1	20%	0.202	21%	0.207	C	C	.	.	H	α-helix	trans	-55.6	-42.5	175	-51.2	0	0	0	0	111.9	L374 E375 I381 L382 D383 L440	L374-T379 PolarHBondContact O-N 2.88Å; L374-T379 PolarHBondContact O-OG1 2.81Å; E375-T379 WeakPolarHBondContact CA-OG1 3.18Å; E375-T379 WeakPolarHBondContact O-CB 3.32Å; E375-T379 PolarHBondContact O-OG1 3.26Å; E375-T379 VanDerWaalsContact O-OG1 3.09Å; T379-I381 VanDerWaalsContact C-N 3.31Å; T379-I381 PolarHBondContact O-N 3.37Å; T379-L382 PolarHBondContact O-N 3.48Å; T379-L382 VanDerWaalsContact O-N 3.14Å; T379-D383 PolarHBondContact O-N 3.46Å; T379-L440 WeakPolarHBondContact OG1-CD2 3.38Å
380	G	91	Very high	93	Very high	21 Å²	21	43.1 Å²	43.1	22%	0.216	23%	0.228	C	C	.	.	H	α-helix	trans	-59.9	-36.3	179.6	0	0	0	0	0	113.9	Q376 V378 K384	Q376-G380 WeakPolarHBondContact O-CA 3.4Å; Q376-G380 PolarHBondContact O-N 3.41Å; V378-G380 VanDerWaalsContact C-N 3.26Å; V378-G380 PolarHBondContact O-N 3.19Å; G380-K384 WeakPolarHBondContact O-CG 3.49Å
381	I	92.8	Very high	92.8	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-78.5	-37.3	174.4	-166.7	63.7	0	0	0	111.8	I317 V320 L337 L340 R377 V378 T379 D383 K384 I385	I317-I381 HydrophobicContact CB-CD1 4.49Å; I317-I381 HydrophobicContact CG1-CD1 3.99Å; V320-I381 HydrophobicContact CB-CD1 4.14Å; V320-I381 HydrophobicContact CB-CG1 4.34Å; V320-I381 HydrophobicContact CG2-CD1 4.24Å; V320-I381 HydrophobicContact CG2-CG1 4.11Å; L337-I381 HydrophobicContact CD2-CG1 4.47Å; L337-I381 HydrophobicContact CD2-CG2 4.41Å; L340-I381 HydrophobicContact CD2-CB 4.44Å; L340-I381 HydrophobicContact CD2-CG1 4.22Å; L340-I381 HydrophobicContact CD2-CG2 4.13Å; R377-I381 PolarHBondContact O-N 3.04Å; V378-I381 WeakPolarHBondContact O-CG2 3.43Å; V378-I381 PolarHBondContact O-N 3.3Å; V378-I381 VanDerWaalsContact O-N 3.16Å; T379-I381 VanDerWaalsContact C-N 3.31Å; T379-I381 PolarHBondContact O-N 3.37Å; I381-D383 PolarHBondContact O-N 3.49Å; I381-K384 PolarHBondContact O-N 3.03Å; I381-I385 HydrophobicContact CG1-CD1 3.93Å; I381-I385 WeakPolarHBondContact O-CG1 3.34Å; I381-I385 PolarHBondContact O-N 3.46Å; I381-I385 VanDerWaalsContact O-N 3.14Å
382	L	94.8	Very high	92.6	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.037	27%	0.272	C	S	.	.	H	α-helix	trans	-61.8	-42.9	177.3	-69.5	179.3	0	0	0	111.7	V378 T379 K384 I385 L386 A412 L440 F441	V378-L382 HydrophobicContact CG1-CD1 3.83Å; V378-L382 HydrophobicContact CG1-CG 4.12Å; V378-L382 VanDerWaalsContact O-CG 3.29Å; V378-L382 WeakPolarHBondContact O-CG 3.47Å; V378-L382 PolarHBondContact O-N 2.7Å; T379-L382 PolarHBondContact O-N 3.48Å; T379-L382 VanDerWaalsContact O-N 3.14Å; L382-K384 PolarHBondContact O-N 3.16Å; L382-K384 VanDerWaalsContact O-N 3.17Å; L382-I385 PolarHBondContact O-N 3.09Å; L382-I385 VanDerWaalsContact O-N 3.1Å; L382-L386 HydrophobicContact CD2-CD1 4.29Å; L382-L386 WeakPolarHBondContact O-CB 3.38Å; L382-L386 PolarHBondContact O-N 3.11Å; L382-A412 HydrophobicContact CD2-CB 3.76Å; L382-L440 HydrophobicContact CD1-CB 4.34Å; L382-L440 HydrophobicContact CD1-CD1 4.2Å; L382-F441 HydrophobicContact CD1-CE1 4.25Å; L382-F441 HydrophobicContact CD1-CE2 4Å; L382-F441 HydrophobicContact CD1-CZ 3.62Å; L382-F441 HydrophobicContact CD2-CE1 4.2Å; L382-F441 HydrophobicContact CD2-CZ 3.89Å; L382-F441 HydrophobicContact CG-CZ 4.44Å
383	D	92.7	Very high	92.5	Very high	107 Å²	107	52.6 Å²	52.6	57%	0.572	29%	0.289	S	S	*	.	H	α-helix	trans	-58.8	-29	176.8	-76	-17.1	0	0	0	112.9	T379 I381	T379-D383 PolarHBondContact O-N 3.46Å; I381-D383 PolarHBondContact O-N 3.49Å
384	K	90.4	Very high	92.4	Very high	131 Å²	131	55.2 Å²	55.2	57%	0.57	31%	0.306	S	S	*	.	H	α-helix	trans	-82	-34.7	177	-62.2	-59.8	-179.8	-170	0	112.8	I317 L321 G380 I381 L382	I317-K384 HydrophobicContact CD1-CG 4.4Å; L321-K384 HydrophobicContact CD1-CB 4Å; G380-K384 WeakPolarHBondContact O-CG 3.49Å; I381-K384 PolarHBondContact O-N 3.03Å; L382-K384 PolarHBondContact O-N 3.16Å; L382-K384 VanDerWaalsContact O-N 3.17Å
385	I	91.6	Very high	92.2	Very high	15 Å²	15	57.3 Å²	57.3	8%	0.077	32%	0.32	C	S	.	.	H	α-helix	trans	-78.3	-42.6	179.7	-63.4	164	0	0	0	110.6	V320 L321 V333 L337 I381 L382 A387 M408	V320-I385 HydrophobicContact CG1-CD1 3.78Å; V320-I385 HydrophobicContact CG1-CG1 4.36Å; L321-I385 HydrophobicContact CD2-CG1 4.08Å; L321-I385 HydrophobicContact CG-CG1 4.49Å; V333-I385 HydrophobicContact CG1-CD1 4.06Å; V333-I385 HydrophobicContact CG1-CG1 4.47Å; V333-I385 HydrophobicContact CG1-CG2 4.13Å; L337-I385 HydrophobicContact CD1-CD1 4.21Å; L337-I385 HydrophobicContact CD2-CD1 3.85Å; L337-I385 HydrophobicContact CG-CD1 4.25Å; I381-I385 HydrophobicContact CG1-CD1 3.93Å; I381-I385 WeakPolarHBondContact O-CG1 3.34Å; I381-I385 PolarHBondContact O-N 3.46Å; I381-I385 VanDerWaalsContact O-N 3.14Å; L382-I385 PolarHBondContact O-N 3.09Å; L382-I385 VanDerWaalsContact O-N 3.1Å; I385-A387 PolarHBondContact O-N 3.47Å; I385-M408 HydrophobicContact CG2-CB 4.04Å; I385-M408 HydrophobicContact CG2-CG 4.27Å; I385-M408 HydrophobicContact CG2-SD 4.33Å
386	L	93.5	Very high	92.1	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.037	32%	0.317	C	S	.	.			trans	-101	47.7	-169.1	-56.4	177.9	0	0	0	111.7	L382 K388 M408 L409 A412 F441 H444	L382-L386 HydrophobicContact CD2-CD1 4.29Å; L382-L386 WeakPolarHBondContact O-CB 3.38Å; L382-L386 PolarHBondContact O-N 3.11Å; L386-K388 PolarHBondContact O-N 3.44Å; L386-M408 HydrophobicContact CD2-CB 4Å; L386-L409 HydrophobicContact CD1-CD1 3.88Å; L386-L409 HydrophobicContact CD2-CB 4.1Å; L386-L409 HydrophobicContact CD2-CD1 4.22Å; L386-A412 HydrophobicContact CD1-CB 4.15Å; L386-A412 HydrophobicContact CD2-CB 4.24Å; L386-A412 HydrophobicContact CG-CB 4.45Å; L386-F441 HydrophobicContact CD1-CD1 4.22Å; L386-F441 HydrophobicContact CD1-CE1 3.84Å; L386-H444 PolarHBondContact O-CE1 2.95Å
387	A	90.4	Very high	92	Very high	73 Å²	73	53.9 Å²	53.9	60%	0.603	31%	0.312	S	S	*	.			trans	-62.9	107.8	170.4	0	0	0	0	0	109.6	I385 P389	I385-A387 PolarHBondContact O-N 3.47Å; A387-P389 WeakPolarHBondContact O-CD 2.87Å
388	K	90.3	Very high	91.8	Very high	95 Å²	95	61.4 Å²	61.4	41%	0.413	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-65.4	119.6	-171.3	-173	172.6	177.5	175.8	0	111.9	L386 E447	L386-K388 PolarHBondContact O-N 3.44Å; K388-E447 WeakPolarHBondContact CE-OE2 3.49Å; K388-E447 IonicContact NZ-OE1 2.82Å; K388-E447 PolarHBondContact NZ-OE1 2.97Å; K388-E447 IonicContact NZ-OE2 3.19Å; K388-E447 PolarHBondContact NZ-OE2 3.04Å
389	P	92.4	Very high	91.5	Very high	19 Å²	19	67.1 Å²	67.1	12%	0.123	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-76.1	153	177.8	31.3	-34.5	0	0	0	111.5	A387 P395 L402 Y405	A387-P389 WeakPolarHBondContact O-CD 2.87Å; P389-P395 HydrophobicContact CB-CG 4.01Å; P389-L402 HydrophobicContact CB-CD2 3.84Å; P389-L402 HydrophobicContact CG-CD2 3.67Å; P389-Y405 VanDerWaalsContact CD-CD2 3.49Å; P389-Y405 VanDerWaalsContact CD-CG 3.49Å; P389-Y405 HydrophobicContact CG-CD1 3.8Å; P389-Y405 HydrophobicContact CG-CD2 4.22Å; P389-Y405 HydrophobicContact CG-CE1 4.39Å; P389-Y405 HydrophobicContact CG-CG 3.7Å
390	S	92.6	Very high	91.3	Very high	63 Å²	63	66.9 Å²	66.9	44%	0.441	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-81.3	131.5	173.8	178.3	0	0	0	0	111.1	M392 S393 P394	S390-M392 VanDerWaalsContact C-N 3.28Å; S390-M392 PolarHBondContact O-N 2.85Å; S390-M392 PolarHBondContact OG-N 3.39Å; S390-S393 CarbonylContact O-C 3.58Å; S390-S393 PolarHBondContact O-N 3.1Å; S390-S393 PolarHBondContact OG-N 3.47Å; S390-P394 VanDerWaalsContact O-CA 3.3Å; S390-P394 WeakPolarHBondContact O-CA 3.43Å
391	L	91.8	Very high	91.4	Very high	73 Å²	73	66.1 Å²	66.1	38%	0.382	37%	0.371	S	S	.	.	S	Bend	trans	-71	-23.8	171.7	-66.8	179.3	0	0	0	113.1	L402 E450 H451 A454	L391-L402 HydrophobicContact CD2-CD1 4.03Å; L391-L402 HydrophobicContact CD2-CD2 4.43Å; L391-E450 HydrophobicContact CD1-CB 3.86Å; L391-H451 HydrophobicContact CD2-CB 4.43Å; L391-A454 HydrophobicContact CD2-CB 3.83Å
392	M	91.3	Very high	91.6	Very high	180 Å²	180	66.1 Å²	66.1	89%	0.887	37%	0.37	S	S	*	.	S	Bend	trans	-77.4	-28.7	177.2	-65.2	-124.1	74.1	0	0	112.3	S390	S390-M392 VanDerWaalsContact C-N 3.28Å; S390-M392 PolarHBondContact O-N 2.85Å; S390-M392 PolarHBondContact OG-N 3.39Å
393	S	91.9	Very high	91.7	Very high	90 Å²	90	66.4 Å²	66.4	63%	0.629	37%	0.372	S	S	*	.	S	Bend	trans	-135.9	69.7	-178	165.5	0	0	0	0	108.3	S390	S390-S393 CarbonylContact O-C 3.58Å; S390-S393 PolarHBondContact O-N 3.1Å; S390-S393 PolarHBondContact OG-N 3.47Å
394	P	92.3	Very high	91.8	Very high	55 Å²	55	63.1 Å²	63.1	36%	0.357	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-66.3	145.8	-177.2	28	-34.1	0	0	0	110.4	S390 L402	S390-P394 VanDerWaalsContact O-CA 3.3Å; S390-P394 WeakPolarHBondContact O-CA 3.43Å; P394-L402 HydrophobicContact CB-CD1 4.04Å; P394-L402 HydrophobicContact CB-CD2 4.08Å; P394-L402 HydrophobicContact CB-CG 3.89Å
395	P	92.5	Very high	92	Very high	44 Å²	44	57.7 Å²	57.7	29%	0.286	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-56.5	147.7	171.9	-21.1	31.5	0	0	0	111	P389 G401 Q458	P389-P395 HydrophobicContact CB-CG 4.01Å; P395-G401 WeakPolarHBondContact O-CA 3.26Å; P395-Q458 PolarHBondContact O-NE2 3.42Å
396	P	91.2	Very high	92.3	Very high	55 Å²	55	57 Å²	57	36%	0.357	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-63.7	147	178.4	24.7	-30.9	0	0	0	111.6	Q398 E399 G401	P396-Q398 PolarHBondContact O-N 3.09Å; P396-E399 HydrophobicContact CG-CB 4.06Å; P396-E399 HydrophobicContact CG-CG 3.85Å; P396-E399 PolarHBondContact O-N 3.44Å; P396-G401 WeakPolarHBondContact O-CA 3.42Å; P396-G401 PolarHBondContact O-N 3.44Å
397	V	90.2	Very high	92.5	Very high	48 Å²	48	60.8 Å²	60.8	29%	0.291	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-62.2	-30.3	-178.5	-179.9	0	0	0	0	111.7	E399 G400 Q458 A462	V397-E399 PolarHBondContact O-N 3.06Å; V397-G400 WeakPolarHBondContact O-CA 3.44Å; V397-G400 PolarHBondContact O-N 3.32Å; V397-Q458 HydrophobicContact CG2-CB 4.43Å; V397-Q458 VanDerWaalsContact CG2-CD 3.42Å; V397-Q458 HydrophobicContact CG2-CG 3.42Å; V397-Q458 VanDerWaalsContact CG2-CG 3.42Å; V397-A462 HydrophobicContact CB-CB 4.35Å; V397-A462 HydrophobicContact CG1-CB 4.21Å; V397-A462 HydrophobicContact CG2-CB 4.08Å
398	Q	85.9	Confident	92.8	Very high	169 Å²	169	57.7 Å²	57.7	79%	0.79	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-63.2	-27.8	176.4	-61.2	81.1	2.7	0	0	112.4	P396 G400	P396-Q398 PolarHBondContact O-N 3.09Å; Q398-G400 VanDerWaalsContact C-N 3.31Å
399	E	88	Confident	93.1	Very high	120 Å²	120	53.2 Å²	53.2	56%	0.561	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-95.1	14.8	173.7	-63	176.2	-175.3	0	0	111.8	P396 V397	P396-E399 HydrophobicContact CG-CB 4.06Å; P396-E399 HydrophobicContact CG-CG 3.85Å; P396-E399 PolarHBondContact O-N 3.44Å; V397-E399 PolarHBondContact O-N 3.06Å
400	G	89.7	Confident	93.3	Very high	29 Å²	29	52.9 Å²	52.9	30%	0.299	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.1	-14	179.3	0	0	0	0	0	115	V397 Q398 L404	V397-G400 WeakPolarHBondContact O-CA 3.44Å; V397-G400 PolarHBondContact O-N 3.32Å; Q398-G400 VanDerWaalsContact C-N 3.31Å; G400-L404 PolarHBondContact O-N 3.26Å; G400-L404 VanDerWaalsContact O-N 3.08Å
401	G	93.8	Very high	93.6	Very high	5 Å²	5	50.8 Å²	50.8	5%	0.052	28%	0.278	C	S	.	.	H	α-helix	trans	56.8	-156.1	176.5	0	0	0	0	0	114.5	P395 P396 L403 L404	P395-G401 WeakPolarHBondContact O-CA 3.26Å; P396-G401 WeakPolarHBondContact O-CA 3.42Å; P396-G401 PolarHBondContact O-N 3.44Å; G401-L403 PolarHBondContact O-N 3.04Å; G401-L404 PolarHBondContact O-N 3.48Å
402	L	96.7	Very high	93.8	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.016	26%	0.26	C	S	.	.	H	α-helix	trans	-65.5	-25.2	174.3	-66	174.5	0	0	0	112.5	P389 L391 P394 L404 Y405 L406 A454 Q458	P389-L402 HydrophobicContact CB-CD2 3.84Å; P389-L402 HydrophobicContact CG-CD2 3.67Å; L391-L402 HydrophobicContact CD2-CD1 4.03Å; L391-L402 HydrophobicContact CD2-CD2 4.43Å; P394-L402 HydrophobicContact CB-CD1 4.04Å; P394-L402 HydrophobicContact CB-CD2 4.08Å; P394-L402 HydrophobicContact CB-CG 3.89Å; L402-L404 VanDerWaalsContact C-N 3.32Å; L402-L404 PolarHBondContact O-N 3.43Å; L402-Y405 PolarHBondContact O-N 3.37Å; L402-L406 WeakPolarHBondContact O-CG 3.43Å; L402-L406 PolarHBondContact O-N 3.07Å; L402-L406 VanDerWaalsContact O-N 3.13Å; L402-A454 HydrophobicContact CD1-CB 3.49Å; L402-A454 VanDerWaalsContact CD1-CB 3.49Å; L402-Q458 VanDerWaalsContact N-OE1 3.08Å
403	L	96.3	Very high	94.1	Very high	14 Å²	14	39 Å²	39	7%	0.073	22%	0.218	C	C	.	.	H	α-helix	trans	-64.3	-36.9	-178.8	-176.3	60.4	0	0	0	112	G401 L406 R407 S455 L459	G401-L403 PolarHBondContact O-N 3.04Å; L403-L406 PolarHBondContact O-N 3.45Å; L403-R407 HydrophobicContact CD1-CG 4.35Å; L403-R407 HydrophobicContact CG-CG 4.42Å; L403-R407 WeakPolarHBondContact O-CB 3.36Å; L403-R407 WeakPolarHBondContact O-CG 3.46Å; L403-R407 PolarHBondContact O-N 2.86Å; L403-S455 WeakPolarHBondContact CA-OG 3.32Å; L403-S455 WeakPolarHBondContact CB-OG 3.38Å; L403-S455 PolarHBondContact N-OG 3.28Å; L403-L459 HydrophobicContact CD2-CD1 4.12Å; L403-L459 HydrophobicContact CD2-CD2 4.16Å
404	L	94.9	Very high	94.4	Very high	38 Å²	38	38.4 Å²	38.4	20%	0.199	21%	0.206	C	C	.	.	H	α-helix	trans	-61	-46.2	177.2	-179.9	61.5	0	0	0	111.3	P330 G400 G401 L402 L406 R407 M408	P330-L404 HydrophobicContact CG-CD1 4.35Å; G400-L404 PolarHBondContact O-N 3.26Å; G400-L404 VanDerWaalsContact O-N 3.08Å; G401-L404 PolarHBondContact O-N 3.48Å; L402-L404 VanDerWaalsContact C-N 3.32Å; L402-L404 PolarHBondContact O-N 3.43Å; L404-L406 PolarHBondContact O-N 3.37Å; L404-R407 PolarHBondContact O-N 3.39Å; L404-M408 HydrophobicContact CD1-CE 3.85Å; L404-M408 WeakPolarHBondContact O-CG 3.42Å; L404-M408 PolarHBondContact O-N 2.84Å
405	Y	95.6	Very high	94.6	Very high	16 Å²	16	38.8 Å²	38.8	6%	0.063	20%	0.2	C	C	.	.	H	α-helix	trans	-59.5	-45.9	175.3	163.4	-101.6	0	0	0	111.9	P389 L402 R407 M408 L409 H444 H451	P389-Y405 VanDerWaalsContact CD-CD2 3.49Å; P389-Y405 VanDerWaalsContact CD-CG 3.49Å; P389-Y405 HydrophobicContact CG-CD1 3.8Å; P389-Y405 HydrophobicContact CG-CD2 4.22Å; P389-Y405 HydrophobicContact CG-CE1 4.39Å; P389-Y405 HydrophobicContact CG-CG 3.7Å; L402-Y405 PolarHBondContact O-N 3.37Å; Y405-R407 VanDerWaalsContact C-N 3.31Å; Y405-R407 PolarHBondContact O-N 3.1Å; Y405-M408 WeakPolarHBondContact O-CB 3.4Å; Y405-M408 PolarHBondContact O-N 2.67Å; Y405-L409 WeakPolarHBondContact O-CB 3.39Å; Y405-L409 PolarHBondContact O-N 3.28Å; Y405-H444 AromaticContact CE2-ND1 3.93Å; Y405-H444 AromaticContact CZ-ND1 3.78Å; Y405-H444 PolarHBondContact OH-ND1 2.97Å; Y405-H451 AromaticContact CE1-CD2 3.98Å
406	L	97.5	Very high	94.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.9	-37.5	178.4	-66.9	167.5	0	0	0	112.5	L402 L403 L404 L409 A410 Y448 H451 E452	L402-L406 WeakPolarHBondContact O-CG 3.43Å; L402-L406 PolarHBondContact O-N 3.07Å; L402-L406 VanDerWaalsContact O-N 3.13Å; L403-L406 PolarHBondContact O-N 3.45Å; L404-L406 PolarHBondContact O-N 3.37Å; L406-L409 PolarHBondContact O-N 2.84Å; L406-A410 PolarHBondContact O-N 3.47Å; L406-Y448 HydrophobicContact CD2-CD2 3.66Å; L406-Y448 HydrophobicContact CD2-CE2 3.83Å; L406-H451 HydrophobicContact CD2-CB 3.94Å; L406-E452 HydrophobicContact CD1-CB 4.41Å
407	R	97.1	Very high	95.1	Very high	88 Å²	88	37.1 Å²	37.1	33%	0.332	18%	0.183	S	C	.	.	H	α-helix	trans	-69	-40.2	173.9	-72.5	172.7	173	171.8	-2.1	112	P330 L403 L404 Y405 L409 A410 V411 E510	P330-R407 HydrophobicContact CB-CB 4.34Å; P330-R407 HydrophobicContact CG-CB 3.9Å; L403-R407 HydrophobicContact CD1-CG 4.35Å; L403-R407 HydrophobicContact CG-CG 4.42Å; L403-R407 WeakPolarHBondContact O-CB 3.36Å; L403-R407 WeakPolarHBondContact O-CG 3.46Å; L403-R407 PolarHBondContact O-N 2.86Å; L404-R407 PolarHBondContact O-N 3.39Å; Y405-R407 VanDerWaalsContact C-N 3.31Å; Y405-R407 PolarHBondContact O-N 3.1Å; R407-L409 VanDerWaalsContact C-N 3.33Å; R407-A410 PolarHBondContact O-N 3.37Å; R407-V411 WeakPolarHBondContact O-CG2 3.49Å; R407-V411 PolarHBondContact O-N 3.39Å; R407-V411 VanDerWaalsContact O-N 3.1Å; R407-E510 IonicContact CZ-OE1 3.52Å; R407-E510 IonicContact CZ-OE2 2.8Å; R407-E510 IonicContact NE-OE1 2.58Å; R407-E510 PolarHBondContact NE-OE1 3.24Å; R407-E510 IonicContact NE-OE2 3.66Å; R407-E510 VanDerWaalsContact NH2-CD 3.33Å; R407-E510 IonicContact NH2-OE1 3.68Å; R407-E510 PolarHBondContact NH2-OE1 2.91Å; R407-E510 VanDerWaalsContact NH2-OE1 3.13Å; R407-E510 IonicContact NH2-OE2 3.64Å; R407-E510 PolarHBondContact NH2-OE2 2.92Å
408	M	96	Very high	95.4	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.039	19%	0.188	C	C	.	.	H	α-helix	trans	-59.8	-45.9	172.2	-71.5	-49	88.4	0	0	110.8	P330 V333 I385 L386 L404 Y405 A410 V411 A412	P330-M408 HydrophobicContact CB-CE 3.45Å; P330-M408 VanDerWaalsContact CB-CE 3.45Å; P330-M408 HydrophobicContact CG-CE 3.31Å; V333-M408 HydrophobicContact CB-SD 4.18Å; V333-M408 HydrophobicContact CG1-SD 4.36Å; V333-M408 HydrophobicContact CG2-SD 3.83Å; I385-M408 HydrophobicContact CG2-CB 4.04Å; I385-M408 HydrophobicContact CG2-CG 4.27Å; I385-M408 HydrophobicContact CG2-SD 4.33Å; L386-M408 HydrophobicContact CD2-CB 4Å; L404-M408 HydrophobicContact CD1-CE 3.85Å; L404-M408 WeakPolarHBondContact O-CG 3.42Å; L404-M408 PolarHBondContact O-N 2.84Å; Y405-M408 WeakPolarHBondContact O-CB 3.4Å; Y405-M408 PolarHBondContact O-N 2.67Å; M408-A410 PolarHBondContact O-N 3.14Å; M408-V411 PolarHBondContact O-N 2.98Å; M408-A412 VanDerWaalsContact O-CB 3.22Å; M408-A412 WeakPolarHBondContact O-CB 3.26Å; M408-A412 PolarHBondContact O-N 3.37Å
409	L	97.5	Very high	96	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.9	-45.5	179.4	-178.7	62.4	0	0	0	111.5	L386 Y405 L406 R407 A412 Y413 F441 H444 F518	L386-L409 HydrophobicContact CD1-CD1 3.88Å; L386-L409 HydrophobicContact CD2-CB 4.1Å; L386-L409 HydrophobicContact CD2-CD1 4.22Å; Y405-L409 WeakPolarHBondContact O-CB 3.39Å; Y405-L409 PolarHBondContact O-N 3.28Å; L406-L409 PolarHBondContact O-N 2.84Å; R407-L409 VanDerWaalsContact C-N 3.33Å; L409-A412 PolarHBondContact O-N 3.01Å; L409-Y413 VanDerWaalsContact O-CB 3.23Å; L409-Y413 WeakPolarHBondContact O-CB 3.45Å; L409-Y413 PolarHBondContact O-N 3.14Å; L409-F441 HydrophobicContact CD1-CD1 3.85Å; L409-F441 HydrophobicContact CD1-CE1 4.33Å; L409-H444 HydrophobicContact CD1-CB 3.68Å; L409-H444 HydrophobicContact CD2-CB 4.15Å; L409-F518 HydrophobicContact CB-CZ 4.23Å; L409-F518 HydrophobicContact CD2-CE2 4.11Å; L409-F518 HydrophobicContact CD2-CZ 3.92Å; L409-F518 HydrophobicContact CG-CE1 4.09Å; L409-F518 HydrophobicContact CG-CE2 4.32Å; L409-F518 HydrophobicContact CG-CZ 3.64Å
410	A	97.6	Very high	96.4	Very high	12 Å²	12	25.2 Å²	25.2	10%	0.099	13%	0.125	C	C	.	.	H	α-helix	trans	-62.2	-48.6	178.9	0	0	0	0	0	111.6	L406 R407 M408 A412 Y413 E414 R514 L517 F518	L406-A410 PolarHBondContact O-N 3.47Å; R407-A410 PolarHBondContact O-N 3.37Å; M408-A410 PolarHBondContact O-N 3.14Å; A410-A412 PolarHBondContact O-N 3.18Å; A410-Y413 PolarHBondContact O-N 3.02Å; A410-E414 WeakPolarHBondContact O-CB 3.38Å; A410-E414 WeakPolarHBondContact O-CG 3.43Å; A410-E414 PolarHBondContact O-N 3.48Å; A410-R514 HydrophobicContact CB-CG 4.09Å; A410-L517 HydrophobicContact CB-CD2 3.86Å; A410-F518 HydrophobicContact CB-CZ 3.95Å
411	V	97.4	Very high	96.8	Very high	20 Å²	20	29.6 Å²	29.6	12%	0.121	14%	0.136	C	C	.	.	H	α-helix	trans	-60.5	-47.3	177.4	166.6	0	0	0	0	111.5	P330 V333 A334 L337 R407 M408 Y413 R415	P330-V411 HydrophobicContact CB-CG2 4.17Å; V333-V411 HydrophobicContact CG1-CG1 4.31Å; A334-V411 VanDerWaalsContact CA-CG1 3.43Å; A334-V411 HydrophobicContact CB-CG1 3.51Å; A334-V411 HydrophobicContact CB-CG2 4.4Å; L337-V411 HydrophobicContact CD1-CG1 4.35Å; R407-V411 WeakPolarHBondContact O-CG2 3.49Å; R407-V411 PolarHBondContact O-N 3.39Å; R407-V411 VanDerWaalsContact O-N 3.1Å; M408-V411 PolarHBondContact O-N 2.98Å; V411-Y413 VanDerWaalsContact C-N 3.34Å; V411-Y413 PolarHBondContact O-N 3.18Å; V411-R415 HydrophobicContact CG1-CG 4.47Å; V411-R415 WeakPolarHBondContact O-CB 3.33Å; V411-R415 VanDerWaalsContact O-CG 3.26Å; V411-R415 WeakPolarHBondContact O-CG 3.29Å; V411-R415 PolarHBondContact O-N 3.41Å
412	A	97.4	Very high	96.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.1	-43.6	-179.7	0	0	0	0	0	111.3	L337 L382 L386 M408 L409 A410 T416 F441	L337-A412 HydrophobicContact CD1-CB 4.34Å; L382-A412 HydrophobicContact CD2-CB 3.76Å; L386-A412 HydrophobicContact CD1-CB 4.15Å; L386-A412 HydrophobicContact CD2-CB 4.24Å; L386-A412 HydrophobicContact CG-CB 4.45Å; M408-A412 VanDerWaalsContact O-CB 3.22Å; M408-A412 WeakPolarHBondContact O-CB 3.26Å; M408-A412 PolarHBondContact O-N 3.37Å; L409-A412 PolarHBondContact O-N 3.01Å; A410-A412 PolarHBondContact O-N 3.18Å; A412-T416 WeakPolarHBondContact O-CB 3.41Å; A412-T416 PolarHBondContact O-N 3.13Å; A412-T416 PolarHBondContact O-OG1 3.26Å; A412-F441 HydrophobicContact CB-CE1 4.1Å; A412-F441 HydrophobicContact CB-CZ 4.44Å
413	Y	97.5	Very high	96.9	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.016	15%	0.153	C	C	.	.	H	α-helix	trans	-63.7	-52.2	178.1	-174.7	-105.3	0	0	0	112.1	L409 A410 V411 R415 T416 Q417 E438 F441 K445 L517 F518	L409-Y413 VanDerWaalsContact O-CB 3.23Å; L409-Y413 WeakPolarHBondContact O-CB 3.45Å; L409-Y413 PolarHBondContact O-N 3.14Å; A410-Y413 PolarHBondContact O-N 3.02Å; V411-Y413 VanDerWaalsContact C-N 3.34Å; V411-Y413 PolarHBondContact O-N 3.18Å; Y413-R415 PolarHBondContact O-N 2.89Å; Y413-T416 PolarHBondContact O-N 2.89Å; Y413-Q417 HydrophobicContact CD1-CG 4.38Å; Y413-Q417 HydrophobicContact CE1-CG 4.04Å; Y413-Q417 HydrophobicContact CE2-CG 4.37Å; Y413-Q417 WeakPolarHBondContact O-CG 3.38Å; Y413-Q417 PolarHBondContact O-N 2.99Å; Y413-Q417 PolarHBondContact OH-NE2 3.29Å; Y413-E438 WeakPolarHBondContact CE2-OE2 3.23Å; Y413-E438 PolarHBondContact OH-OE2 3.44Å; Y413-F441 HydrophobicContact CD2-CB 4.03Å; Y413-F441 AromaticContact CD2-CD1 3.99Å; Y413-F441 HydrophobicContact CD2-CD1 3.99Å; Y413-F441 AromaticContact CD2-CD2 3.62Å; Y413-F441 HydrophobicContact CD2-CD2 3.62Å; Y413-F441 HydrophobicContact CD2-CE1 4.34Å; Y413-F441 HydrophobicContact CD2-CE2 4.02Å; Y413-F441 AromaticContact CD2-CG 3.61Å; Y413-F441 HydrophobicContact CD2-CG 3.61Å; Y413-F441 HydrophobicContact CD2-CZ 4.36Å; Y413-F441 HydrophobicContact CE2-CB 4.33Å; Y413-F441 HydrophobicContact CE2-CD2 4.12Å; Y413-F441 HydrophobicContact CE2-CG 4.27Å; Y413-K445 VanDerWaalsContact CZ-CE 3.47Å; Y413-K445 PolarHBondContact OH-NZ 3.3Å; Y413-L517 HydrophobicContact CD1-CD1 3.87Å; Y413-L517 HydrophobicContact CD1-CD2 4.14Å; Y413-L517 HydrophobicContact CD1-CG 3.78Å; Y413-L517 HydrophobicContact CE1-CD1 4.09Å; Y413-L517 HydrophobicContact CE1-CG 4.18Å; Y413-F518 HydrophobicContact CD1-CD1 4.03Å; Y413-F518 HydrophobicContact CD1-CE1 4.01Å; Y413-F518 HydrophobicContact CE1-CD1 4.43Å; Y413-F518 HydrophobicContact CG-CD1 4.22Å; Y413-F518 AromaticContact CG-CE1 3.95Å; Y413-F518 HydrophobicContact CG-CE1 3.95Å
414	E	96.8	Very high	96.8	Very high	79 Å²	79	37.3 Å²	37.3	37%	0.369	17%	0.168	S	C	.	.	H	α-helix	trans	-56.6	-48.4	179.2	-75.7	176	168.8	0	0	112	A410 T416 Q417 E418 L517	A410-E414 WeakPolarHBondContact O-CB 3.38Å; A410-E414 WeakPolarHBondContact O-CG 3.43Å; A410-E414 PolarHBondContact O-N 3.48Å; E414-T416 VanDerWaalsContact C-N 3.31Å; E414-T416 PolarHBondContact O-N 3.13Å; E414-Q417 PolarHBondContact O-N 2.71Å; E414-E418 WeakPolarHBondContact O-CG 3.19Å; E414-E418 PolarHBondContact O-N 3.33Å; E414-L517 HydrophobicContact CG-CD1 3.72Å; E414-L517 HydrophobicContact CG-CD2 3.74Å; E414-L517 HydrophobicContact CG-CG 4.38Å
415	R	97.4	Very high	96.9	Very high	63 Å²	63	39.8 Å²	39.8	24%	0.238	19%	0.194	C	C	.	.	H	α-helix	trans	-66.4	-35	-179.8	-63.6	-60.9	170.6	-146.9	-12.4	112	L337 S338 F341 V411 Y413 E418 L419	L337-R415 HydrophobicContact CB-CB 4.08Å; L337-R415 HydrophobicContact CB-CG 4.16Å; L337-R415 HydrophobicContact CD1-CB 4.25Å; L337-R415 HydrophobicContact CD1-CG 4.45Å; S338-R415 WeakPolarHBondContact OG-CD 3.42Å; S338-R415 PolarHBondContact OG-NE 3.17Å; F341-R415 HydrophobicContact CD2-CB 3.93Å; F341-R415 WeakPolarHBondContact CD2-O 3.43Å; F341-R415 VanDerWaalsContact CE2-C 3.42Å; F341-R415 HydrophobicContact CE2-CB 3.72Å; F341-R415 WeakPolarHBondContact CE2-O 3.29Å; V411-R415 HydrophobicContact CG1-CG 4.47Å; V411-R415 WeakPolarHBondContact O-CB 3.33Å; V411-R415 VanDerWaalsContact O-CG 3.26Å; V411-R415 WeakPolarHBondContact O-CG 3.29Å; V411-R415 PolarHBondContact O-N 3.41Å; Y413-R415 PolarHBondContact O-N 2.89Å; R415-E418 WeakPolarHBondContact CD-OE2 3.22Å; R415-E418 IonicContact CZ-OE1 2.72Å; R415-E418 IonicContact CZ-OE2 3.55Å; R415-E418 IonicContact NE-OE2 2.66Å; R415-E418 IonicContact NH1-OE1 3.36Å; R415-E418 PolarHBondContact NH1-OE1 3.22Å; R415-E418 IonicContact NH1-OE2 2.92Å; R415-E418 PolarHBondContact NH1-OE2 2.95Å; R415-E418 PolarHBondContact O-N 2.76Å; R415-L419 PolarHBondContact O-N 2.77Å
416	T	97.6	Very high	96.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-73.3	-33.5	178.7	-49	0	0	0	0	111	V378 A412 Y413 E414 L419 A420 T437 F441	V378-T416 HydrophobicContact CG1-CG2 3.87Å; A412-T416 WeakPolarHBondContact O-CB 3.41Å; A412-T416 PolarHBondContact O-N 3.13Å; A412-T416 PolarHBondContact O-OG1 3.26Å; Y413-T416 PolarHBondContact O-N 2.89Å; E414-T416 VanDerWaalsContact C-N 3.31Å; E414-T416 PolarHBondContact O-N 3.13Å; T416-L419 WeakPolarHBondContact O-CB 3.39Å; T416-L419 PolarHBondContact O-N 3.05Å; T416-A420 WeakPolarHBondContact O-CB 3.42Å; T416-A420 PolarHBondContact O-N 3.08Å; T416-T437 HydrophobicContact CG2-CG2 3.71Å; T416-F441 HydrophobicContact CG2-CE2 4.01Å; T416-F441 HydrophobicContact CG2-CZ 4.44Å
417	Q	96.4	Very high	96.5	Very high	63 Å²	63	42 Å²	42	29%	0.294	22%	0.215	S	C	.	.	H	α-helix	trans	-64.9	-38.1	170.1	-73	-167.9	-36.7	0	0	112.8	Y413 E414 A420 K421	Y413-Q417 HydrophobicContact CD1-CG 4.38Å; Y413-Q417 HydrophobicContact CE1-CG 4.04Å; Y413-Q417 HydrophobicContact CE2-CG 4.37Å; Y413-Q417 WeakPolarHBondContact O-CG 3.38Å; Y413-Q417 PolarHBondContact O-N 2.99Å; Y413-Q417 PolarHBondContact OH-NE2 3.29Å; E414-Q417 PolarHBondContact O-N 2.71Å; Q417-A420 WeakPolarHBondContact O-CB 3.28Å; Q417-A420 PolarHBondContact O-N 3.28Å; Q417-K421 WeakPolarHBondContact O-CG 3.31Å; Q417-K421 PolarHBondContact O-N 3.29Å; Q417-K421 VanDerWaalsContact O-N 3.17Å
418	E	96.9	Very high	96.2	Very high	85 Å²	85	38.3 Å²	38.3	40%	0.397	20%	0.203	S	C	.	.	H	α-helix	trans	-62.3	-46	172.1	-71.9	174.2	176.3	0	0	111	E414 R415 A420 K421 D422	E414-E418 WeakPolarHBondContact O-CG 3.19Å; E414-E418 PolarHBondContact O-N 3.33Å; R415-E418 WeakPolarHBondContact CD-OE2 3.22Å; R415-E418 IonicContact CZ-OE1 2.72Å; R415-E418 IonicContact CZ-OE2 3.55Å; R415-E418 IonicContact NE-OE2 2.66Å; R415-E418 IonicContact NH1-OE1 3.36Å; R415-E418 PolarHBondContact NH1-OE1 3.22Å; R415-E418 IonicContact NH1-OE2 2.92Å; R415-E418 PolarHBondContact NH1-OE2 2.95Å; R415-E418 PolarHBondContact O-N 2.76Å; E418-A420 VanDerWaalsContact C-N 3.31Å; E418-A420 PolarHBondContact O-N 2.86Å; E418-K421 WeakPolarHBondContact O-CB 3.31Å; E418-K421 PolarHBondContact O-N 3.18Å; E418-D422 PolarHBondContact O-N 3.16Å
419	L	97.5	Very high	95.9	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-57.6	-43.4	174.1	174.9	66.1	0	0	0	111.8	F341 I344 T345 L374 V378 R415 T416 K421 D422 L423	F341-L419 HydrophobicContact CB-CB 4.14Å; F341-L419 HydrophobicContact CB-CD1 3.97Å; F341-L419 HydrophobicContact CB-CD2 4.43Å; F341-L419 HydrophobicContact CB-CG 4.39Å; F341-L419 HydrophobicContact CD1-CD2 3.71Å; F341-L419 HydrophobicContact CD2-CB 3.78Å; F341-L419 HydrophobicContact CD2-CD2 4.22Å; F341-L419 HydrophobicContact CE1-CD2 3.88Å; F341-L419 HydrophobicContact CE2-CB 4.3Å; F341-L419 HydrophobicContact CE2-CD2 4.39Å; F341-L419 HydrophobicContact CG-CB 3.96Å; F341-L419 HydrophobicContact CG-CD1 4.32Å; F341-L419 HydrophobicContact CG-CD2 3.87Å; F341-L419 HydrophobicContact CG-CG 4.26Å; F341-L419 HydrophobicContact CZ-CD2 4.21Å; I344-L419 HydrophobicContact CG2-CD1 4.3Å; T345-L419 WeakPolarHBondContact OG1-CD1 3.37Å; L374-L419 HydrophobicContact CD2-CD2 4.35Å; V378-L419 HydrophobicContact CG2-CD2 3.62Å; R415-L419 PolarHBondContact O-N 2.77Å; T416-L419 WeakPolarHBondContact O-CB 3.39Å; T416-L419 PolarHBondContact O-N 3.05Å; L419-K421 VanDerWaalsContact C-N 3.3Å; L419-K421 PolarHBondContact O-N 3.2Å; L419-D422 PolarHBondContact O-N 3.39Å; L419-L423 HydrophobicContact CD1-CD1 3.83Å; L419-L423 HydrophobicContact CD1-CD2 4.27Å; L419-L423 HydrophobicContact CD1-CG 3.79Å; L419-L423 HydrophobicContact CD2-CD1 4.23Å; L419-L423 HydrophobicContact CG-CD1 3.7Å; L419-L423 HydrophobicContact CG-CG 4.1Å; L419-L423 WeakPolarHBondContact O-CB 3.3Å; L419-L423 VanDerWaalsContact O-CG 3.27Å; L419-L423 WeakPolarHBondContact O-CG 3.43Å; L419-L423 PolarHBondContact O-N 3.07Å
420	A	97.2	Very high	95.5	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-58	-42.8	178	0	0	0	0	0	112.1	T416 Q417 E418 R424 V433 T437	T416-A420 WeakPolarHBondContact O-CB 3.42Å; T416-A420 PolarHBondContact O-N 3.08Å; Q417-A420 WeakPolarHBondContact O-CB 3.28Å; Q417-A420 PolarHBondContact O-N 3.28Å; E418-A420 VanDerWaalsContact C-N 3.31Å; E418-A420 PolarHBondContact O-N 2.86Å; A420-R424 WeakPolarHBondContact O-CB 3.38Å; A420-R424 PolarHBondContact O-N 3.17Å; A420-V433 HydrophobicContact CB-CG1 3.83Å; A420-T437 HydrophobicContact CB-CG2 4.32Å; A420-T437 WeakPolarHBondContact CB-OG1 3.35Å
421	K	96.8	Very high	95.3	Very high	121 Å²	121	47.9 Å²	47.9	53%	0.526	26%	0.258	S	S	.	.	H	α-helix	trans	-65	-43.1	175.7	-68.4	169.5	-175.6	171	0	111.6	Q417 E418 L419 R424 A425	Q417-K421 WeakPolarHBondContact O-CG 3.31Å; Q417-K421 PolarHBondContact O-N 3.29Å; Q417-K421 VanDerWaalsContact O-N 3.17Å; E418-K421 WeakPolarHBondContact O-CB 3.31Å; E418-K421 PolarHBondContact O-N 3.18Å; L419-K421 VanDerWaalsContact C-N 3.3Å; L419-K421 PolarHBondContact O-N 3.2Å; K421-R424 PolarHBondContact O-N 3.08Å; K421-A425 PolarHBondContact O-N 2.93Å
422	D	97.1	Very high	95.2	Very high	81 Å²	81	50.8 Å²	50.8	43%	0.433	27%	0.273	S	S	.	.	H	α-helix	trans	-65	-42.7	178.4	-75.7	-11.4	0	0	0	111.9	T345 E418 L419 A425 V426	T345-D422 HydrophobicContact CG2-CB 3.98Å; E418-D422 PolarHBondContact O-N 3.16Å; L419-D422 PolarHBondContact O-N 3.39Å; D422-A425 WeakPolarHBondContact O-CB 3.02Å; D422-A425 PolarHBondContact O-N 3.4Å; D422-V426 WeakPolarHBondContact O-CG2 3.41Å; D422-V426 PolarHBondContact O-N 3.13Å
423	L	96.4	Very high	95.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.6	-39.6	176.8	-69.3	173.8	0	0	0	111.7	V348 V370 L374 L419 A425 V426 G427 V433	V348-L423 HydrophobicContact CB-CD2 4.14Å; V348-L423 HydrophobicContact CG1-CD2 4.05Å; V348-L423 HydrophobicContact CG2-CD2 3.96Å; V370-L423 HydrophobicContact CG1-CB 4.39Å; V370-L423 HydrophobicContact CG1-CD1 4.14Å; L374-L423 HydrophobicContact CD2-CD1 4.36Å; L419-L423 HydrophobicContact CD1-CD1 3.83Å; L419-L423 HydrophobicContact CD1-CD2 4.27Å; L419-L423 HydrophobicContact CD1-CG 3.79Å; L419-L423 HydrophobicContact CD2-CD1 4.23Å; L419-L423 HydrophobicContact CG-CD1 3.7Å; L419-L423 HydrophobicContact CG-CG 4.1Å; L419-L423 WeakPolarHBondContact O-CB 3.3Å; L419-L423 VanDerWaalsContact O-CG 3.27Å; L419-L423 WeakPolarHBondContact O-CG 3.43Å; L419-L423 PolarHBondContact O-N 3.07Å; L423-A425 VanDerWaalsContact C-N 3.31Å; L423-A425 PolarHBondContact O-N 3.34Å; L423-V426 PolarHBondContact O-N 2.88Å; L423-G427 PolarHBondContact O-N 3.26Å; L423-V433 HydrophobicContact CB-CG1 4.46Å
424	R	95.4	Very high	94.9	Very high	103 Å²	103	55.3 Å²	55.3	39%	0.389	29%	0.294	S	S	.	.	H	α-helix	trans	-61	-41.7	172.1	-175.2	-177	-62.3	143.3	7.7	111.8	A420 K421 V426 G427 E434	A420-R424 WeakPolarHBondContact O-CB 3.38Å; A420-R424 PolarHBondContact O-N 3.17Å; K421-R424 PolarHBondContact O-N 3.08Å; R424-V426 VanDerWaalsContact C-N 3.3Å; R424-V426 PolarHBondContact O-N 3.36Å; R424-G427 PolarHBondContact O-N 3.22Å; R424-E434 IonicContact CZ-OE1 2.8Å; R424-E434 IonicContact NH1-OE1 3.03Å; R424-E434 PolarHBondContact NH1-OE1 3.49Å; R424-E434 IonicContact NH1-OE2 2.68Å; R424-E434 IonicContact NH2-OE1 3.83Å; R424-E434 PolarHBondContact NH2-OE1 3.37Å; R424-E434 IonicContact NH2-OE2 2.92Å; R424-E434 PolarHBondContact NH2-OE2 3.19Å
425	A	95	Very high	94.8	Very high	90 Å²	90	56.8 Å²	56.8	74%	0.744	30%	0.304	S	S	*	.	H	α-helix	trans	-66.3	-31.3	179.1	0	0	0	0	0	112.9	K421 D422 L423	K421-A425 PolarHBondContact O-N 2.93Å; D422-A425 WeakPolarHBondContact O-CB 3.02Å; D422-A425 PolarHBondContact O-N 3.4Å; L423-A425 VanDerWaalsContact C-N 3.31Å; L423-A425 PolarHBondContact O-N 3.34Å
426	V	94	Very high	94.7	Very high	35 Å²	35	55 Å²	55	21%	0.212	30%	0.299	C	S	.	.	H	α-helix	trans	-73.8	-35.2	172.7	175	0	0	0	0	111.7	T345 V348 R349 A352 D422 L423 R424	T345-V426 HydrophobicContact CG2-CG2 3.94Å; V348-V426 HydrophobicContact CG1-CG1 4.06Å; R349-V426 HydrophobicContact CB-CG1 4.18Å; R349-V426 HydrophobicContact CB-CG2 4.35Å; R349-V426 HydrophobicContact CG-CG1 4.45Å; A352-V426 HydrophobicContact CB-CG1 4.1Å; D422-V426 WeakPolarHBondContact O-CG2 3.41Å; D422-V426 PolarHBondContact O-N 3.13Å; L423-V426 PolarHBondContact O-N 2.88Å; R424-V426 VanDerWaalsContact C-N 3.3Å; R424-V426 PolarHBondContact O-N 3.36Å
427	G	91.6	Very high	94.6	Very high	28 Å²	28	55.1 Å²	55.1	29%	0.289	30%	0.3	S	S	.	.			trans	118	117.9	178.3	0	0	0	0	0	111.7	M366 L423 R424	M366-G427 WeakPolarHBondContact CE-O 3.37Å; L423-G427 PolarHBondContact O-N 3.26Å; R424-G427 PolarHBondContact O-N 3.22Å
428	C	90	Very high	94.5	Very high	10 Å²	10	55 Å²	55	7%	0.068	30%	0.3	C	S	.	.			trans	-118.7	12.2	-176	57.1	0	0	0	0	113.9	A367 V370 L431 V433	A367-C428 WeakPolarHBondContact CA-O 3.48Å; V370-C428 HydrophobicContact CB-CB 4.33Å; V370-C428 HydrophobicContact CG1-CB 4.14Å; V370-C428 HydrophobicContact CG2-CB 4.1Å; C428-L431 WeakPolarHBondContact O-CB 3.39Å; C428-L431 PolarHBondContact O-N 2.88Å; C428-V433 HydrophobicContact CB-CG2 3.38Å; C428-V433 WeakPolarHBondContact SG-CG2 2.85Å
429	G	90.1	Very high	94.5	Very high	25 Å²	25	53.7 Å²	53.7	26%	0.258	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	-141.8	-173.9	0	0	0	0	0	112.1	L431	G429-L431 PolarHBondContact O-N 3.48Å
430	D	90.6	Very high	94.4	Very high	159 Å²	159	55.2 Å²	55.2	85%	0.85	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	8.2	179.1	-59.8	-32.1	0	0	0	113	D432	D430-D432 PolarHBondContact O-N 3.27Å
431	L	93.4	Very high	94.4	Very high	37 Å²	37	55.1 Å²	55.1	19%	0.194	31%	0.307	C	S	.	.			trans	-70.3	126	177.2	-178.3	67.6	0	0	0	110.1	A367 V370 Q371 C428 G429 V433 L436	A367-L431 HydrophobicContact CB-CB 4.1Å; V370-L431 HydrophobicContact CB-CD2 3.99Å; V370-L431 HydrophobicContact CG1-CD2 3.74Å; Q371-L431 HydrophobicContact CB-CD1 4.43Å; Q371-L431 HydrophobicContact CB-CD2 3.97Å; C428-L431 WeakPolarHBondContact O-CB 3.39Å; C428-L431 PolarHBondContact O-N 2.88Å; G429-L431 PolarHBondContact O-N 3.48Å; L431-V433 VanDerWaalsContact C-N 3.29Å; L431-V433 HydrophobicContact CB-CG2 4.39Å; L431-V433 HydrophobicContact CD2-CG2 3.92Å; L431-V433 HydrophobicContact CG-CG2 4.08Å; L431-V433 PolarHBondContact O-N 2.91Å; L431-L436 HydrophobicContact CD1-CD2 4.2Å; L431-L436 HydrophobicContact CD2-CD2 4.13Å
432	D	94.9	Very high	94.2	Very high	81 Å²	81	52 Å²	52	43%	0.433	30%	0.301	S	S	.	.			trans	-75.9	86.5	166.4	-160.9	-32.9	0	0	0	110	D430 E434 D435 L436	D430-D432 PolarHBondContact O-N 3.27Å; D432-E434 PolarHBondContact O-N 2.95Å; D432-E434 WeakPolarHBondContact OD1-CB 3.47Å; D432-E434 PolarHBondContact OD1-N 3.44Å; D432-E434 VanDerWaalsContact OD1-N 3.1Å; D432-D435 HydrophobicContact CB-CB 4.03Å; D432-D435 PolarHBondContact O-N 2.83Å; D432-D435 PolarHBondContact OD1-N 2.99Å; D432-L436 WeakPolarHBondContact O-CB 3.35Å; D432-L436 PolarHBondContact O-N 3.28Å
433	V	95.6	Very high	94	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	30%	0.301	C	S	.	.	H	α-helix	trans	-64.2	-28.2	179.9	178	0	0	0	0	111.6	V370 L374 A420 L423 C428 L431 T437	V370-V433 HydrophobicContact CG1-CG2 3.8Å; L374-V433 HydrophobicContact CD1-CG1 4.05Å; A420-V433 HydrophobicContact CB-CG1 3.83Å; L423-V433 HydrophobicContact CB-CG1 4.46Å; C428-V433 HydrophobicContact CB-CG2 3.38Å; C428-V433 WeakPolarHBondContact SG-CG2 2.85Å; L431-V433 VanDerWaalsContact C-N 3.29Å; L431-V433 HydrophobicContact CB-CG2 4.39Å; L431-V433 HydrophobicContact CD2-CG2 3.92Å; L431-V433 HydrophobicContact CG-CG2 4.08Å; L431-V433 PolarHBondContact O-N 2.91Å; V433-T437 VanDerWaalsContact O-CB 3.22Å; V433-T437 WeakPolarHBondContact O-CB 3.25Å; V433-T437 PolarHBondContact O-N 3.41Å; V433-T437 PolarHBondContact O-OG1 2.83Å
434	E	92.9	Very high	94	Very high	97 Å²	97	52.1 Å²	52.1	45%	0.453	31%	0.306	S	S	.	.	H	α-helix	trans	-72.1	-49.5	179.1	-109.7	165.6	-142.6	0	0	110.3	R424 D432 T437 E438	R424-E434 IonicContact CZ-OE1 2.8Å; R424-E434 IonicContact NH1-OE1 3.03Å; R424-E434 PolarHBondContact NH1-OE1 3.49Å; R424-E434 IonicContact NH1-OE2 2.68Å; R424-E434 IonicContact NH2-OE1 3.83Å; R424-E434 PolarHBondContact NH2-OE1 3.37Å; R424-E434 IonicContact NH2-OE2 2.92Å; R424-E434 PolarHBondContact NH2-OE2 3.19Å; D432-E434 PolarHBondContact O-N 2.95Å; D432-E434 WeakPolarHBondContact OD1-CB 3.47Å; D432-E434 PolarHBondContact OD1-N 3.44Å; D432-E434 VanDerWaalsContact OD1-N 3.1Å; E434-T437 WeakPolarHBondContact O-CB 3.5Å; E434-T437 PolarHBondContact O-N 3.49Å; E434-E438 WeakPolarHBondContact O-CB 3.34Å; E434-E438 PolarHBondContact O-N 3.42Å
435	D	94.6	Very high	93.9	Very high	110 Å²	110	48.2 Å²	48.2	59%	0.588	29%	0.291	S	S	*	.	H	α-helix	trans	-64.6	-41	176.9	-81.2	-4.3	0	0	0	111.9	D432 T437 E438 S439	D432-D435 HydrophobicContact CB-CB 4.03Å; D432-D435 PolarHBondContact O-N 2.83Å; D432-D435 PolarHBondContact OD1-N 2.99Å; D435-T437 VanDerWaalsContact C-N 3.33Å; D435-T437 PolarHBondContact O-N 2.98Å; D435-E438 PolarHBondContact O-N 3.33Å; D435-S439 WeakPolarHBondContact O-CB 3.38Å; D435-S439 PolarHBondContact O-N 3Å
436	L	95.7	Very high	93.8	Very high	25 Å²	25	49.9 Å²	49.9	13%	0.131	29%	0.288	C	S	.	.	H	α-helix	trans	-62.9	-42.5	175.5	-177.6	60.8	0	0	0	110.8	Q371 L374 E375 L431 D432 S439 L440	Q371-L436 HydrophobicContact CB-CD2 4.35Å; Q371-L436 HydrophobicContact CG-CD2 4.11Å; L374-L436 HydrophobicContact CB-CD2 4.02Å; L374-L436 HydrophobicContact CB-CG 4.42Å; L374-L436 HydrophobicContact CD1-CB 4.37Å; L374-L436 HydrophobicContact CD1-CD2 3.65Å; L374-L436 HydrophobicContact CD1-CG 4Å; L374-L436 HydrophobicContact CG-CD2 4.48Å; E375-L436 HydrophobicContact CG-CD1 4.33Å; L431-L436 HydrophobicContact CD1-CD2 4.2Å; L431-L436 HydrophobicContact CD2-CD2 4.13Å; D432-L436 WeakPolarHBondContact O-CB 3.35Å; D432-L436 PolarHBondContact O-N 3.28Å; L436-S439 WeakPolarHBondContact O-CB 3.3Å; L436-S439 PolarHBondContact O-N 2.84Å; L436-S439 PolarHBondContact O-OG 3.49Å; L436-L440 WeakPolarHBondContact O-CG 3.31Å; L436-L440 PolarHBondContact O-N 3.37Å
437	T	95.4	Very high	93.7	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.018	30%	0.296	C	S	.	.	H	α-helix	trans	-61.6	-44.5	175.1	-63	0	0	0	0	111.4	T416 A420 V433 E434 D435 S439 L440 F441	T416-T437 HydrophobicContact CG2-CG2 3.71Å; A420-T437 HydrophobicContact CB-CG2 4.32Å; A420-T437 WeakPolarHBondContact CB-OG1 3.35Å; V433-T437 VanDerWaalsContact O-CB 3.22Å; V433-T437 WeakPolarHBondContact O-CB 3.25Å; V433-T437 PolarHBondContact O-N 3.41Å; V433-T437 PolarHBondContact O-OG1 2.83Å; E434-T437 WeakPolarHBondContact O-CB 3.5Å; E434-T437 PolarHBondContact O-N 3.49Å; D435-T437 VanDerWaalsContact C-N 3.33Å; D435-T437 PolarHBondContact O-N 2.98Å; T437-S439 VanDerWaalsContact C-N 3.28Å; T437-S439 PolarHBondContact O-N 2.78Å; T437-L440 WeakPolarHBondContact O-CB 3.37Å; T437-L440 PolarHBondContact O-N 3.14Å; T437-F441 WeakPolarHBondContact O-CD2 3.33Å
438	E	94.7	Very high	93.9	Very high	60 Å²	60	50.9 Å²	50.9	28%	0.28	28%	0.282	S	S	.	.	H	α-helix	trans	-61.4	-38.6	177.7	-172.1	63.1	-164.2	0	0	111.5	Y413 E434 D435 L440 F441 S442 K445	Y413-E438 WeakPolarHBondContact CE2-OE2 3.23Å; Y413-E438 PolarHBondContact OH-OE2 3.44Å; E434-E438 WeakPolarHBondContact O-CB 3.34Å; E434-E438 PolarHBondContact O-N 3.42Å; D435-E438 PolarHBondContact O-N 3.33Å; E438-L440 VanDerWaalsContact C-N 3.26Å; E438-L440 PolarHBondContact O-N 2.72Å; E438-F441 PolarHBondContact O-N 2.78Å; E438-F441 VanDerWaalsContact O-N 3.08Å; E438-S442 PolarHBondContact O-N 3.13Å; E438-K445 VanDerWaalsContact CD-NZ 3.32Å; E438-K445 VanDerWaalsContact OE1-CD 3.27Å; E438-K445 WeakPolarHBondContact OE1-CD 3.31Å; E438-K445 WeakPolarHBondContact OE1-CE 3.34Å; E438-K445 IonicContact OE1-NZ 3.98Å; E438-K445 PolarHBondContact OE1-NZ 3.24Å; E438-K445 IonicContact OE2-NZ 3.35Å; E438-K445 PolarHBondContact OE2-NZ 3.27Å; E438-K445 VanDerWaalsContact OE2-NZ 3.17Å
439	S	95.7	Very high	94.1	Very high	58 Å²	58	51.6 Å²	51.6	41%	0.406	29%	0.287	S	S	.	.	H	α-helix	trans	-61.1	-31.5	178.5	81.7	0	0	0	0	113.5	D435 L436 T437 F441 S442	D435-S439 WeakPolarHBondContact O-CB 3.38Å; D435-S439 PolarHBondContact O-N 3Å; L436-S439 WeakPolarHBondContact O-CB 3.3Å; L436-S439 PolarHBondContact O-N 2.84Å; L436-S439 PolarHBondContact O-OG 3.49Å; T437-S439 VanDerWaalsContact C-N 3.28Å; T437-S439 PolarHBondContact O-N 2.78Å; S439-F441 PolarHBondContact O-N 2.93Å; S439-S442 PolarHBondContact O-N 3.5Å; S439-S442 PolarHBondContact O-OG 3Å
440	L	96.4	Very high	94.4	Very high	33 Å²	33	54.9 Å²	54.9	17%	0.173	30%	0.296	C	S	.	.	H	α-helix	trans	-63.6	-25.1	177.1	-58.4	-175.5	0	0	0	112.7	L374 V378 T379 L382 L436 T437 E438	L374-L440 HydrophobicContact CB-CD1 4.46Å; L374-L440 HydrophobicContact CD2-CD1 4.48Å; V378-L440 HydrophobicContact CG1-CD1 4.21Å; T379-L440 WeakPolarHBondContact OG1-CD2 3.38Å; L382-L440 HydrophobicContact CD1-CB 4.34Å; L382-L440 HydrophobicContact CD1-CD1 4.2Å; L436-L440 WeakPolarHBondContact O-CG 3.31Å; L436-L440 PolarHBondContact O-N 3.37Å; T437-L440 WeakPolarHBondContact O-CB 3.37Å; T437-L440 PolarHBondContact O-N 3.14Å; E438-L440 VanDerWaalsContact C-N 3.26Å; E438-L440 PolarHBondContact O-N 2.72Å
441	F	96.5	Very high	94.7	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-108.9	-4.6	-176.9	-65	-89.6	0	0	0	113.7	L382 L386 L409 A412 Y413 T416 T437 E438 S439 S443 H444 K445	L382-F441 HydrophobicContact CD1-CE1 4.25Å; L382-F441 HydrophobicContact CD1-CE2 4Å; L382-F441 HydrophobicContact CD1-CZ 3.62Å; L382-F441 HydrophobicContact CD2-CE1 4.2Å; L382-F441 HydrophobicContact CD2-CZ 3.89Å; L382-F441 HydrophobicContact CG-CZ 4.44Å; L386-F441 HydrophobicContact CD1-CD1 4.22Å; L386-F441 HydrophobicContact CD1-CE1 3.84Å; L409-F441 HydrophobicContact CD1-CD1 3.85Å; L409-F441 HydrophobicContact CD1-CE1 4.33Å; A412-F441 HydrophobicContact CB-CE1 4.1Å; A412-F441 HydrophobicContact CB-CZ 4.44Å; Y413-F441 HydrophobicContact CD2-CB 4.03Å; Y413-F441 AromaticContact CD2-CD1 3.99Å; Y413-F441 HydrophobicContact CD2-CD1 3.99Å; Y413-F441 AromaticContact CD2-CD2 3.62Å; Y413-F441 HydrophobicContact CD2-CD2 3.62Å; Y413-F441 HydrophobicContact CD2-CE1 4.34Å; Y413-F441 HydrophobicContact CD2-CE2 4.02Å; Y413-F441 AromaticContact CD2-CG 3.61Å; Y413-F441 HydrophobicContact CD2-CG 3.61Å; Y413-F441 HydrophobicContact CD2-CZ 4.36Å; Y413-F441 HydrophobicContact CE2-CB 4.33Å; Y413-F441 HydrophobicContact CE2-CD2 4.12Å; Y413-F441 HydrophobicContact CE2-CG 4.27Å; T416-F441 HydrophobicContact CG2-CE2 4.01Å; T416-F441 HydrophobicContact CG2-CZ 4.44Å; T437-F441 WeakPolarHBondContact O-CD2 3.33Å; E438-F441 PolarHBondContact O-N 2.78Å; E438-F441 VanDerWaalsContact O-N 3.08Å; S439-F441 PolarHBondContact O-N 2.93Å; F441-S443 VanDerWaalsContact C-N 3.34Å; F441-S443 PolarHBondContact O-N 3.39Å; F441-H444 PolarHBondContact O-N 3.29Å; F441-K445 HydrophobicContact CB-CG 4.36Å; F441-K445 PolarHBondContact O-N 3.32Å
442	S	93.4	Very high	94.9	Very high	56 Å²	56	45.6 Å²	45.6	39%	0.392	25%	0.246	S	C	.	.	H	α-helix	trans	-47.2	-52.8	-177.3	55.7	0	0	0	0	112.9	E438 S439 H444 K445 D446	E438-S442 PolarHBondContact O-N 3.13Å; S439-S442 PolarHBondContact O-N 3.5Å; S439-S442 PolarHBondContact O-OG 3Å; S442-H444 VanDerWaalsContact C-N 3.27Å; S442-H444 PolarHBondContact O-N 3.19Å; S442-K445 PolarHBondContact O-N 2.85Å; S442-D446 VanDerWaalsContact O-CG 3.22Å; S442-D446 PolarHBondContact O-N 3.34Å
443	S	92.8	Very high	95.1	Very high	62 Å²	62	46.7 Å²	46.7	43%	0.434	24%	0.244	S	C	.	.	H	α-helix	trans	-61	-31.3	179.6	67.7	0	0	0	0	114.3	F441	F441-S443 VanDerWaalsContact C-N 3.34Å; F441-S443 PolarHBondContact O-N 3.39Å
444	H	95.1	Very high	95.2	Very high	21 Å²	21	48 Å²	48	10%	0.097	26%	0.255	C	S	.	.	H	α-helix	trans	-83	-34.9	178.2	-68.1	-81.9	0	0	0	111.8	L386 Y405 L409 F441 S442 Y448	L386-H444 PolarHBondContact O-CE1 2.95Å; Y405-H444 AromaticContact CE2-ND1 3.93Å; Y405-H444 AromaticContact CZ-ND1 3.78Å; Y405-H444 PolarHBondContact OH-ND1 2.97Å; L409-H444 HydrophobicContact CD1-CB 3.68Å; L409-H444 HydrophobicContact CD2-CB 4.15Å; F441-H444 PolarHBondContact O-N 3.29Å; S442-H444 VanDerWaalsContact C-N 3.27Å; S442-H444 PolarHBondContact O-N 3.19Å; H444-Y448 WeakPolarHBondContact O-CB 3.48Å; H444-Y448 PolarHBondContact O-N 3.17Å
445	K	94.1	Very high	95.4	Very high	21 Å²	21	43.5 Å²	43.5	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-71.7	-37.2	178.1	-78.2	-171.1	166.6	-160.4	0	112.8	Y413 E438 F441 S442 E447 Y448 F518	Y413-K445 VanDerWaalsContact CZ-CE 3.47Å; Y413-K445 PolarHBondContact OH-NZ 3.3Å; E438-K445 VanDerWaalsContact CD-NZ 3.32Å; E438-K445 VanDerWaalsContact OE1-CD 3.27Å; E438-K445 WeakPolarHBondContact OE1-CD 3.31Å; E438-K445 WeakPolarHBondContact OE1-CE 3.34Å; E438-K445 IonicContact OE1-NZ 3.98Å; E438-K445 PolarHBondContact OE1-NZ 3.24Å; E438-K445 IonicContact OE2-NZ 3.35Å; E438-K445 PolarHBondContact OE2-NZ 3.27Å; E438-K445 VanDerWaalsContact OE2-NZ 3.17Å; F441-K445 HydrophobicContact CB-CG 4.36Å; F441-K445 PolarHBondContact O-N 3.32Å; S442-K445 PolarHBondContact O-N 2.85Å; K445-E447 VanDerWaalsContact C-N 3.25Å; K445-E447 PolarHBondContact O-N 2.85Å; K445-Y448 WeakPolarHBondContact O-CB 3.46Å; K445-Y448 PolarHBondContact O-N 2.89Å; K445-F518 HydrophobicContact CG-CB 4.48Å; K445-F518 PolarHBondContact NZ-O 2.84Å
446	D	92.4	Very high	95.6	Very high	125 Å²	125	38.3 Å²	38.3	67%	0.668	21%	0.207	S	C	*	.	H	α-helix	trans	-61.6	-35.4	-178.7	-72.1	-19.3	0	0	0	112.4	S442	S442-D446 VanDerWaalsContact O-CG 3.22Å; S442-D446 PolarHBondContact O-N 3.34Å
447	E	92.1	Very high	95.6	Very high	81 Å²	81	42.3 Å²	42.3	38%	0.379	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	0.1	179.8	-65	-179.1	-148.4	0	0	113.9	K388 K445 P449 E450 H451	K388-E447 WeakPolarHBondContact CE-OE2 3.49Å; K388-E447 IonicContact NZ-OE1 2.82Å; K388-E447 PolarHBondContact NZ-OE1 2.97Å; K388-E447 IonicContact NZ-OE2 3.19Å; K388-E447 PolarHBondContact NZ-OE2 3.04Å; K445-E447 VanDerWaalsContact C-N 3.25Å; K445-E447 PolarHBondContact O-N 2.85Å; E447-P449 VanDerWaalsContact C-CD 3.43Å; E447-E450 VanDerWaalsContact C-OE2 3.31Å; E447-E450 WeakPolarHBondContact CA-OE2 3.13Å; E447-E450 PolarHBondContact O-N 3.42Å; E447-E450 VanDerWaalsContact O-OE2 3.14Å; E447-H451 PolarHBondContact O-N 2.83Å; E447-H451 PolarHBondContact O-ND1 2.78Å; E447-H451 IonicContact OE2-CE1 2.74Å
448	Y	95.3	Very high	95.7	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-53.5	-46	179.9	157.6	-98.6	0	0	0	112.8	L406 H444 K445 E450 H451 E452 A511 R514 C515 F518	L406-Y448 HydrophobicContact CD2-CD2 3.66Å; L406-Y448 HydrophobicContact CD2-CE2 3.83Å; H444-Y448 WeakPolarHBondContact O-CB 3.48Å; H444-Y448 PolarHBondContact O-N 3.17Å; K445-Y448 WeakPolarHBondContact O-CB 3.46Å; K445-Y448 PolarHBondContact O-N 2.89Å; Y448-E450 VanDerWaalsContact C-N 3.28Å; Y448-E450 PolarHBondContact O-N 3.37Å; Y448-H451 PolarHBondContact O-N 3.36Å; Y448-H451 VanDerWaalsContact O-N 3.13Å; Y448-E452 HydrophobicContact CE2-CB 3.97Å; Y448-E452 HydrophobicContact CE2-CG 4.25Å; Y448-E452 WeakPolarHBondContact CE2-OE2 3.47Å; Y448-E452 WeakPolarHBondContact O-CB 3.37Å; Y448-E452 PolarHBondContact O-N 3.28Å; Y448-E452 PolarHBondContact OH-OE2 3.46Å; Y448-A511 PolarHBondContact OH-O 2.98Å; Y448-R514 HydrophobicContact CE2-CB 4.14Å; Y448-R514 WeakPolarHBondContact OH-CB 3.43Å; Y448-C515 HydrophobicContact CE1-CB 4.45Å; Y448-C515 WeakPolarHBondContact OH-CA 3.34Å; Y448-C515 PolarHBondContact OH-N 3.42Å; Y448-C515 VanDerWaalsContact OH-N 3.1Å; Y448-F518 HydrophobicContact CD1-CB 4.32Å; Y448-F518 AromaticContact CD1-CD2 3.94Å; Y448-F518 HydrophobicContact CD1-CD2 3.94Å; Y448-F518 AromaticContact CD2-CD2 3.47Å; Y448-F518 HydrophobicContact CD2-CD2 3.47Å; Y448-F518 VanDerWaalsContact CD2-CD2 3.47Å; Y448-F518 AromaticContact CD2-CE2 3.61Å; Y448-F518 HydrophobicContact CD2-CE2 3.61Å; Y448-F518 AromaticContact CE1-CD2 3.9Å; Y448-F518 HydrophobicContact CE1-CD2 3.9Å; Y448-F518 AromaticContact CE2-CD2 3.42Å; Y448-F518 HydrophobicContact CE2-CD2 3.42Å; Y448-F518 VanDerWaalsContact CE2-CD2 3.42Å; Y448-F518 AromaticContact CE2-CE2 3.52Å; Y448-F518 HydrophobicContact CE2-CE2 3.52Å; Y448-F518 AromaticContact CG-CD2 3.74Å; Y448-F518 HydrophobicContact CG-CD2 3.74Å; Y448-F518 HydrophobicContact CG-CE2 4.31Å; Y448-F518 AromaticContact CZ-CD2 3.66Å
449	P	95.4	Very high	95.8	Very high	25 Å²	25	41.5 Å²	41.5	16%	0.162	22%	0.22	C	C	.	.	H	α-helix	trans	-59	-37.3	-177.2	-25.3	36.1	0	0	0	113.2	E447 R453	E447-P449 VanDerWaalsContact C-CD 3.43Å; P449-R453 VanDerWaalsContact O-CG 3.25Å; P449-R453 WeakPolarHBondContact O-CG 3.43Å; P449-R453 PolarHBondContact O-N 3.22Å; P449-R453 VanDerWaalsContact O-N 3.13Å
450	E	96.1	Very high	95.9	Very high	95 Å²	95	40.5 Å²	40.5	44%	0.444	21%	0.207	S	C	.	.	H	α-helix	trans	-67.4	-44.2	176.6	-68.2	72.9	-159.4	0	0	111.6	L391 E447 Y448 R453 A454	L391-E450 HydrophobicContact CD1-CB 3.86Å; E447-E450 VanDerWaalsContact C-OE2 3.31Å; E447-E450 WeakPolarHBondContact CA-OE2 3.13Å; E447-E450 PolarHBondContact O-N 3.42Å; E447-E450 VanDerWaalsContact O-OE2 3.14Å; Y448-E450 VanDerWaalsContact C-N 3.28Å; Y448-E450 PolarHBondContact O-N 3.37Å; E450-R453 PolarHBondContact O-N 2.92Å; E450-A454 VanDerWaalsContact O-CB 3.29Å; E450-A454 WeakPolarHBondContact O-CB 3.45Å; E450-A454 PolarHBondContact O-N 3.25Å
451	H	96.8	Very high	95.9	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-65.2	-40.8	178.7	-70.7	78.2	0	0	0	111.8	L391 Y405 L406 E447 Y448 A454 S455	L391-H451 HydrophobicContact CD2-CB 4.43Å; Y405-H451 AromaticContact CE1-CD2 3.98Å; L406-H451 HydrophobicContact CD2-CB 3.94Å; E447-H451 PolarHBondContact O-N 2.83Å; E447-H451 PolarHBondContact O-ND1 2.78Å; E447-H451 IonicContact OE2-CE1 2.74Å; Y448-H451 PolarHBondContact O-N 3.36Å; Y448-H451 VanDerWaalsContact O-N 3.13Å; H451-A454 PolarHBondContact O-N 3.38Å; H451-S455 WeakPolarHBondContact O-CB 3.44Å; H451-S455 PolarHBondContact O-N 3.32Å
452	E	97.9	Very high	95.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.4	-48.3	176.9	-168.9	70.9	-111.7	0	0	111	L406 Y448 A454 S455 L456 A511 R514 I532	L406-E452 HydrophobicContact CD1-CB 4.41Å; Y448-E452 HydrophobicContact CE2-CB 3.97Å; Y448-E452 HydrophobicContact CE2-CG 4.25Å; Y448-E452 WeakPolarHBondContact CE2-OE2 3.47Å; Y448-E452 WeakPolarHBondContact O-CB 3.37Å; Y448-E452 PolarHBondContact O-N 3.28Å; Y448-E452 PolarHBondContact OH-OE2 3.46Å; E452-A454 VanDerWaalsContact C-N 3.34Å; E452-A454 PolarHBondContact O-N 2.84Å; E452-S455 WeakPolarHBondContact O-CB 3.31Å; E452-S455 PolarHBondContact O-N 3.24Å; E452-L456 WeakPolarHBondContact O-CG 3.3Å; E452-L456 PolarHBondContact O-N 2.88Å; E452-A511 HydrophobicContact CG-CB 3.85Å; E452-A511 VanDerWaalsContact OE1-CB 3.25Å; E452-A511 WeakPolarHBondContact OE1-CB 3.48Å; E452-R514 IonicContact OE1-CZ 3.87Å; E452-R514 IonicContact OE1-NE 3.98Å; E452-R514 PolarHBondContact OE1-NE 3.44Å; E452-R514 IonicContact OE1-NH2 3.17Å; E452-R514 PolarHBondContact OE1-NH2 2.99Å; E452-R514 IonicContact OE2-CZ 3.71Å; E452-R514 IonicContact OE2-NE 2.65Å; E452-R514 PolarHBondContact OE2-NE 3.06Å; E452-R514 IonicContact OE2-NH2 2.67Å; E452-I532 HydrophobicContact CG-CD1 3.94Å; E452-I532 HydrophobicContact CG-CG1 4.18Å
453	R	97.6	Very high	95.9	Very high	104 Å²	104	44.6 Å²	44.6	39%	0.392	22%	0.224	S	C	.	.	H	α-helix	trans	-63.5	-39.7	177.1	-69.9	173.8	62.1	-164.1	-1.7	112.4	P449 E450 K457	P449-R453 VanDerWaalsContact O-CG 3.25Å; P449-R453 WeakPolarHBondContact O-CG 3.43Å; P449-R453 PolarHBondContact O-N 3.22Å; P449-R453 VanDerWaalsContact O-N 3.13Å; E450-R453 PolarHBondContact O-N 2.92Å; R453-K457 WeakPolarHBondContact O-CG 3.26Å; R453-K457 PolarHBondContact O-N 3.14Å; R453-K457 VanDerWaalsContact O-N 3.14Å
454	A	97.5	Very high	96	Very high	29 Å²	29	42 Å²	42	24%	0.24	21%	0.205	C	C	.	.	H	α-helix	trans	-66.1	-39.6	176	0	0	0	0	0	111.5	L391 L402 E450 H451 E452 K457 Q458	L391-A454 HydrophobicContact CD2-CB 3.83Å; L402-A454 HydrophobicContact CD1-CB 3.49Å; L402-A454 VanDerWaalsContact CD1-CB 3.49Å; E450-A454 VanDerWaalsContact O-CB 3.29Å; E450-A454 WeakPolarHBondContact O-CB 3.45Å; E450-A454 PolarHBondContact O-N 3.25Å; H451-A454 PolarHBondContact O-N 3.38Å; E452-A454 VanDerWaalsContact C-N 3.34Å; E452-A454 PolarHBondContact O-N 2.84Å; A454-K457 PolarHBondContact O-N 3.09Å; A454-Q458 WeakPolarHBondContact O-CB 3.44Å; A454-Q458 PolarHBondContact O-N 3.09Å
455	S	97.8	Very high	95.8	Very high	1 Å²	1	47 Å²	47	1%	0.007	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-47.1	174.9	-176.2	0	0	0	0	111.9	L403 H451 E452 K457 Q458 L459	L403-S455 WeakPolarHBondContact CA-OG 3.32Å; L403-S455 WeakPolarHBondContact CB-OG 3.38Å; L403-S455 PolarHBondContact N-OG 3.28Å; H451-S455 WeakPolarHBondContact O-CB 3.44Å; H451-S455 PolarHBondContact O-N 3.32Å; E452-S455 WeakPolarHBondContact O-CB 3.31Å; E452-S455 PolarHBondContact O-N 3.24Å; S455-K457 VanDerWaalsContact C-N 3.3Å; S455-K457 PolarHBondContact O-N 3.49Å; S455-Q458 WeakPolarHBondContact O-CB 3.25Å; S455-Q458 PolarHBondContact O-N 3.45Å; S455-Q458 VanDerWaalsContact O-N 3.07Å; S455-L459 WeakPolarHBondContact O-CG 3.46Å; S455-L459 PolarHBondContact O-N 3.46Å
456	L	98.2	Very high	95.7	Very high	2 Å²	2	50 Å²	50	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-60.4	-39.2	176.4	-70.4	172.7	0	0	0	112.4	E452 Y460 W507 A511 I532 C535 Q539	E452-L456 WeakPolarHBondContact O-CG 3.3Å; E452-L456 PolarHBondContact O-N 2.88Å; L456-Y460 WeakPolarHBondContact O-CB 3.45Å; L456-Y460 PolarHBondContact O-N 2.75Å; L456-W507 HydrophobicContact CD2-CB 3.89Å; L456-A511 HydrophobicContact CD1-CB 4.19Å; L456-A511 HydrophobicContact CD2-CB 4.3Å; L456-I532 HydrophobicContact CD1-CG2 4.01Å; L456-C535 HydrophobicContact CD1-CB 4.27Å; L456-Q539 PolarHBondContact O-NE2 2.89Å
457	K	97.1	Very high	95.6	Very high	108 Å²	108	46 Å²	46	47%	0.47	22%	0.221	S	C	.	.	H	α-helix	trans	-65.1	-40.1	173.8	-72.7	174.8	-179.6	-178.6	0	111.9	R453 A454 S455 Y460 Q461	R453-K457 WeakPolarHBondContact O-CG 3.26Å; R453-K457 PolarHBondContact O-N 3.14Å; R453-K457 VanDerWaalsContact O-N 3.14Å; A454-K457 PolarHBondContact O-N 3.09Å; S455-K457 VanDerWaalsContact C-N 3.3Å; S455-K457 PolarHBondContact O-N 3.49Å; K457-Y460 PolarHBondContact O-N 2.94Å; K457-Q461 WeakPolarHBondContact O-CB 3.44Å; K457-Q461 VanDerWaalsContact O-CG 3.29Å; K457-Q461 WeakPolarHBondContact O-CG 3.42Å; K457-Q461 PolarHBondContact O-N 3.49Å
458	Q	96.6	Very high	95.3	Very high	23 Å²	23	48.2 Å²	48.2	11%	0.107	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-44.8	178.5	-157.5	-171.6	19.7	0	0	111.6	P395 V397 L402 A454 S455 Q461 A462	P395-Q458 PolarHBondContact O-NE2 3.42Å; V397-Q458 HydrophobicContact CG2-CB 4.43Å; V397-Q458 VanDerWaalsContact CG2-CD 3.42Å; V397-Q458 HydrophobicContact CG2-CG 3.42Å; V397-Q458 VanDerWaalsContact CG2-CG 3.42Å; L402-Q458 VanDerWaalsContact N-OE1 3.08Å; A454-Q458 WeakPolarHBondContact O-CB 3.44Å; A454-Q458 PolarHBondContact O-N 3.09Å; S455-Q458 WeakPolarHBondContact O-CB 3.25Å; S455-Q458 PolarHBondContact O-N 3.45Å; S455-Q458 VanDerWaalsContact O-N 3.07Å; Q458-Q461 PolarHBondContact O-N 3.23Å; Q458-A462 WeakPolarHBondContact O-CB 3.37Å; Q458-A462 PolarHBondContact O-N 3.33Å
459	L	97.4	Very high	94.9	Very high	24 Å²	24	50.1 Å²	50.1	13%	0.126	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-44.9	175.5	-68.3	171.7	0	0	0	111.6	L403 S455 A462 K463 W507	L403-L459 HydrophobicContact CD2-CD1 4.12Å; L403-L459 HydrophobicContact CD2-CD2 4.16Å; S455-L459 WeakPolarHBondContact O-CG 3.46Å; S455-L459 PolarHBondContact O-N 3.46Å; L459-A462 PolarHBondContact O-N 2.95Å; L459-K463 WeakPolarHBondContact O-CB 3.49Å; L459-K463 PolarHBondContact O-N 3.35Å; L459-W507 HydrophobicContact CB-CD2 3.97Å; L459-W507 HydrophobicContact CB-CE3 3.66Å; L459-W507 HydrophobicContact CB-CH2 4.11Å; L459-W507 HydrophobicContact CB-CZ2 4.38Å; L459-W507 HydrophobicContact CB-CZ3 3.73Å; L459-W507 HydrophobicContact CD1-CB 4.09Å; L459-W507 HydrophobicContact CD1-CD2 3.92Å; L459-W507 HydrophobicContact CD1-CE3 4.27Å; L459-W507 HydrophobicContact CD1-CG 3.83Å; L459-W507 HydrophobicContact CG-CD2 4.5Å
460	Y	97.2	Very high	94.3	Very high	36 Å²	36	52.8 Å²	52.8	14%	0.141	25%	0.253	C	S	.	.	H	α-helix	trans	-59.1	-48	175.1	174.3	-98.3	0	0	0	111.9	L456 K457 A462 K463 M464 F504 Q539 V542	L456-Y460 WeakPolarHBondContact O-CB 3.45Å; L456-Y460 PolarHBondContact O-N 2.75Å; K457-Y460 PolarHBondContact O-N 2.94Å; Y460-A462 PolarHBondContact O-N 3.12Å; Y460-K463 PolarHBondContact O-N 2.87Å; Y460-M464 HydrophobicContact CD1-CG 4.28Å; Y460-M464 HydrophobicContact CD2-CG 4.2Å; Y460-M464 HydrophobicContact CE1-CG 3.9Å; Y460-M464 HydrophobicContact CE2-CG 3.82Å; Y460-M464 HydrophobicContact CE2-SD 4.11Å; Y460-M464 HydrophobicContact CG-CG 4.42Å; Y460-M464 WeakPolarHBondContact O-CB 3.41Å; Y460-M464 VanDerWaalsContact O-CG 3.23Å; Y460-M464 WeakPolarHBondContact O-CG 3.38Å; Y460-M464 PolarHBondContact O-N 3.47Å; Y460-F504 AromaticContact CD2-CE1 3.94Å; Y460-F504 HydrophobicContact CD2-CE1 3.94Å; Y460-F504 AromaticContact CD2-CE2 3.96Å; Y460-F504 HydrophobicContact CD2-CE2 3.96Å; Y460-F504 AromaticContact CD2-CZ 3.51Å; Y460-F504 HydrophobicContact CD2-CZ 3.51Å; Y460-F504 AromaticContact CE2-CE2 3.89Å; Y460-F504 HydrophobicContact CE2-CE2 3.89Å; Y460-F504 AromaticContact CE2-CZ 3.65Å; Y460-F504 HydrophobicContact CE2-CZ 3.65Å; Y460-Q539 HydrophobicContact CD1-CG 4.32Å; Y460-Q539 HydrophobicContact CD2-CB 3.65Å; Y460-Q539 HydrophobicContact CD2-CG 3.57Å; Y460-Q539 HydrophobicContact CE2-CB 3.84Å; Y460-Q539 HydrophobicContact CE2-CG 4.08Å; Y460-Q539 HydrophobicContact CG-CB 4.31Å; Y460-Q539 HydrophobicContact CG-CG 3.7Å; Y460-V542 WeakPolarHBondContact OH-CG1 3.4Å
461	Q	96	Very high	93.4	Very high	117 Å²	117	49.6 Å²	49.6	55%	0.547	24%	0.241	S	C	.	.	H	α-helix	trans	-60	-48.3	178.7	-75	170.9	-9.9	0	0	111.8	K457 Q458 K463 M464 E465	K457-Q461 WeakPolarHBondContact O-CB 3.44Å; K457-Q461 VanDerWaalsContact O-CG 3.29Å; K457-Q461 WeakPolarHBondContact O-CG 3.42Å; K457-Q461 PolarHBondContact O-N 3.49Å; Q458-Q461 PolarHBondContact O-N 3.23Å; Q461-K463 VanDerWaalsContact C-N 3.34Å; Q461-K463 PolarHBondContact O-N 3.39Å; Q461-M464 PolarHBondContact O-N 2.89Å; Q461-E465 WeakPolarHBondContact O-CG 3.48Å; Q461-E465 PolarHBondContact O-N 3.1Å
462	A	95.8	Very high	92.4	Very high	28 Å²	28	55.7 Å²	55.7	23%	0.231	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-43	178.1	0	0	0	0	0	111.9	V397 Q458 L459 Y460 M464 E465 E466	V397-A462 HydrophobicContact CB-CB 4.35Å; V397-A462 HydrophobicContact CG1-CB 4.21Å; V397-A462 HydrophobicContact CG2-CB 4.08Å; Q458-A462 WeakPolarHBondContact O-CB 3.37Å; Q458-A462 PolarHBondContact O-N 3.33Å; L459-A462 PolarHBondContact O-N 2.95Å; Y460-A462 PolarHBondContact O-N 3.12Å; A462-M464 PolarHBondContact O-N 2.94Å; A462-E465 PolarHBondContact O-N 3.45Å; A462-E466 WeakPolarHBondContact O-CB 3.29Å; A462-E466 PolarHBondContact O-N 3.2Å
463	K	95.2	Very high	91.2	Very high	31 Å²	31	62 Å²	62	14%	0.135	30%	0.299	C	S	.	.	H	α-helix	trans	-67	-37.5	177.4	-172.1	61.1	173.3	-179.9	0	112.6	L459 Y460 Q461 E465 E466 L467 V500 D503 F504 W507	L459-K463 WeakPolarHBondContact O-CB 3.49Å; L459-K463 PolarHBondContact O-N 3.35Å; Y460-K463 PolarHBondContact O-N 2.87Å; Q461-K463 VanDerWaalsContact C-N 3.34Å; Q461-K463 PolarHBondContact O-N 3.39Å; K463-E465 VanDerWaalsContact C-N 3.33Å; K463-E466 VanDerWaalsContact CD-OE2 3.29Å; K463-E466 WeakPolarHBondContact CD-OE2 3.32Å; K463-E466 IonicContact NZ-OE1 3.39Å; K463-E466 PolarHBondContact NZ-OE1 3.5Å; K463-E466 IonicContact NZ-OE2 2.82Å; K463-E466 PolarHBondContact NZ-OE2 3.32Å; K463-E466 WeakPolarHBondContact O-CB 3.38Å; K463-E466 PolarHBondContact O-N 2.97Å; K463-L467 VanDerWaalsContact O-CG 3.25Å; K463-L467 WeakPolarHBondContact O-CG 3.3Å; K463-L467 PolarHBondContact O-N 3.38Å; K463-V500 HydrophobicContact CG-CG1 4.44Å; K463-D503 IonicContact NZ-OD2 2.77Å; K463-F504 HydrophobicContact CG-CE1 4.26Å; K463-W507 HydrophobicContact CB-CH2 3.59Å; K463-W507 HydrophobicContact CB-CZ2 4.36Å; K463-W507 HydrophobicContact CG-CH2 3.92Å
464	M	94.1	Very high	89.5	Confident	9 Å²	9	58.9 Å²	58.9	4%	0.044	29%	0.291	C	S	.	.	H	α-helix	trans	-69.2	-31.8	174.9	-67	-57.1	-67.3	0	0	112.1	Y460 Q461 A462 L467 R468 Y543	Y460-M464 HydrophobicContact CD1-CG 4.28Å; Y460-M464 HydrophobicContact CD2-CG 4.2Å; Y460-M464 HydrophobicContact CE1-CG 3.9Å; Y460-M464 HydrophobicContact CE2-CG 3.82Å; Y460-M464 HydrophobicContact CE2-SD 4.11Å; Y460-M464 HydrophobicContact CG-CG 4.42Å; Y460-M464 WeakPolarHBondContact O-CB 3.41Å; Y460-M464 VanDerWaalsContact O-CG 3.23Å; Y460-M464 WeakPolarHBondContact O-CG 3.38Å; Y460-M464 PolarHBondContact O-N 3.47Å; Q461-M464 PolarHBondContact O-N 2.89Å; A462-M464 PolarHBondContact O-N 2.94Å; M464-L467 HydrophobicContact SD-CD1 4.13Å; M464-R468 VanDerWaalsContact O-CG 3.22Å; M464-R468 WeakPolarHBondContact O-CG 3.36Å; M464-R468 PolarHBondContact O-N 3.13Å; M464-R468 PolarHBondContact O-NH1 3.39Å; M464-R468 VanDerWaalsContact O-NH1 3.14Å; M464-Y543 HydrophobicContact CE-CD2 3.98Å; M464-Y543 HydrophobicContact CE-CE2 4.5Å; M464-Y543 HydrophobicContact SD-CD2 3.72Å; M464-Y543 HydrophobicContact SD-CE2 4.19Å
465	E	92.2	Very high	87.7	Confident	124 Å²	124	60.5 Å²	60.5	58%	0.579	30%	0.3	S	S	*	.	H	α-helix	trans	-69.7	-42.7	171.6	-74.4	174	-173.5	0	0	112.4	Q461 A462 K463 L467 R468 A469	Q461-E465 WeakPolarHBondContact O-CG 3.48Å; Q461-E465 PolarHBondContact O-N 3.1Å; A462-E465 PolarHBondContact O-N 3.45Å; K463-E465 VanDerWaalsContact C-N 3.33Å; E465-L467 PolarHBondContact O-N 3.48Å; E465-R468 PolarHBondContact O-N 2.72Å; E465-R468 VanDerWaalsContact O-N 3.16Å; E465-A469 PolarHBondContact O-N 3.4Å
466	E	91.5	Very high	85.8	Confident	84 Å²	84	68 Å²	68	39%	0.393	34%	0.335	S	S	.	.	H	α-helix	trans	-54.1	-52.7	173.2	-178.5	-168.4	143.5	0	0	110.8	A462 K463 R468 A469 E470	A462-E466 WeakPolarHBondContact O-CB 3.29Å; A462-E466 PolarHBondContact O-N 3.2Å; K463-E466 VanDerWaalsContact CD-OE2 3.29Å; K463-E466 WeakPolarHBondContact CD-OE2 3.32Å; K463-E466 IonicContact NZ-OE1 3.39Å; K463-E466 PolarHBondContact NZ-OE1 3.5Å; K463-E466 IonicContact NZ-OE2 2.82Å; K463-E466 PolarHBondContact NZ-OE2 3.32Å; K463-E466 WeakPolarHBondContact O-CB 3.38Å; K463-E466 PolarHBondContact O-N 2.97Å; E466-R468 VanDerWaalsContact C-N 3.27Å; E466-R468 PolarHBondContact O-N 2.73Å; E466-A469 PolarHBondContact O-N 3.39Å; E466-A469 VanDerWaalsContact O-N 3.12Å; E466-E470 WeakPolarHBondContact O-CG 3.4Å; E466-E470 PolarHBondContact O-N 2.8Å
467	L	88.9	Confident	83.7	Confident	43 Å²	43	71.9 Å²	71.9	23%	0.225	36%	0.363	C	S	.	.	H	α-helix	trans	-60.7	-35.1	178.4	-68	171	0	0	0	112.8	K463 M464 E465 S471 V500 Y543	K463-L467 VanDerWaalsContact O-CG 3.25Å; K463-L467 WeakPolarHBondContact O-CG 3.3Å; K463-L467 PolarHBondContact O-N 3.38Å; M464-L467 HydrophobicContact SD-CD1 4.13Å; E465-L467 PolarHBondContact O-N 3.48Å; L467-S471 PolarHBondContact O-N 2.75Å; L467-S471 VanDerWaalsContact O-N 3.15Å; L467-V500 HydrophobicContact CD1-CG1 4.14Å; L467-V500 HydrophobicContact CD1-CG2 3.87Å; L467-V500 HydrophobicContact CD2-CG2 4.09Å; L467-Y543 HydrophobicContact CD1-CE2 4.04Å
468	R	87.3	Confident	81.5	Confident	126 Å²	126	69.1 Å²	69.1	48%	0.475	36%	0.357	S	S	.	.	H	α-helix	trans	-69.6	-41.3	175.6	-74.1	176.2	-163	109.4	-1.9	111.6	M464 E465 E466 S471 Q472	M464-R468 VanDerWaalsContact O-CG 3.22Å; M464-R468 WeakPolarHBondContact O-CG 3.36Å; M464-R468 PolarHBondContact O-N 3.13Å; M464-R468 PolarHBondContact O-NH1 3.39Å; M464-R468 VanDerWaalsContact O-NH1 3.14Å; E465-R468 PolarHBondContact O-N 2.72Å; E465-R468 VanDerWaalsContact O-N 3.16Å; E466-R468 VanDerWaalsContact C-N 3.27Å; E466-R468 PolarHBondContact O-N 2.73Å; R468-S471 PolarHBondContact O-N 3.23Å; R468-Q472 WeakPolarHBondContact O-CG 3.34Å; R468-Q472 PolarHBondContact O-N 3.04Å; R468-Q472 VanDerWaalsContact O-N 3.1Å
469	A	86.9	Confident	79.1	Confident	43 Å²	43	71.1 Å²	71.1	36%	0.355	38%	0.384	S	S	.	.	H	α-helix	trans	-65.2	-43.3	177.7	0	0	0	0	0	111.5	E465 E466 S471 Q472 Q473	E465-A469 PolarHBondContact O-N 3.4Å; E466-A469 PolarHBondContact O-N 3.39Å; E466-A469 VanDerWaalsContact O-N 3.12Å; A469-S471 VanDerWaalsContact C-N 3.32Å; A469-S471 PolarHBondContact O-N 3.09Å; A469-Q472 PolarHBondContact O-N 3.4Å; A469-Q472 VanDerWaalsContact O-N 3.15Å; A469-Q473 WeakPolarHBondContact O-CG 3.45Å; A469-Q473 PolarHBondContact O-N 3.16Å
470	E	82.8	Confident	76.6	Confident	81 Å²	81	76 Å²	76	38%	0.379	42%	0.415	S	S	.	.	H	α-helix	trans	-58.2	-43.7	174	-71.4	179.4	167.6	0	0	111.5	E466 Q472 Q473 V474 L493	E466-E470 WeakPolarHBondContact O-CG 3.4Å; E466-E470 PolarHBondContact O-N 2.8Å; E470-Q472 VanDerWaalsContact C-N 3.31Å; E470-Q472 PolarHBondContact O-N 3.47Å; E470-Q473 PolarHBondContact O-N 3.43Å; E470-V474 WeakPolarHBondContact O-CG2 3.43Å; E470-V474 PolarHBondContact O-N 3.09Å; E470-L493 HydrophobicContact CB-CD2 4.36Å
471	S	76.2	Confident	73.8	Confident	27 Å²	27	81.5 Å²	81.5	19%	0.189	45%	0.445	C	S	.	.	H	α-helix	trans	-64.3	-32.8	176.7	-176.1	0	0	0	0	113.4	L467 R468 A469 S475	L467-S471 PolarHBondContact O-N 2.75Å; L467-S471 VanDerWaalsContact O-N 3.15Å; R468-S471 PolarHBondContact O-N 3.23Å; A469-S471 VanDerWaalsContact C-N 3.32Å; A469-S471 PolarHBondContact O-N 3.09Å; S471-S475 PolarHBondContact O-N 2.9Å; S471-S475 PolarHBondContact O-OG 3.04Å; S471-S475 VanDerWaalsContact O-OG 3.05Å
472	Q	76.5	Confident	71.1	Confident	130 Å²	130	78.4 Å²	78.4	61%	0.607	44%	0.444	S	S	*	.	H	α-helix	trans	-75.7	-43.5	178.7	-73.7	174.2	-0.8	0	0	111.9	R468 A469 E470 V474 S475 E476	R468-Q472 WeakPolarHBondContact O-CG 3.34Å; R468-Q472 PolarHBondContact O-N 3.04Å; R468-Q472 VanDerWaalsContact O-N 3.1Å; A469-Q472 PolarHBondContact O-N 3.4Å; A469-Q472 VanDerWaalsContact O-N 3.15Å; E470-Q472 VanDerWaalsContact C-N 3.31Å; E470-Q472 PolarHBondContact O-N 3.47Å; Q472-V474 VanDerWaalsContact C-N 3.29Å; Q472-V474 PolarHBondContact O-N 3.42Å; Q472-S475 WeakPolarHBondContact O-CB 3.31Å; Q472-S475 PolarHBondContact O-N 3.41Å; Q472-E476 PolarHBondContact O-N 3.08Å; Q472-E476 VanDerWaalsContact O-N 3.07Å
473	Q	72.2	Confident	68.4	Low	133 Å²	133	89.8 Å²	89.8	62%	0.621	48%	0.481	S	S	*	.	H	α-helix	trans	-61.5	-36.9	178.3	-72.3	-176.9	-2.1	0	0	112.6	A469 E470 S475 E476 S477	A469-Q473 WeakPolarHBondContact O-CG 3.45Å; A469-Q473 PolarHBondContact O-N 3.16Å; E470-Q473 PolarHBondContact O-N 3.43Å; Q473-S475 VanDerWaalsContact C-N 3.31Å; Q473-E476 PolarHBondContact O-N 3.25Å; Q473-S477 WeakPolarHBondContact O-CB 3.33Å; Q473-S477 PolarHBondContact O-N 3.21Å; Q473-S477 PolarHBondContact O-OG 3.37Å
474	V	62	Low	65.9	Low	37 Å²	37	93.2 Å²	93.2	22%	0.224	51%	0.51	C	S	.	.	H	α-helix	trans	-68	-34	175.1	176.4	0	0	0	0	111.4	E470 Q472 S477 S478 I489 L493	E470-V474 WeakPolarHBondContact O-CG2 3.43Å; E470-V474 PolarHBondContact O-N 3.09Å; Q472-V474 VanDerWaalsContact C-N 3.29Å; Q472-V474 PolarHBondContact O-N 3.42Å; V474-S477 WeakPolarHBondContact CA-OG 3.41Å; V474-S477 PolarHBondContact O-OG 3.29Å; V474-S478 WeakPolarHBondContact O-CB 3.37Å; V474-S478 PolarHBondContact O-N 3.45Å; V474-S478 VanDerWaalsContact O-N 3.12Å; V474-I489 HydrophobicContact CG1-CG2 3.96Å; V474-L493 HydrophobicContact CB-CD1 4.36Å; V474-L493 HydrophobicContact CG1-CD1 4.08Å; V474-L493 HydrophobicContact CG2-CD1 3.9Å; V474-L493 HydrophobicContact CG2-CD2 4.22Å
475	S	58.7	Low	63.2	Low	63 Å²	63	100.6 Å²	100.6	44%	0.441	54%	0.541	S	S	.	.	H	α-helix	trans	-68.8	-38.4	176.9	-63.2	0	0	0	0	112.5	S471 Q472 Q473	S471-S475 PolarHBondContact O-N 2.9Å; S471-S475 PolarHBondContact O-OG 3.04Å; S471-S475 VanDerWaalsContact O-OG 3.05Å; Q472-S475 WeakPolarHBondContact O-CB 3.31Å; Q472-S475 PolarHBondContact O-N 3.41Å; Q473-S475 VanDerWaalsContact C-N 3.31Å
476	E	58.9	Low	60.4	Low	159 Å²	159	95.4 Å²	95.4	74%	0.743	52%	0.521	S	S	*	.	H	α-helix	trans	-72	-43.2	177.5	-68.8	-175.4	168.8	0	0	112.6	Q472 Q473 S478 G479	Q472-E476 PolarHBondContact O-N 3.08Å; Q472-E476 VanDerWaalsContact O-N 3.07Å; Q473-E476 PolarHBondContact O-N 3.25Å; E476-S478 VanDerWaalsContact C-N 3.31Å; E476-S478 PolarHBondContact O-N 3.45Å; E476-G479 PolarHBondContact O-N 3.27Å
477	S	54.2	Low	58	Low	84 Å²	84	95 Å²	95	59%	0.587	53%	0.532	S	S	*	.	H	α-helix	trans	-67.3	-30.3	178.8	56.1	0	0	0	0	112.9	Q473 V474 G479	Q473-S477 WeakPolarHBondContact O-CB 3.33Å; Q473-S477 PolarHBondContact O-N 3.21Å; Q473-S477 PolarHBondContact O-OG 3.37Å; V474-S477 WeakPolarHBondContact CA-OG 3.41Å; V474-S477 PolarHBondContact O-OG 3.29Å; S477-G479 PolarHBondContact O-N 2.88Å
478	S	49.8	Very low	55.6	Low	49 Å²	49	96.4 Å²	96.4	34%	0.343	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-71.8	-6.8	176.9	-163.2	0	0	0	0	113.7	V474 E476 T480 G486	V474-S478 WeakPolarHBondContact O-CB 3.37Å; V474-S478 PolarHBondContact O-N 3.45Å; V474-S478 VanDerWaalsContact O-N 3.12Å; E476-S478 VanDerWaalsContact C-N 3.31Å; E476-S478 PolarHBondContact O-N 3.45Å; S478-T480 VanDerWaalsContact C-N 3.28Å; S478-T480 PolarHBondContact O-N 3.05Å; S478-G486 WeakPolarHBondContact OG-CA 3.47Å
479	G	47.4	Very low	53.4	Low	65 Å²	65	94.4 Å²	94.4	67%	0.67	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-67.4	-11.4	-177	0	0	0	0	0	116.6	E476 S477	E476-G479 PolarHBondContact O-N 3.27Å; S477-G479 PolarHBondContact O-N 2.88Å
480	T	44.4	Very low	51.3	Low	128 Å²	128	94.2 Å²	94.2	79%	0.785	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-120.5	-5.2	-173.7	30.8	0	0	0	0	117.4	S478	S478-T480 VanDerWaalsContact C-N 3.28Å; S478-T480 PolarHBondContact O-N 3.05Å
481	I	37.8	Very low	49.7	Very low	150 Å²	150	91.9 Å²	91.9	77%	0.769	53%	0.532	S	S	*	.	S	Bend	trans	-139.5	110.3	-177.8	-55.6	178.6	0	0	0	112.2
482	G	41.2	Very low	48.4	Very low	52 Å²	52	93.2 Å²	93.2	54%	0.536	54%	0.541	S	S	.	.			trans	71.1	97.1	154.9	0	0	0	0	0	117.3	S484 K485	G482-S484 PolarHBondContact O-N 2.97Å; G482-K485 PolarHBondContact O-N 2.91Å
483	R	38.7	Very low	47	Very low	267 Å²	267	90.6 Å²	90.6	100%	1.008	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	0.7	-179.2	-89.3	179.9	176	164.4	-0.8	118.3
484	S	42.7	Very low	46.5	Very low	104 Å²	104	88.3 Å²	88.3	73%	0.727	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	-22.2	-176.6	48.7	0	0	0	0	115.3	G482	G482-S484 PolarHBondContact O-N 2.97Å
485	K	36.9	Very low	47.3	Very low	164 Å²	164	88 Å²	88	71%	0.713	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-26.1	178.8	-83.5	-174.9	173.4	-177.4	0	114.2	G482 A487 S488 I489	G482-K485 PolarHBondContact O-N 2.91Å; K485-A487 PolarHBondContact O-N 3.07Å; K485-S488 PolarHBondContact O-N 3.35Å; K485-S488 PolarHBondContact O-OG 3Å; K485-I489 WeakPolarHBondContact O-CG1 3.43Å; K485-I489 PolarHBondContact O-N 2.75Å
486	G	33.3	Very low	48.8	Very low	14 Å²	14	85 Å²	85	14%	0.144	50%	0.495	C	S	.	.	H	α-helix	trans	-63.8	-35.4	-178	0	0	0	0	0	114.3	S478 S488 I489 S490	S478-G486 WeakPolarHBondContact OG-CA 3.47Å; G486-S488 PolarHBondContact O-N 3.39Å; G486-I489 PolarHBondContact O-N 3.15Å; G486-S490 WeakPolarHBondContact O-CB 3.49Å; G486-S490 PolarHBondContact O-N 3.45Å
487	A	41.3	Very low	50.4	Low	75 Å²	75	79.1 Å²	79.1	62%	0.62	47%	0.472	S	S	*	.	H	α-helix	trans	-65.6	-38.6	-178.5	0	0	0	0	0	113	K485 S491	K485-A487 PolarHBondContact O-N 3.07Å; A487-S491 PolarHBondContact O-N 2.88Å
488	S	38.8	Very low	52.3	Low	73 Å²	73	77 Å²	77	51%	0.51	46%	0.456	S	S	.	.	H	α-helix	trans	-71.7	-31.7	176.4	40.5	0	0	0	0	113.3	K485 G486 S491	K485-S488 PolarHBondContact O-N 3.35Å; K485-S488 PolarHBondContact O-OG 3Å; G486-S488 PolarHBondContact O-N 3.39Å; S488-S491 PolarHBondContact O-OG 3.33Å
489	I	40.4	Very low	54.4	Low	85 Å²	85	79 Å²	79	44%	0.436	47%	0.466	S	S	.	.	H	α-helix	trans	-76	-42.6	178.9	-62.4	168.8	0	0	0	109.9	V474 K485 G486 S491 S492 L493	V474-I489 HydrophobicContact CG1-CG2 3.96Å; K485-I489 WeakPolarHBondContact O-CG1 3.43Å; K485-I489 PolarHBondContact O-N 2.75Å; G486-I489 PolarHBondContact O-N 3.15Å; I489-S491 VanDerWaalsContact C-N 3.33Å; I489-S491 PolarHBondContact O-N 3.49Å; I489-S492 PolarHBondContact O-N 2.95Å; I489-S492 VanDerWaalsContact O-N 3.14Å; I489-S492 PolarHBondContact O-OG 2.91Å; I489-L493 HydrophobicContact CG2-CD1 4.37Å
490	S	44.2	Very low	56.7	Low	38 Å²	38	76.1 Å²	76.1	27%	0.266	44%	0.435	S	S	.	.	H	α-helix	trans	-63.2	-36.1	179.6	-154.6	0	0	0	0	112.7	G486 S492	G486-S490 WeakPolarHBondContact O-CB 3.49Å; G486-S490 PolarHBondContact O-N 3.45Å; S490-S492 VanDerWaalsContact C-N 3.34Å; S490-S492 PolarHBondContact O-N 3.09Å
491	S	48.5	Very low	59.2	Low	33 Å²	33	70 Å²	70	23%	0.231	40%	0.397	C	S	.	.	H	α-helix	trans	-69.5	-30.2	175.7	86.5	0	0	0	0	113	A487 S488 I489 Q494 Q495	A487-S491 PolarHBondContact O-N 2.88Å; S488-S491 PolarHBondContact O-OG 3.33Å; I489-S491 VanDerWaalsContact C-N 3.33Å; I489-S491 PolarHBondContact O-N 3.49Å; S491-Q494 PolarHBondContact O-N 3.3Å; S491-Q495 WeakPolarHBondContact O-CG 3.35Å
492	S	48	Very low	62.1	Low	55 Å²	55	66.3 Å²	66.3	39%	0.385	38%	0.382	S	S	.	.	H	α-helix	trans	-70	-35	-176.7	71.6	0	0	0	0	113.7	I489 S490	I489-S492 PolarHBondContact O-N 2.95Å; I489-S492 VanDerWaalsContact O-N 3.14Å; I489-S492 PolarHBondContact O-OG 2.91Å; S490-S492 VanDerWaalsContact C-N 3.34Å; S490-S492 PolarHBondContact O-N 3.09Å
493	L	48.5	Very low	64.8	Low	75 Å²	75	65.4 Å²	65.4	39%	0.393	37%	0.365	S	S	.	.	H	α-helix	trans	-79.8	-22.6	176.7	-85.1	113	0	0	0	113.5	E470 V474 I489 Q495	E470-L493 HydrophobicContact CB-CD2 4.36Å; V474-L493 HydrophobicContact CB-CD1 4.36Å; V474-L493 HydrophobicContact CG1-CD1 4.08Å; V474-L493 HydrophobicContact CG2-CD1 3.9Å; V474-L493 HydrophobicContact CG2-CD2 4.22Å; I489-L493 HydrophobicContact CG2-CD1 4.37Å; L493-Q495 PolarHBondContact O-N 2.73Å
494	Q	61.7	Low	67.6	Low	85 Å²	85	52.8 Å²	52.8	40%	0.397	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-1	174.6	-70	-176.3	-12	0	0	113.1	S491 R550	S491-Q494 PolarHBondContact O-N 3.3Å; Q494-R550 PolarHBondContact O-NH1 3.32Å
495	Q	77.5	Confident	70.3	Confident	29 Å²	29	48.3 Å²	48.3	14%	0.136	29%	0.285	C	S	.	.	S	Bend	trans	-82.5	153.6	178.8	-74.2	168	7.7	0	0	112.1	S491 L493 S497 R599	S491-Q495 WeakPolarHBondContact O-CG 3.35Å; L493-Q495 PolarHBondContact O-N 2.73Å; Q495-S497 PolarHBondContact O-N 3.12Å; Q495-R599 VanDerWaalsContact CB-NH1 3.29Å
496	I	90.8	Very high	73.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.274	C	S	.	.			trans	-52.6	132.2	168.9	-61.8	169.2	0	0	0	108	Y543 I544 L548 A596 R599 C600	I496-Y543 HydrophobicContact CG2-CE1 3.89Å; I496-I544 HydrophobicContact CD1-CB 4.36Å; I496-I544 HydrophobicContact CG2-CG2 4.33Å; I496-L548 HydrophobicContact CD1-CD2 4.36Å; I496-L548 HydrophobicContact CD1-CG 4.02Å; I496-A596 HydrophobicContact CD1-CB 4.45Å; I496-R599 HydrophobicContact CB-CB 4.23Å; I496-R599 HydrophobicContact CG2-CB 4.17Å; I496-R599 WeakPolarHBondContact O-CD 3.33Å; I496-R599 PolarHBondContact O-NH1 3.33Å; I496-C600 HydrophobicContact CD1-CB 4.13Å
497	S	92.3	Very high	76.3	Confident	36 Å²	36	47 Å²	47	25%	0.252	27%	0.272	S	S	.	.			trans	-110.2	129.5	171.4	-174.9	0	0	0	0	109.7	Q495 T499 V500 Y543	Q495-S497 PolarHBondContact O-N 3.12Å; S497-T499 PolarHBondContact O-N 2.94Å; S497-T499 PolarHBondContact OG-N 3.29Å; S497-T499 PolarHBondContact OG-OG1 3.05Å; S497-V500 PolarHBondContact O-N 3.4Å; S497-Y543 PolarHBondContact N-OH 2.92Å
498	V	93.8	Very high	79	Confident	41 Å²	41	43.5 Å²	43.5	25%	0.248	24%	0.243	C	C	.	.	H	α-helix	trans	-65.4	-32.6	177.1	-177.7	0	0	0	0	110.6	V500 V501 T502 R599 I606	V498-V500 VanDerWaalsContact C-N 3.26Å; V498-V500 PolarHBondContact O-N 2.91Å; V498-V501 PolarHBondContact O-N 2.89Å; V498-V501 VanDerWaalsContact O-N 3.09Å; V498-T502 PolarHBondContact O-N 2.8Å; V498-T502 PolarHBondContact O-OG1 3.18Å; V498-T502 VanDerWaalsContact O-OG1 3.13Å; V498-R599 HydrophobicContact CG2-CB 4.14Å; V498-R599 HydrophobicContact CG2-CG 4.3Å; V498-I606 HydrophobicContact CG1-CD1 3.28Å
499	T	94	Very high	81.8	Confident	91 Å²	91	44.1 Å²	44.1	56%	0.558	24%	0.238	S	C	*	.	H	α-helix	trans	-61.6	-33.1	179.2	60.2	0	0	0	0	113	S497 V501 T502 D503	S497-T499 PolarHBondContact O-N 2.94Å; S497-T499 PolarHBondContact OG-N 3.29Å; S497-T499 PolarHBondContact OG-OG1 3.05Å; T499-V501 VanDerWaalsContact C-N 3.34Å; T499-T502 WeakPolarHBondContact O-CB 3.42Å; T499-T502 PolarHBondContact O-N 3.43Å; T499-D503 PolarHBondContact O-N 3.26Å
500	V	96.1	Very high	84.5	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-66.5	-39.7	177	174	0	0	0	0	110.5	K463 L467 S497 V498 D503 F504 Y543	K463-V500 HydrophobicContact CG-CG1 4.44Å; L467-V500 HydrophobicContact CD1-CG1 4.14Å; L467-V500 HydrophobicContact CD1-CG2 3.87Å; L467-V500 HydrophobicContact CD2-CG2 4.09Å; S497-V500 PolarHBondContact O-N 3.4Å; V498-V500 VanDerWaalsContact C-N 3.26Å; V498-V500 PolarHBondContact O-N 2.91Å; V500-D503 WeakPolarHBondContact O-CB 3.38Å; V500-D503 PolarHBondContact O-N 3.01Å; V500-F504 HydrophobicContact CG1-CD1 4.37Å; V500-F504 HydrophobicContact CG1-CE1 3.61Å; V500-F504 HydrophobicContact CG1-CE2 3.96Å; V500-F504 HydrophobicContact CG1-CZ 3.36Å; V500-F504 WeakPolarHBondContact O-CD1 3.47Å; V500-F504 VanDerWaalsContact O-CG 3.3Å; V500-F504 WeakPolarHBondContact O-CG 3.44Å; V500-F504 PolarHBondContact O-N 3.47Å; V500-Y543 HydrophobicContact CB-CE1 4.01Å; V500-Y543 HydrophobicContact CB-CE2 4.46Å; V500-Y543 HydrophobicContact CG1-CD1 4.4Å; V500-Y543 HydrophobicContact CG1-CD2 4.35Å; V500-Y543 HydrophobicContact CG1-CE1 3.96Å; V500-Y543 HydrophobicContact CG1-CE2 3.91Å
501	V	97.6	Very high	87.1	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-70.5	-36.1	175.8	175.6	0	0	0	0	111.2	V498 T499 D503 F504 V505 V540 Y543 S603 V607	V498-V501 PolarHBondContact O-N 2.89Å; V498-V501 VanDerWaalsContact O-N 3.09Å; T499-V501 VanDerWaalsContact C-N 3.34Å; V501-D503 VanDerWaalsContact C-N 3.31Å; V501-D503 PolarHBondContact O-N 3.24Å; V501-F504 WeakPolarHBondContact O-CB 3.32Å; V501-F504 PolarHBondContact O-N 3.26Å; V501-V505 WeakPolarHBondContact O-CG2 3.29Å; V501-V505 PolarHBondContact O-N 3.34Å; V501-V540 HydrophobicContact CG1-CG1 4.46Å; V501-V540 HydrophobicContact CG1-CG2 4.02Å; V501-Y543 HydrophobicContact CG2-CD1 3.86Å; V501-Y543 HydrophobicContact CG2-CE1 4.05Å; V501-S603 WeakPolarHBondContact CG2-OG 3.35Å; V501-V607 HydrophobicContact CG1-CG2 4.15Å
502	T	97.6	Very high	89.5	Confident	72 Å²	72	39.6 Å²	39.6	44%	0.442	21%	0.207	S	C	.	.	H	α-helix	trans	-59.6	-41.6	170.6	-50.3	0	0	0	0	111.7	V498 T499 V505 R506	V498-T502 PolarHBondContact O-N 2.8Å; V498-T502 PolarHBondContact O-OG1 3.18Å; V498-T502 VanDerWaalsContact O-OG1 3.13Å; T499-T502 WeakPolarHBondContact O-CB 3.42Å; T499-T502 PolarHBondContact O-N 3.43Å; T502-V505 PolarHBondContact O-N 3.44Å; T502-R506 WeakPolarHBondContact O-CB 3.33Å; T502-R506 PolarHBondContact O-N 3.48Å
503	D	97.6	Very high	91.8	Very high	34 Å²	34	41.2 Å²	41.2	18%	0.182	22%	0.215	C	C	.	.	H	α-helix	trans	-61.5	-43.1	173.6	-86.9	-35.9	0	0	0	112	K463 T499 V500 V501 V505 R506 W507	K463-D503 IonicContact NZ-OD2 2.77Å; T499-D503 PolarHBondContact O-N 3.26Å; V500-D503 WeakPolarHBondContact O-CB 3.38Å; V500-D503 PolarHBondContact O-N 3.01Å; V501-D503 VanDerWaalsContact C-N 3.31Å; V501-D503 PolarHBondContact O-N 3.24Å; D503-V505 VanDerWaalsContact C-N 3.34Å; D503-V505 PolarHBondContact O-N 3.48Å; D503-R506 PolarHBondContact O-N 3.05Å; D503-R506 IonicContact OD1-CZ 3.01Å; D503-R506 IonicContact OD1-NE 3.7Å; D503-R506 PolarHBondContact OD1-NE 3.41Å; D503-R506 IonicContact OD1-NH2 3.51Å; D503-R506 PolarHBondContact OD1-NH2 3.44Å; D503-W507 HydrophobicContact CB-CZ2 4.06Å; D503-W507 PolarHBondContact O-N 2.94Å
504	F	98.4	Very high	94.1	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-43.8	177.2	-60.8	-10.5	0	0	0	111.6	Y460 K463 V500 V501 W507 N508 L536 Q539 V540 Y543	Y460-F504 AromaticContact CD2-CE1 3.94Å; Y460-F504 HydrophobicContact CD2-CE1 3.94Å; Y460-F504 AromaticContact CD2-CE2 3.96Å; Y460-F504 HydrophobicContact CD2-CE2 3.96Å; Y460-F504 AromaticContact CD2-CZ 3.51Å; Y460-F504 HydrophobicContact CD2-CZ 3.51Å; Y460-F504 AromaticContact CE2-CE2 3.89Å; Y460-F504 HydrophobicContact CE2-CE2 3.89Å; Y460-F504 AromaticContact CE2-CZ 3.65Å; Y460-F504 HydrophobicContact CE2-CZ 3.65Å; K463-F504 HydrophobicContact CG-CE1 4.26Å; V500-F504 HydrophobicContact CG1-CD1 4.37Å; V500-F504 HydrophobicContact CG1-CE1 3.61Å; V500-F504 HydrophobicContact CG1-CE2 3.96Å; V500-F504 HydrophobicContact CG1-CZ 3.36Å; V500-F504 WeakPolarHBondContact O-CD1 3.47Å; V500-F504 VanDerWaalsContact O-CG 3.3Å; V500-F504 WeakPolarHBondContact O-CG 3.44Å; V500-F504 PolarHBondContact O-N 3.47Å; V501-F504 WeakPolarHBondContact O-CB 3.32Å; V501-F504 PolarHBondContact O-N 3.26Å; F504-W507 AromaticContact CD1-CE3 3.9Å; F504-W507 HydrophobicContact CD1-CE3 3.9Å; F504-W507 AromaticContact CD1-CH2 3.77Å; F504-W507 HydrophobicContact CD1-CH2 3.77Å; F504-W507 AromaticContact CD1-CZ3 3.31Å; F504-W507 HydrophobicContact CD1-CZ3 3.31Å; F504-W507 AromaticContact CE1-CH2 3.87Å; F504-W507 HydrophobicContact CE1-CH2 3.87Å; F504-W507 AromaticContact CE1-CZ3 3.65Å; F504-W507 HydrophobicContact CE1-CZ3 3.65Å; F504-W507 HydrophobicContact CG-CZ3 4.43Å; F504-W507 PolarHBondContact O-N 2.97Å; F504-N508 PolarHBondContact O-N 3.3Å; F504-L536 HydrophobicContact CB-CD1 3.59Å; F504-Q539 HydrophobicContact CD2-CB 4.32Å; F504-Q539 HydrophobicContact CE2-CB 4.43Å; F504-V540 HydrophobicContact CD2-CG2 3.95Å; F504-Y543 HydrophobicContact CE2-CD1 4.4Å; F504-Y543 HydrophobicContact CE2-CG 4.15Å
505	V	98.5	Very high	95.8	Very high	10 Å²	10	34.2 Å²	34.2	6%	0.061	18%	0.18	C	C	.	.	H	α-helix	trans	-63.3	-44.2	175.7	170.8	0	0	0	0	111.1	V501 T502 D503 W507 N508 E509 L536 I606 V607 Y610	V501-V505 WeakPolarHBondContact O-CG2 3.29Å; V501-V505 PolarHBondContact O-N 3.34Å; T502-V505 PolarHBondContact O-N 3.44Å; D503-V505 VanDerWaalsContact C-N 3.34Å; D503-V505 PolarHBondContact O-N 3.48Å; V505-W507 VanDerWaalsContact C-N 3.34Å; V505-W507 PolarHBondContact O-N 3.33Å; V505-N508 CarbonylContact O-C 3.57Å; V505-N508 WeakPolarHBondContact O-CA 3.45Å; V505-N508 WeakPolarHBondContact O-CB 3.44Å; V505-N508 PolarHBondContact O-N 3.22Å; V505-E509 HydrophobicContact CG1-CG 4.35Å; V505-E509 WeakPolarHBondContact O-CG 3.46Å; V505-E509 PolarHBondContact O-N 3.44Å; V505-L536 HydrophobicContact CG2-CD1 4.18Å; V505-L536 HydrophobicContact CG2-CD2 4.08Å; V505-I606 HydrophobicContact CG2-CG2 3.94Å; V505-V607 HydrophobicContact CG2-CG2 4.47Å; V505-Y610 HydrophobicContact CG1-CD1 3.99Å; V505-Y610 HydrophobicContact CG1-CD2 3.92Å; V505-Y610 HydrophobicContact CG1-CE1 4.46Å; V505-Y610 HydrophobicContact CG1-CE2 4.44Å; V505-Y610 HydrophobicContact CG1-CG 3.68Å; V505-Y610 HydrophobicContact CG2-CD1 4.46Å
506	R	98.2	Very high	96.7	Very high	126 Å²	126	35.8 Å²	35.8	48%	0.475	19%	0.191	S	C	.	.	H	α-helix	trans	-59.8	-42.1	177.6	-177.9	178.6	62.7	108.7	-5	112.4	T502 D503 N508 E509 E510	T502-R506 WeakPolarHBondContact O-CB 3.33Å; T502-R506 PolarHBondContact O-N 3.48Å; D503-R506 PolarHBondContact O-N 3.05Å; D503-R506 IonicContact OD1-CZ 3.01Å; D503-R506 IonicContact OD1-NE 3.7Å; D503-R506 PolarHBondContact OD1-NE 3.41Å; D503-R506 IonicContact OD1-NH2 3.51Å; D503-R506 PolarHBondContact OD1-NH2 3.44Å; R506-N508 VanDerWaalsContact C-N 3.28Å; R506-N508 PolarHBondContact O-N 3.38Å; R506-E509 PolarHBondContact O-N 3.37Å; R506-E510 PolarHBondContact O-N 3.21Å; R506-E510 VanDerWaalsContact O-N 3.1Å
507	W	98.2	Very high	96.9	Very high	24 Å²	24	37.5 Å²	37.5	9%	0.091	20%	0.2	C	C	.	.	H	α-helix	trans	-64.9	-37.4	174.6	-55.6	-24.4	0	0	0	111.6	L456 L459 K463 D503 F504 V505 E510 A511	L456-W507 HydrophobicContact CD2-CB 3.89Å; L459-W507 HydrophobicContact CB-CD2 3.97Å; L459-W507 HydrophobicContact CB-CE3 3.66Å; L459-W507 HydrophobicContact CB-CH2 4.11Å; L459-W507 HydrophobicContact CB-CZ2 4.38Å; L459-W507 HydrophobicContact CB-CZ3 3.73Å; L459-W507 HydrophobicContact CD1-CB 4.09Å; L459-W507 HydrophobicContact CD1-CD2 3.92Å; L459-W507 HydrophobicContact CD1-CE3 4.27Å; L459-W507 HydrophobicContact CD1-CG 3.83Å; L459-W507 HydrophobicContact CG-CD2 4.5Å; K463-W507 HydrophobicContact CB-CH2 3.59Å; K463-W507 HydrophobicContact CB-CZ2 4.36Å; K463-W507 HydrophobicContact CG-CH2 3.92Å; D503-W507 HydrophobicContact CB-CZ2 4.06Å; D503-W507 PolarHBondContact O-N 2.94Å; F504-W507 AromaticContact CD1-CE3 3.9Å; F504-W507 HydrophobicContact CD1-CE3 3.9Å; F504-W507 AromaticContact CD1-CH2 3.77Å; F504-W507 HydrophobicContact CD1-CH2 3.77Å; F504-W507 AromaticContact CD1-CZ3 3.31Å; F504-W507 HydrophobicContact CD1-CZ3 3.31Å; F504-W507 AromaticContact CE1-CH2 3.87Å; F504-W507 HydrophobicContact CE1-CH2 3.87Å; F504-W507 AromaticContact CE1-CZ3 3.65Å; F504-W507 HydrophobicContact CE1-CZ3 3.65Å; F504-W507 HydrophobicContact CG-CZ3 4.43Å; F504-W507 PolarHBondContact O-N 2.97Å; V505-W507 VanDerWaalsContact C-N 3.34Å; V505-W507 PolarHBondContact O-N 3.33Å; W507-E510 PolarHBondContact O-N 3.43Å; W507-A511 WeakPolarHBondContact O-CB 3.43Å; W507-A511 PolarHBondContact O-N 2.95Å
508	N	98.3	Very high	97.1	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.011	19%	0.191	C	C	.	.	H	α-helix	trans	-65.7	-43.1	175.6	-154.5	-96.8	0	0	0	111.7	F504 V505 R506 E510 A511 I512 I532 L536 Y610	F504-N508 PolarHBondContact O-N 3.3Å; V505-N508 CarbonylContact O-C 3.57Å; V505-N508 WeakPolarHBondContact O-CA 3.45Å; V505-N508 WeakPolarHBondContact O-CB 3.44Å; V505-N508 PolarHBondContact O-N 3.22Å; R506-N508 VanDerWaalsContact C-N 3.28Å; R506-N508 PolarHBondContact O-N 3.38Å; N508-E510 VanDerWaalsContact C-N 3.31Å; N508-E510 PolarHBondContact O-N 2.96Å; N508-A511 CarbonylContact O-C 3.58Å; N508-A511 WeakPolarHBondContact O-CB 3.38Å; N508-A511 PolarHBondContact O-N 3.23Å; N508-A511 VanDerWaalsContact O-N 3.14Å; N508-I512 WeakPolarHBondContact O-CB 3.14Å; N508-I512 VanDerWaalsContact O-CG1 3.26Å; N508-I512 WeakPolarHBondContact O-CG1 3.14Å; N508-I512 PolarHBondContact O-N 3.43Å; N508-I532 VanDerWaalsContact ND2-CG2 3.3Å; N508-I532 WeakPolarHBondContact ND2-CG2 3.48Å; N508-I532 PolarHBondContact ND2-O 2.97Å; N508-L536 HydrophobicContact CB-CB 4.36Å; N508-L536 HydrophobicContact CB-CD2 4.07Å; N508-L536 WeakPolarHBondContact ND2-CB 3.41Å; N508-Y610 HydrophobicContact CB-CE1 4.1Å; N508-Y610 VanDerWaalsContact OD1-CE1 3.31Å; N508-Y610 WeakPolarHBondContact OD1-CE1 3.34Å; N508-Y610 PolarHBondContact OD1-OH 2.82Å
509	E	98.2	Very high	97.1	Very high	87 Å²	87	35 Å²	35	41%	0.407	18%	0.182	S	C	.	.	H	α-helix	trans	-57.4	-43.9	174.9	-76.9	175.9	161.2	0	0	111.9	V505 R506 I512 T513 Y610	V505-E509 HydrophobicContact CG1-CG 4.35Å; V505-E509 WeakPolarHBondContact O-CG 3.46Å; V505-E509 PolarHBondContact O-N 3.44Å; R506-E509 PolarHBondContact O-N 3.37Å; E509-I512 PolarHBondContact O-N 3.46Å; E509-T513 PolarHBondContact O-N 3.03Å; E509-T513 PolarHBondContact O-OG1 3.04Å; E509-Y610 HydrophobicContact CG-CD2 4.02Å; E509-Y610 HydrophobicContact CG-CE2 3.35Å; E509-Y610 PolarHBondContact N-OH 3.05Å
510	E	97.6	Very high	96.7	Very high	49 Å²	49	34.8 Å²	34.8	23%	0.229	19%	0.185	C	C	.	.	H	α-helix	trans	-63.9	-41.3	176.3	-151.6	-165.3	132.1	0	0	111.7	R407 R506 W507 N508 T513 R514	R407-E510 IonicContact CZ-OE1 3.52Å; R407-E510 IonicContact CZ-OE2 2.8Å; R407-E510 IonicContact NE-OE1 2.58Å; R407-E510 PolarHBondContact NE-OE1 3.24Å; R407-E510 IonicContact NE-OE2 3.66Å; R407-E510 VanDerWaalsContact NH2-CD 3.33Å; R407-E510 IonicContact NH2-OE1 3.68Å; R407-E510 PolarHBondContact NH2-OE1 2.91Å; R407-E510 VanDerWaalsContact NH2-OE1 3.13Å; R407-E510 IonicContact NH2-OE2 3.64Å; R407-E510 PolarHBondContact NH2-OE2 2.92Å; R506-E510 PolarHBondContact O-N 3.21Å; R506-E510 VanDerWaalsContact O-N 3.1Å; W507-E510 PolarHBondContact O-N 3.43Å; N508-E510 VanDerWaalsContact C-N 3.31Å; N508-E510 PolarHBondContact O-N 2.96Å; E510-T513 PolarHBondContact O-N 3.24Å; E510-R514 PolarHBondContact O-N 3.44Å; E510-R514 IonicContact OE1-CZ 3.44Å; E510-R514 IonicContact OE1-NH1 3.3Å; E510-R514 PolarHBondContact OE1-NH1 3.05Å
511	A	98.3	Very high	96.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66	-41.2	175.7	0	0	0	0	0	112.2	Y448 E452 L456 W507 N508 T513 R514 C515 I532	Y448-A511 PolarHBondContact OH-O 2.98Å; E452-A511 HydrophobicContact CG-CB 3.85Å; E452-A511 VanDerWaalsContact OE1-CB 3.25Å; E452-A511 WeakPolarHBondContact OE1-CB 3.48Å; L456-A511 HydrophobicContact CD1-CB 4.19Å; L456-A511 HydrophobicContact CD2-CB 4.3Å; W507-A511 WeakPolarHBondContact O-CB 3.43Å; W507-A511 PolarHBondContact O-N 2.95Å; N508-A511 CarbonylContact O-C 3.58Å; N508-A511 WeakPolarHBondContact O-CB 3.38Å; N508-A511 PolarHBondContact O-N 3.23Å; N508-A511 VanDerWaalsContact O-N 3.14Å; A511-T513 VanDerWaalsContact C-N 3.33Å; A511-T513 PolarHBondContact O-N 3.01Å; A511-R514 PolarHBondContact O-N 3.17Å; A511-C515 VanDerWaalsContact O-CB 3.3Å; A511-C515 WeakPolarHBondContact O-CB 3.34Å; A511-C515 PolarHBondContact O-N 2.98Å; A511-I532 HydrophobicContact CB-CD1 4.44Å; A511-I532 HydrophobicContact CB-CG2 3.86Å
512	I	97.9	Very high	96.3	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.062	24%	0.235	C	C	.	.	H	α-helix	trans	-64.9	-38.6	176.3	-67.9	-58.9	0	0	0	110.8	N508 E509 R514 C515 T516 V529 I532 Y610 I615 L618	N508-I512 WeakPolarHBondContact O-CB 3.14Å; N508-I512 VanDerWaalsContact O-CG1 3.26Å; N508-I512 WeakPolarHBondContact O-CG1 3.14Å; N508-I512 PolarHBondContact O-N 3.43Å; E509-I512 PolarHBondContact O-N 3.46Å; I512-R514 PolarHBondContact O-N 2.93Å; I512-C515 WeakPolarHBondContact O-CB 3.44Å; I512-C515 PolarHBondContact O-N 3.31Å; I512-C515 VanDerWaalsContact O-N 3.16Å; I512-T516 HydrophobicContact CG2-CG2 4.47Å; I512-T516 WeakPolarHBondContact O-CG2 3.49Å; I512-T516 PolarHBondContact O-N 3.02Å; I512-T516 PolarHBondContact O-OG1 3.3Å; I512-V529 HydrophobicContact CD1-CB 4.11Å; I512-V529 HydrophobicContact CD1-CG1 3.88Å; I512-V529 HydrophobicContact CD1-CG2 4Å; I512-I532 HydrophobicContact CD1-CB 3.98Å; I512-I532 HydrophobicContact CD1-CD1 4.36Å; I512-I532 HydrophobicContact CD1-CG2 3.6Å; I512-I532 HydrophobicContact CG1-CG2 4.08Å; I512-Y610 VanDerWaalsContact CG1-OH 3.31Å; I512-Y610 WeakPolarHBondContact CG1-OH 3.42Å; I512-I615 HydrophobicContact CD1-CD1 4Å; I512-I615 HydrophobicContact CG1-CD1 3.87Å; I512-L618 HydrophobicContact CG2-CD1 3.41Å; I512-L618 VanDerWaalsContact CG2-CD1 3.41Å
513	T	97	Very high	96.1	Very high	89 Å²	89	44 Å²	44	55%	0.546	24%	0.24	S	C	.	.	H	α-helix	trans	-59.1	-48	174.9	-55.7	0	0	0	0	111	E509 E510 A511 C515 T516 L517	E509-T513 PolarHBondContact O-N 3.03Å; E509-T513 PolarHBondContact O-OG1 3.04Å; E510-T513 PolarHBondContact O-N 3.24Å; A511-T513 VanDerWaalsContact C-N 3.33Å; A511-T513 PolarHBondContact O-N 3.01Å; T513-C515 VanDerWaalsContact C-N 3.34Å; T513-C515 PolarHBondContact O-N 3.49Å; T513-T516 PolarHBondContact O-N 3.46Å; T513-T516 PolarHBondContact O-OG1 3Å; T513-L517 PolarHBondContact O-N 2.97Å; T513-L517 VanDerWaalsContact O-N 3.11Å
514	R	97.5	Very high	96	Very high	13 Å²	13	45.7 Å²	45.7	5%	0.049	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-39.3	173.6	-73.6	-173.2	-68.7	-84.6	0.8	112.8	A410 Y448 E452 E510 A511 I512 T516 L517 F518	A410-R514 HydrophobicContact CB-CG 4.09Å; Y448-R514 HydrophobicContact CE2-CB 4.14Å; Y448-R514 WeakPolarHBondContact OH-CB 3.43Å; E452-R514 IonicContact OE1-CZ 3.87Å; E452-R514 IonicContact OE1-NE 3.98Å; E452-R514 PolarHBondContact OE1-NE 3.44Å; E452-R514 IonicContact OE1-NH2 3.17Å; E452-R514 PolarHBondContact OE1-NH2 2.99Å; E452-R514 IonicContact OE2-CZ 3.71Å; E452-R514 IonicContact OE2-NE 2.65Å; E452-R514 PolarHBondContact OE2-NE 3.06Å; E452-R514 IonicContact OE2-NH2 2.67Å; E510-R514 PolarHBondContact O-N 3.44Å; E510-R514 IonicContact OE1-CZ 3.44Å; E510-R514 IonicContact OE1-NH1 3.3Å; E510-R514 PolarHBondContact OE1-NH1 3.05Å; A511-R514 PolarHBondContact O-N 3.17Å; I512-R514 PolarHBondContact O-N 2.93Å; R514-T516 VanDerWaalsContact C-N 3.31Å; R514-T516 PolarHBondContact O-N 2.97Å; R514-L517 WeakPolarHBondContact O-CB 3.5Å; R514-L517 PolarHBondContact O-N 3.49Å; R514-L517 VanDerWaalsContact O-N 3.09Å; R514-F518 HydrophobicContact CB-CD2 4.31Å; R514-F518 HydrophobicContact CB-CE2 4Å; R514-F518 HydrophobicContact CG-CE2 4.41Å; R514-F518 WeakPolarHBondContact O-CD2 3.4Å; R514-F518 PolarHBondContact O-N 3.35Å
515	C	96.9	Very high	95.8	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.1	-42.4	178.8	-176.6	0	0	0	0	111.5	Y448 A511 I512 T513 L517 F518 S519 N528 I532	Y448-C515 HydrophobicContact CE1-CB 4.45Å; Y448-C515 WeakPolarHBondContact OH-CA 3.34Å; Y448-C515 PolarHBondContact OH-N 3.42Å; Y448-C515 VanDerWaalsContact OH-N 3.1Å; A511-C515 VanDerWaalsContact O-CB 3.3Å; A511-C515 WeakPolarHBondContact O-CB 3.34Å; A511-C515 PolarHBondContact O-N 2.98Å; I512-C515 WeakPolarHBondContact O-CB 3.44Å; I512-C515 PolarHBondContact O-N 3.31Å; I512-C515 VanDerWaalsContact O-N 3.16Å; T513-C515 VanDerWaalsContact C-N 3.34Å; T513-C515 PolarHBondContact O-N 3.49Å; C515-L517 VanDerWaalsContact C-N 3.32Å; C515-F518 PolarHBondContact O-N 2.93Å; C515-S519 WeakPolarHBondContact O-CB 3.43Å; C515-S519 PolarHBondContact O-N 2.66Å; C515-S519 PolarHBondContact O-OG 3.42Å; C515-N528 WeakPolarHBondContact SG-CB 3.43Å; C515-I532 HydrophobicContact CB-CD1 3.61Å
516	T	96	Very high	95.7	Very high	62 Å²	62	46.7 Å²	46.7	38%	0.38	26%	0.258	S	S	.	.	H	α-helix	trans	-65.8	-33.2	173.9	57	0	0	0	0	113	I512 T513 R514 L525 L618	I512-T516 HydrophobicContact CG2-CG2 4.47Å; I512-T516 WeakPolarHBondContact O-CG2 3.49Å; I512-T516 PolarHBondContact O-N 3.02Å; I512-T516 PolarHBondContact O-OG1 3.3Å; T513-T516 PolarHBondContact O-N 3.46Å; T513-T516 PolarHBondContact O-OG1 3Å; R514-T516 VanDerWaalsContact C-N 3.31Å; R514-T516 PolarHBondContact O-N 2.97Å; T516-L525 HydrophobicContact CG2-CD1 3.91Å; T516-L525 HydrophobicContact CG2-CD2 4.48Å; T516-L618 HydrophobicContact CG2-CD1 4.07Å; T516-L618 HydrophobicContact CG2-CD2 4.11Å
517	L	96	Very high	95.6	Very high	35 Å²	35	43.5 Å²	43.5	18%	0.183	26%	0.258	C	S	.	.	H	α-helix	trans	-69	-40.9	176.8	178.9	67.2	0	0	0	112.1	A410 Y413 E414 T513 R514 C515	A410-L517 HydrophobicContact CB-CD2 3.86Å; Y413-L517 HydrophobicContact CD1-CD1 3.87Å; Y413-L517 HydrophobicContact CD1-CD2 4.14Å; Y413-L517 HydrophobicContact CD1-CG 3.78Å; Y413-L517 HydrophobicContact CE1-CD1 4.09Å; Y413-L517 HydrophobicContact CE1-CG 4.18Å; E414-L517 HydrophobicContact CG-CD1 3.72Å; E414-L517 HydrophobicContact CG-CD2 3.74Å; E414-L517 HydrophobicContact CG-CG 4.38Å; T513-L517 PolarHBondContact O-N 2.97Å; T513-L517 VanDerWaalsContact O-N 3.11Å; R514-L517 WeakPolarHBondContact O-CB 3.5Å; R514-L517 PolarHBondContact O-N 3.49Å; R514-L517 VanDerWaalsContact O-N 3.09Å; C515-L517 VanDerWaalsContact C-N 3.32Å
518	F	95.6	Very high	95.5	Very high	13 Å²	13	43.9 Å²	43.9	6%	0.057	26%	0.262	C	S	.	.	H	α-helix	trans	-92.7	-20.5	-174	-57.9	-45.1	0	0	0	114.7	L409 A410 Y413 K445 Y448 R514 C515	L409-F518 HydrophobicContact CB-CZ 4.23Å; L409-F518 HydrophobicContact CD2-CE2 4.11Å; L409-F518 HydrophobicContact CD2-CZ 3.92Å; L409-F518 HydrophobicContact CG-CE1 4.09Å; L409-F518 HydrophobicContact CG-CE2 4.32Å; L409-F518 HydrophobicContact CG-CZ 3.64Å; A410-F518 HydrophobicContact CB-CZ 3.95Å; Y413-F518 HydrophobicContact CD1-CD1 4.03Å; Y413-F518 HydrophobicContact CD1-CE1 4.01Å; Y413-F518 HydrophobicContact CE1-CD1 4.43Å; Y413-F518 HydrophobicContact CG-CD1 4.22Å; Y413-F518 AromaticContact CG-CE1 3.95Å; Y413-F518 HydrophobicContact CG-CE1 3.95Å; K445-F518 HydrophobicContact CG-CB 4.48Å; K445-F518 PolarHBondContact NZ-O 2.84Å; Y448-F518 HydrophobicContact CD1-CB 4.32Å; Y448-F518 AromaticContact CD1-CD2 3.94Å; Y448-F518 HydrophobicContact CD1-CD2 3.94Å; Y448-F518 AromaticContact CD2-CD2 3.47Å; Y448-F518 HydrophobicContact CD2-CD2 3.47Å; Y448-F518 VanDerWaalsContact CD2-CD2 3.47Å; Y448-F518 AromaticContact CD2-CE2 3.61Å; Y448-F518 HydrophobicContact CD2-CE2 3.61Å; Y448-F518 AromaticContact CE1-CD2 3.9Å; Y448-F518 HydrophobicContact CE1-CD2 3.9Å; Y448-F518 AromaticContact CE2-CD2 3.42Å; Y448-F518 HydrophobicContact CE2-CD2 3.42Å; Y448-F518 VanDerWaalsContact CE2-CD2 3.42Å; Y448-F518 AromaticContact CE2-CE2 3.52Å; Y448-F518 HydrophobicContact CE2-CE2 3.52Å; Y448-F518 AromaticContact CG-CD2 3.74Å; Y448-F518 HydrophobicContact CG-CD2 3.74Å; Y448-F518 HydrophobicContact CG-CE2 4.31Å; Y448-F518 AromaticContact CZ-CD2 3.66Å; R514-F518 HydrophobicContact CB-CD2 4.31Å; R514-F518 HydrophobicContact CB-CE2 4Å; R514-F518 HydrophobicContact CG-CE2 4.41Å; R514-F518 WeakPolarHBondContact O-CD2 3.4Å; R514-F518 PolarHBondContact O-N 3.35Å; C515-F518 PolarHBondContact O-N 2.93Å
519	S	93.5	Very high	95.5	Very high	11 Å²	11	43.8 Å²	43.8	8%	0.077	26%	0.261	C	S	.	.			trans	-100.7	94.1	-175.6	-47	0	0	0	0	111.6	C515 N528	C515-S519 WeakPolarHBondContact O-CB 3.43Å; C515-S519 PolarHBondContact O-N 2.66Å; C515-S519 PolarHBondContact O-OG 3.42Å; S519-N528 PolarHBondContact OG-ND2 3.14Å; S519-N528 VanDerWaalsContact OG-ND2 3.17Å
520	S	86.9	Confident	95.4	Very high	87 Å²	87	42.3 Å²	42.3	61%	0.608	25%	0.253	S	S	*	.			trans	-73.6	-28.3	-176.5	-42	0	0	0	0	114
521	Q	91.7	Very high	95.3	Very high	130 Å²	130	41.4 Å²	41.4	61%	0.607	26%	0.255	S	S	*	.	S	Bend	trans	-95	135.5	-177	-65	-66.5	-26.8	0	0	111	A523 T524 L525	Q521-A523 PolarHBondContact O-N 3.18Å; Q521-T524 WeakPolarHBondContact CB-OG1 3.42Å; Q521-T524 PolarHBondContact O-N 3.47Å; Q521-T524 PolarHBondContact O-OG1 3.45Å; Q521-L525 WeakPolarHBondContact O-CB 3.41Å; Q521-L525 PolarHBondContact O-N 2.86Å
522	P	91.9	Very high	95.3	Very high	73 Å²	73	41.6 Å²	41.6	47%	0.474	26%	0.256	S	S	.	.	H	α-helix	trans	-56.6	-36.1	-178.8	-27.5	34.6	0	0	0	114.1	A526 P621	P522-A526 WeakPolarHBondContact O-CB 3.26Å; P522-A526 PolarHBondContact O-N 3.28Å; P522-P621 HydrophobicContact CB-CB 4.47Å
523	A	94.3	Very high	95.3	Very high	66 Å²	66	41 Å²	41	55%	0.545	25%	0.253	S	S	.	.	H	α-helix	trans	-68.3	-45.1	-179.7	0	0	0	0	0	112.8	Q521 A527	Q521-A523 PolarHBondContact O-N 3.18Å; A523-A527 WeakPolarHBondContact O-CB 3.43Å; A523-A527 PolarHBondContact O-N 3.13Å; A523-A527 VanDerWaalsContact O-N 3.1Å
524	T	94.3	Very high	95.3	Very high	70 Å²	70	38.6 Å²	38.6	43%	0.429	24%	0.238	S	C	.	.	H	α-helix	trans	-70.5	-38.1	177.1	50.8	0	0	0	0	111.1	Q521 A527 N528	Q521-T524 WeakPolarHBondContact CB-OG1 3.42Å; Q521-T524 PolarHBondContact O-N 3.47Å; Q521-T524 PolarHBondContact O-OG1 3.45Å; T524-A527 PolarHBondContact O-N 3.43Å; T524-N528 WeakPolarHBondContact O-CB 3.49Å; T524-N528 VanDerWaalsContact O-CG 3.29Å; T524-N528 PolarHBondContact O-N 3.06Å; T524-N528 PolarHBondContact O-ND2 3.34Å
525	L	95.6	Very high	95.3	Very high	28 Å²	28	38.4 Å²	38.4	15%	0.147	24%	0.238	C	C	.	.	H	α-helix	trans	-57.8	-52.9	173.2	177.6	60.3	0	0	0	111.1	T516 Q521 A527 N528 V529	T516-L525 HydrophobicContact CG2-CD1 3.91Å; T516-L525 HydrophobicContact CG2-CD2 4.48Å; Q521-L525 WeakPolarHBondContact O-CB 3.41Å; Q521-L525 PolarHBondContact O-N 2.86Å; L525-A527 VanDerWaalsContact C-N 3.3Å; L525-A527 PolarHBondContact O-N 2.91Å; L525-N528 PolarHBondContact O-N 3.28Å; L525-V529 HydrophobicContact CD1-CG2 3.67Å; L525-V529 HydrophobicContact CG-CG2 4.11Å; L525-V529 VanDerWaalsContact O-CB 3.32Å; L525-V529 WeakPolarHBondContact O-CB 3.46Å; L525-V529 WeakPolarHBondContact O-CG2 3.16Å; L525-V529 PolarHBondContact O-N 2.97Å
526	A	96.3	Very high	95.4	Very high	4 Å²	4	38.4 Å²	38.4	3%	0.033	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-39.7	-179.9	0	0	0	0	0	112.2	P522 K530 L619 V622	P522-A526 WeakPolarHBondContact O-CB 3.26Å; P522-A526 PolarHBondContact O-N 3.28Å; A526-K530 WeakPolarHBondContact O-CB 3.29Å; A526-K530 PolarHBondContact O-N 3.01Å; A526-L619 HydrophobicContact CB-CD2 4.19Å; A526-L619 WeakPolarHBondContact O-CD2 3.29Å; A526-V622 HydrophobicContact CB-CB 3.93Å; A526-V622 HydrophobicContact CB-CG2 3.53Å
527	A	95.7	Very high	95.5	Very high	58 Å²	58	35.6 Å²	35.6	48%	0.479	22%	0.221	S	C	.	.	H	α-helix	trans	-63.2	-45.6	176.5	0	0	0	0	0	112.4	A523 T524 L525 K530 A531	A523-A527 WeakPolarHBondContact O-CB 3.43Å; A523-A527 PolarHBondContact O-N 3.13Å; A523-A527 VanDerWaalsContact O-N 3.1Å; T524-A527 PolarHBondContact O-N 3.43Å; L525-A527 VanDerWaalsContact C-N 3.3Å; L525-A527 PolarHBondContact O-N 2.91Å; A527-K530 PolarHBondContact O-N 3.48Å; A527-A531 PolarHBondContact O-N 3.05Å
528	N	96.3	Very high	95.5	Very high	33 Å²	33	38.4 Å²	38.4	18%	0.176	24%	0.236	C	C	.	.	H	α-helix	trans	-69.5	-44.3	179.4	-71.1	-21.5	0	0	0	111.8	C515 S519 T524 L525 K530 A531 I532	C515-N528 WeakPolarHBondContact SG-CB 3.43Å; S519-N528 PolarHBondContact OG-ND2 3.14Å; S519-N528 VanDerWaalsContact OG-ND2 3.17Å; T524-N528 WeakPolarHBondContact O-CB 3.49Å; T524-N528 VanDerWaalsContact O-CG 3.29Å; T524-N528 PolarHBondContact O-N 3.06Å; T524-N528 PolarHBondContact O-ND2 3.34Å; L525-N528 PolarHBondContact O-N 3.28Å; N528-K530 VanDerWaalsContact C-N 3.29Å; N528-K530 PolarHBondContact O-N 3.41Å; N528-A531 PolarHBondContact O-N 2.86Å; N528-I532 WeakPolarHBondContact O-CB 3.38Å; N528-I532 WeakPolarHBondContact O-CG1 3.49Å; N528-I532 PolarHBondContact O-N 3.29Å
529	V	97.5	Very high	95.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-56.7	-46.1	174.2	166.8	0	0	0	0	110.2	I512 L525 I532 F533 I615 L618 L619	I512-V529 HydrophobicContact CD1-CB 4.11Å; I512-V529 HydrophobicContact CD1-CG1 3.88Å; I512-V529 HydrophobicContact CD1-CG2 4Å; L525-V529 HydrophobicContact CD1-CG2 3.67Å; L525-V529 HydrophobicContact CG-CG2 4.11Å; L525-V529 VanDerWaalsContact O-CB 3.32Å; L525-V529 WeakPolarHBondContact O-CB 3.46Å; L525-V529 WeakPolarHBondContact O-CG2 3.16Å; L525-V529 PolarHBondContact O-N 2.97Å; V529-I532 PolarHBondContact O-N 3.15Å; V529-F533 VanDerWaalsContact O-CB 3.31Å; V529-F533 WeakPolarHBondContact O-CB 3.46Å; V529-F533 PolarHBondContact O-N 3.01Å; V529-I615 HydrophobicContact CG1-CD1 4.29Å; V529-I615 HydrophobicContact CG1-CG2 4.06Å; V529-L618 HydrophobicContact CG1-CB 4.17Å; V529-L618 HydrophobicContact CG1-CD1 4.37Å; V529-L618 HydrophobicContact CG2-CB 4.2Å; V529-L618 HydrophobicContact CG2-CD1 3.99Å; V529-L619 HydrophobicContact CB-CD2 4.25Å; V529-L619 HydrophobicContact CG1-CD2 3.87Å; V529-L619 HydrophobicContact CG1-CG 4.32Å
530	K	96.6	Very high	95.8	Very high	55 Å²	55	38 Å²	38	24%	0.239	23%	0.233	C	C	.	.	H	α-helix	trans	-57.9	-51.6	175.6	-177.2	177.3	-177.5	-163	0	110.9	A526 A527 N528 I532 F533 T534 L619 E632	A526-K530 WeakPolarHBondContact O-CB 3.29Å; A526-K530 PolarHBondContact O-N 3.01Å; A527-K530 PolarHBondContact O-N 3.48Å; N528-K530 VanDerWaalsContact C-N 3.29Å; N528-K530 PolarHBondContact O-N 3.41Å; K530-I532 VanDerWaalsContact C-N 3.33Å; K530-I532 PolarHBondContact O-N 3.47Å; K530-F533 PolarHBondContact O-N 3.34Å; K530-F533 VanDerWaalsContact O-N 3.17Å; K530-T534 PolarHBondContact O-N 3.49Å; K530-T534 PolarHBondContact O-OG1 3Å; K530-L619 HydrophobicContact CB-CD2 4.36Å; K530-E632 WeakPolarHBondContact CE-OE1 3.29Å; K530-E632 WeakPolarHBondContact CE-OE2 3.5Å; K530-E632 IonicContact NZ-OE1 2.68Å; K530-E632 PolarHBondContact NZ-OE1 2.97Å
531	A	96.6	Very high	96.3	Very high	31 Å²	31	34.1 Å²	34.1	26%	0.256	21%	0.206	S	C	.	.	H	α-helix	trans	-61.5	-38	-179.2	0	0	0	0	0	113.7	A527 N528 C535	A527-A531 PolarHBondContact O-N 3.05Å; N528-A531 PolarHBondContact O-N 2.86Å; A531-C535 PolarHBondContact O-N 3.36Å; A531-C535 PolarHBondContact O-SG 3.13Å
532	I	98.1	Very high	96.5	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-66.8	-44.5	174.6	-72	167	0	0	0	110.4	E452 L456 N508 A511 I512 C515 N528 V529 K530 C535 L536	E452-I532 HydrophobicContact CG-CD1 3.94Å; E452-I532 HydrophobicContact CG-CG1 4.18Å; L456-I532 HydrophobicContact CD1-CG2 4.01Å; N508-I532 VanDerWaalsContact ND2-CG2 3.3Å; N508-I532 WeakPolarHBondContact ND2-CG2 3.48Å; N508-I532 PolarHBondContact ND2-O 2.97Å; A511-I532 HydrophobicContact CB-CD1 4.44Å; A511-I532 HydrophobicContact CB-CG2 3.86Å; I512-I532 HydrophobicContact CD1-CB 3.98Å; I512-I532 HydrophobicContact CD1-CD1 4.36Å; I512-I532 HydrophobicContact CD1-CG2 3.6Å; I512-I532 HydrophobicContact CG1-CG2 4.08Å; C515-I532 HydrophobicContact CB-CD1 3.61Å; N528-I532 WeakPolarHBondContact O-CB 3.38Å; N528-I532 WeakPolarHBondContact O-CG1 3.49Å; N528-I532 PolarHBondContact O-N 3.29Å; V529-I532 PolarHBondContact O-N 3.15Å; K530-I532 VanDerWaalsContact C-N 3.33Å; K530-I532 PolarHBondContact O-N 3.47Å; I532-C535 WeakPolarHBondContact O-CB 3.34Å; I532-C535 PolarHBondContact O-N 3.31Å; I532-L536 PolarHBondContact O-N 3.24Å
533	F	98	Very high	96.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.8	-39.7	177.8	-176.2	-115.4	0	0	0	112.2	V529 K530 C535 L536 L537 V607 Y610 F611 I615 M633	V529-F533 VanDerWaalsContact O-CB 3.31Å; V529-F533 WeakPolarHBondContact O-CB 3.46Å; V529-F533 PolarHBondContact O-N 3.01Å; K530-F533 PolarHBondContact O-N 3.34Å; K530-F533 VanDerWaalsContact O-N 3.17Å; F533-C535 PolarHBondContact O-N 2.94Å; F533-L536 HydrophobicContact CD2-CD2 4.1Å; F533-L536 HydrophobicContact CE2-CD2 4.05Å; F533-L536 WeakPolarHBondContact O-CB 3.5Å; F533-L536 PolarHBondContact O-N 3.34Å; F533-L537 HydrophobicContact CD1-CD1 3.87Å; F533-L537 HydrophobicContact CD1-CG 4.15Å; F533-L537 HydrophobicContact CE1-CD1 3.59Å; F533-L537 HydrophobicContact CE1-CD2 3.93Å; F533-L537 HydrophobicContact CE1-CG 3.82Å; F533-L537 HydrophobicContact CE2-CD2 4.37Å; F533-L537 HydrophobicContact CZ-CD1 4.27Å; F533-L537 HydrophobicContact CZ-CD2 3.73Å; F533-L537 HydrophobicContact CZ-CG 4.02Å; F533-L537 WeakPolarHBondContact O-CG 3.2Å; F533-L537 PolarHBondContact O-N 2.95Å; F533-V607 HydrophobicContact CE2-CG1 4.32Å; F533-V607 HydrophobicContact CZ-CG1 4.29Å; F533-Y610 HydrophobicContact CD2-CE1 4.24Å; F533-Y610 HydrophobicContact CE2-CD1 4.24Å; F533-Y610 HydrophobicContact CE2-CE1 4.42Å; F533-F611 HydrophobicContact CD1-CD2 4.19Å; F533-F611 HydrophobicContact CD1-CE2 4.49Å; F533-F611 AromaticContact CE1-CD2 3.45Å; F533-F611 HydrophobicContact CE1-CD2 3.45Å; F533-F611 VanDerWaalsContact CE1-CD2 3.45Å; F533-F611 AromaticContact CE1-CE2 3.95Å; F533-F611 HydrophobicContact CE1-CE2 3.95Å; F533-F611 HydrophobicContact CE1-CG 4.42Å; F533-F611 HydrophobicContact CE2-CB 4.32Å; F533-F611 HydrophobicContact CE2-CD2 4.19Å; F533-F611 HydrophobicContact CZ-CB 3.92Å; F533-F611 AromaticContact CZ-CD2 3.46Å; F533-F611 HydrophobicContact CZ-CD2 3.46Å; F533-F611 VanDerWaalsContact CZ-CD2 3.46Å; F533-F611 HydrophobicContact CZ-CE2 4.4Å; F533-F611 HydrophobicContact CZ-CG 4.07Å; F533-I615 HydrophobicContact CB-CG2 4.42Å; F533-I615 HydrophobicContact CD1-CG2 4.36Å; F533-I615 HydrophobicContact CD2-CD1 4.18Å; F533-I615 HydrophobicContact CD2-CG1 3.76Å; F533-I615 HydrophobicContact CD2-CG2 4.41Å; F533-I615 HydrophobicContact CE2-CG1 4.1Å; F533-I615 HydrophobicContact CG-CG1 4.3Å; F533-I615 HydrophobicContact CG-CG2 4.15Å; F533-M633 HydrophobicContact CZ-SD 4.21Å
534	T	96.9	Very high	96.9	Very high	37 Å²	37	24.5 Å²	24.5	23%	0.227	15%	0.147	C	C	.	.	H	α-helix	trans	-59.3	-36.1	174.1	-50.3	0	0	0	0	111.5	K530 L536 L537 D538 E632	K530-T534 PolarHBondContact O-N 3.49Å; K530-T534 PolarHBondContact O-OG1 3Å; T534-L536 VanDerWaalsContact C-N 3.34Å; T534-L536 PolarHBondContact O-N 2.94Å; T534-L537 PolarHBondContact O-N 3.09Å; T534-D538 PolarHBondContact O-N 3.35Å; T534-E632 PolarHBondContact OG1-OE2 3.4Å
535	C	97.5	Very high	97	Very high	9 Å²	9	22 Å²	22	6%	0.061	13%	0.132	C	C	.	.	H	α-helix	trans	-61.9	-41.2	174	-66.5	0	0	0	0	112	L456 A531 I532 F533 Q539	L456-C535 HydrophobicContact CD1-CB 4.27Å; A531-C535 PolarHBondContact O-N 3.36Å; A531-C535 PolarHBondContact O-SG 3.13Å; I532-C535 WeakPolarHBondContact O-CB 3.34Å; I532-C535 PolarHBondContact O-N 3.31Å; F533-C535 PolarHBondContact O-N 2.94Å; C535-Q539 WeakPolarHBondContact O-CB 3.45Å; C535-Q539 WeakPolarHBondContact O-CG 3.39Å; C535-Q539 PolarHBondContact O-N 3.12Å; C535-Q539 VanDerWaalsContact O-N 3.09Å
536	L	98.3	Very high	96.9	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-63.2	-45.8	174.3	170.7	67.9	0	0	0	111.2	F504 V505 N508 I532 F533 T534 D538 Q539 V540 Y610	F504-L536 HydrophobicContact CB-CD1 3.59Å; V505-L536 HydrophobicContact CG2-CD1 4.18Å; V505-L536 HydrophobicContact CG2-CD2 4.08Å; N508-L536 HydrophobicContact CB-CB 4.36Å; N508-L536 HydrophobicContact CB-CD2 4.07Å; N508-L536 WeakPolarHBondContact ND2-CB 3.41Å; I532-L536 PolarHBondContact O-N 3.24Å; F533-L536 HydrophobicContact CD2-CD2 4.1Å; F533-L536 HydrophobicContact CE2-CD2 4.05Å; F533-L536 WeakPolarHBondContact O-CB 3.5Å; F533-L536 PolarHBondContact O-N 3.34Å; T534-L536 VanDerWaalsContact C-N 3.34Å; T534-L536 PolarHBondContact O-N 2.94Å; L536-D538 VanDerWaalsContact C-N 3.35Å; L536-D538 PolarHBondContact O-N 3.2Å; L536-Q539 PolarHBondContact O-N 2.99Å; L536-V540 HydrophobicContact CD1-CG2 3.74Å; L536-V540 HydrophobicContact CG-CG2 4.29Å; L536-V540 WeakPolarHBondContact O-CB 3.11Å; L536-V540 WeakPolarHBondContact O-CG2 3.35Å; L536-V540 PolarHBondContact O-N 3.31Å; L536-Y610 HydrophobicContact CD2-CD1 3.72Å; L536-Y610 HydrophobicContact CD2-CE1 3.72Å
537	L	98	Very high	96.8	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.016	14%	0.142	C	C	.	.	H	α-helix	trans	-58.3	-46.3	178.7	-68.3	178.3	0	0	0	111.9	F533 T534 S541 V607 E632 M633 A636	F533-L537 HydrophobicContact CD1-CD1 3.87Å; F533-L537 HydrophobicContact CD1-CG 4.15Å; F533-L537 HydrophobicContact CE1-CD1 3.59Å; F533-L537 HydrophobicContact CE1-CD2 3.93Å; F533-L537 HydrophobicContact CE1-CG 3.82Å; F533-L537 HydrophobicContact CE2-CD2 4.37Å; F533-L537 HydrophobicContact CZ-CD1 4.27Å; F533-L537 HydrophobicContact CZ-CD2 3.73Å; F533-L537 HydrophobicContact CZ-CG 4.02Å; F533-L537 WeakPolarHBondContact O-CG 3.2Å; F533-L537 PolarHBondContact O-N 2.95Å; T534-L537 PolarHBondContact O-N 3.09Å; L537-S541 WeakPolarHBondContact O-CB 3.43Å; L537-S541 PolarHBondContact O-N 3.28Å; L537-V607 HydrophobicContact CD2-CG1 3.91Å; L537-E632 HydrophobicContact CD1-CB 4.27Å; L537-M633 HydrophobicContact CD1-CB 3.98Å; L537-M633 HydrophobicContact CD2-CB 3.95Å; L537-M633 HydrophobicContact CD2-CG 3.75Å; L537-M633 HydrophobicContact CD2-SD 4.42Å; L537-A636 HydrophobicContact CB-CB 3.97Å
538	D	96.7	Very high	96.8	Very high	94 Å²	94	21.7 Å²	21.7	50%	0.503	12%	0.119	S	C	.	.	H	α-helix	trans	-60.7	-47.3	177.4	-77	-18.5	0	0	0	111.4	T534 L536 S541 V542	T534-D538 PolarHBondContact O-N 3.35Å; L536-D538 VanDerWaalsContact C-N 3.35Å; L536-D538 PolarHBondContact O-N 3.2Å; D538-S541 PolarHBondContact O-N 3.48Å; D538-V542 VanDerWaalsContact O-CG2 3.29Å; D538-V542 WeakPolarHBondContact O-CG2 3.39Å; D538-V542 PolarHBondContact O-N 3.44Å
539	Q	97.5	Very high	96.7	Very high	13 Å²	13	23.9 Å²	23.9	6%	0.061	13%	0.129	C	C	.	.	H	α-helix	trans	-63.2	-47.1	-179.6	-71.9	172	3	0	0	112.1	L456 Y460 F504 C535 L536 Y543	L456-Q539 PolarHBondContact O-NE2 2.89Å; Y460-Q539 HydrophobicContact CD1-CG 4.32Å; Y460-Q539 HydrophobicContact CD2-CB 3.65Å; Y460-Q539 HydrophobicContact CD2-CG 3.57Å; Y460-Q539 HydrophobicContact CE2-CB 3.84Å; Y460-Q539 HydrophobicContact CE2-CG 4.08Å; Y460-Q539 HydrophobicContact CG-CB 4.31Å; Y460-Q539 HydrophobicContact CG-CG 3.7Å; F504-Q539 HydrophobicContact CD2-CB 4.32Å; F504-Q539 HydrophobicContact CE2-CB 4.43Å; C535-Q539 WeakPolarHBondContact O-CB 3.45Å; C535-Q539 WeakPolarHBondContact O-CG 3.39Å; C535-Q539 PolarHBondContact O-N 3.12Å; C535-Q539 VanDerWaalsContact O-N 3.09Å; L536-Q539 PolarHBondContact O-N 2.99Å; Q539-Y543 VanDerWaalsContact O-CB 3.29Å; Q539-Y543 WeakPolarHBondContact O-CB 3.5Å; Q539-Y543 PolarHBondContact O-N 3.3Å
540	V	97.9	Very high	96.4	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-64.2	-47	177.8	172.2	0	0	0	0	110.4	V501 F504 L536 V542 Y543 I544 V607	V501-V540 HydrophobicContact CG1-CG1 4.46Å; V501-V540 HydrophobicContact CG1-CG2 4.02Å; F504-V540 HydrophobicContact CD2-CG2 3.95Å; L536-V540 HydrophobicContact CD1-CG2 3.74Å; L536-V540 HydrophobicContact CG-CG2 4.29Å; L536-V540 WeakPolarHBondContact O-CB 3.11Å; L536-V540 WeakPolarHBondContact O-CG2 3.35Å; L536-V540 PolarHBondContact O-N 3.31Å; V540-V542 PolarHBondContact O-N 2.87Å; V540-Y543 PolarHBondContact O-N 2.93Å; V540-I544 HydrophobicContact CG1-CD1 4.14Å; V540-I544 HydrophobicContact CG1-CG2 4.27Å; V540-I544 VanDerWaalsContact O-CG1 3.26Å; V540-I544 WeakPolarHBondContact O-CG1 3.3Å; V540-I544 WeakPolarHBondContact O-CG2 3.43Å; V540-I544 PolarHBondContact O-N 3.35Å; V540-V607 HydrophobicContact CB-CG2 4.45Å; V540-V607 HydrophobicContact CG1-CG2 4.09Å; V540-V607 HydrophobicContact CG2-CG2 3.95Å
541	S	97.3	Very high	96.3	Very high	6 Å²	6	25.8 Å²	25.8	4%	0.042	14%	0.137	C	C	.	.	H	α-helix	trans	-54.8	-50.5	178	165.3	0	0	0	0	111.5	L537 D538 T545 A636	L537-S541 WeakPolarHBondContact O-CB 3.43Å; L537-S541 PolarHBondContact O-N 3.28Å; D538-S541 PolarHBondContact O-N 3.48Å; S541-T545 WeakPolarHBondContact O-CB 3.5Å; S541-T545 PolarHBondContact O-N 2.88Å; S541-T545 PolarHBondContact O-OG1 3.32Å; S541-A636 WeakPolarHBondContact CB-O 3.42Å; S541-A636 PolarHBondContact OG-O 3.26Å
542	V	96	Very high	96.2	Very high	59 Å²	59	26.6 Å²	26.6	36%	0.358	13%	0.133	S	C	.	.	H	α-helix	trans	-62.5	-50.3	179.6	172.4	0	0	0	0	110.4	Y460 D538 V540 I544 T545 E546	Y460-V542 WeakPolarHBondContact OH-CG1 3.4Å; D538-V542 VanDerWaalsContact O-CG2 3.29Å; D538-V542 WeakPolarHBondContact O-CG2 3.39Å; D538-V542 PolarHBondContact O-N 3.44Å; V540-V542 PolarHBondContact O-N 2.87Å; V542-I544 PolarHBondContact O-N 3.35Å; V542-T545 PolarHBondContact O-N 2.93Å; V542-E546 HydrophobicContact CG1-CG 4.27Å; V542-E546 WeakPolarHBondContact CG1-OE1 3.4Å; V542-E546 WeakPolarHBondContact O-CB 3.39Å; V542-E546 WeakPolarHBondContact O-CG 3.43Å; V542-E546 PolarHBondContact O-N 3.25Å
543	Y	96.7	Very high	96	Very high	8 Å²	8	30 Å²	30	3%	0.031	15%	0.151	C	C	.	.	H	α-helix	trans	-57.4	-49.3	-177.2	177.3	-110.6	0	0	0	113.2	M464 L467 I496 S497 V500 V501 F504 Q539 V540 G547	M464-Y543 HydrophobicContact CE-CD2 3.98Å; M464-Y543 HydrophobicContact CE-CE2 4.5Å; M464-Y543 HydrophobicContact SD-CD2 3.72Å; M464-Y543 HydrophobicContact SD-CE2 4.19Å; L467-Y543 HydrophobicContact CD1-CE2 4.04Å; I496-Y543 HydrophobicContact CG2-CE1 3.89Å; S497-Y543 PolarHBondContact N-OH 2.92Å; V500-Y543 HydrophobicContact CB-CE1 4.01Å; V500-Y543 HydrophobicContact CB-CE2 4.46Å; V500-Y543 HydrophobicContact CG1-CD1 4.4Å; V500-Y543 HydrophobicContact CG1-CD2 4.35Å; V500-Y543 HydrophobicContact CG1-CE1 3.96Å; V500-Y543 HydrophobicContact CG1-CE2 3.91Å; V501-Y543 HydrophobicContact CG2-CD1 3.86Å; V501-Y543 HydrophobicContact CG2-CE1 4.05Å; F504-Y543 HydrophobicContact CE2-CD1 4.4Å; F504-Y543 HydrophobicContact CE2-CG 4.15Å; Q539-Y543 VanDerWaalsContact O-CB 3.29Å; Q539-Y543 WeakPolarHBondContact O-CB 3.5Å; Q539-Y543 PolarHBondContact O-N 3.3Å; V540-Y543 PolarHBondContact O-N 2.93Å; Y543-G547 PolarHBondContact O-N 3.34Å
544	I	96.6	Very high	95.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-74	-35.3	-178.2	70.4	-171.1	0	0	0	111.9	I496 V540 V542 G547 L548 V604 L637 A640	I496-I544 HydrophobicContact CD1-CB 4.36Å; I496-I544 HydrophobicContact CG2-CG2 4.33Å; V540-I544 HydrophobicContact CG1-CD1 4.14Å; V540-I544 HydrophobicContact CG1-CG2 4.27Å; V540-I544 VanDerWaalsContact O-CG1 3.26Å; V540-I544 WeakPolarHBondContact O-CG1 3.3Å; V540-I544 WeakPolarHBondContact O-CG2 3.43Å; V540-I544 PolarHBondContact O-N 3.35Å; V542-I544 PolarHBondContact O-N 3.35Å; I544-G547 PolarHBondContact O-N 3.41Å; I544-L548 WeakPolarHBondContact O-CB 3.5Å; I544-L548 WeakPolarHBondContact O-CG 3.44Å; I544-L548 PolarHBondContact O-N 3.05Å; I544-V604 HydrophobicContact CD1-CG2 4.14Å; I544-L637 HydrophobicContact CD1-CD2 4.05Å; I544-A640 HydrophobicContact CD1-CB 3.59Å; I544-A640 HydrophobicContact CG1-CB 3.62Å
545	T	96.2	Very high	95.4	Very high	18 Å²	18	30.3 Å²	30.3	11%	0.11	16%	0.155	C	C	.	.	H	α-helix	trans	-65.8	-49.6	178	-57.7	0	0	0	0	110.2	S541 V542 G547 L548 E549 K639 A640 A643	S541-T545 WeakPolarHBondContact O-CB 3.5Å; S541-T545 PolarHBondContact O-N 2.88Å; S541-T545 PolarHBondContact O-OG1 3.32Å; V542-T545 PolarHBondContact O-N 2.93Å; T545-G547 VanDerWaalsContact C-N 3.25Å; T545-G547 PolarHBondContact O-N 3.5Å; T545-L548 PolarHBondContact O-N 2.91Å; T545-E549 WeakPolarHBondContact O-CG 3.18Å; T545-E549 PolarHBondContact O-N 3.25Å; T545-K639 HydrophobicContact CG2-CB 4.47Å; T545-A640 PolarHBondContact OG1-N 3.31Å; T545-A643 HydrophobicContact CG2-CB 4.26Å
546	E	94	Very high	95.3	Very high	81 Å²	81	32 Å²	32	38%	0.379	17%	0.167	S	C	.	.	H	α-helix	trans	-61.6	-35.7	176.1	-72	-176.8	178.3	0	0	111.8	V542 R550	V542-E546 HydrophobicContact CG1-CG 4.27Å; V542-E546 WeakPolarHBondContact CG1-OE1 3.4Å; V542-E546 WeakPolarHBondContact O-CB 3.39Å; V542-E546 WeakPolarHBondContact O-CG 3.43Å; V542-E546 PolarHBondContact O-N 3.25Å; E546-R550 WeakPolarHBondContact O-CB 3.3Å; E546-R550 WeakPolarHBondContact O-CG 3.49Å; E546-R550 PolarHBondContact O-N 3.41Å; E546-R550 PolarHBondContact O-NE 2.9Å; E546-R550 VanDerWaalsContact O-NE 3.12Å
547	G	94	Very high	95	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-42	175.4	0	0	0	0	0	113.5	Y543 I544 T545 A551	Y543-G547 PolarHBondContact O-N 3.34Å; I544-G547 PolarHBondContact O-N 3.41Å; T545-G547 VanDerWaalsContact C-N 3.25Å; T545-G547 PolarHBondContact O-N 3.5Å; G547-A551 PolarHBondContact O-N 3.21Å; G547-A551 VanDerWaalsContact O-N 3.08Å
548	L	95.7	Very high	94.6	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-66.8	-41	174.8	-75.3	169.8	0	0	0	111.7	I496 I544 T545 A551 R552 F593 A596 V597 C600 A640 A643 A644	I496-L548 HydrophobicContact CD1-CD2 4.36Å; I496-L548 HydrophobicContact CD1-CG 4.02Å; I544-L548 WeakPolarHBondContact O-CB 3.5Å; I544-L548 WeakPolarHBondContact O-CG 3.44Å; I544-L548 PolarHBondContact O-N 3.05Å; T545-L548 PolarHBondContact O-N 2.91Å; L548-A551 PolarHBondContact O-N 3.04Å; L548-R552 WeakPolarHBondContact O-CB 3.29Å; L548-R552 PolarHBondContact O-N 3.44Å; L548-F593 HydrophobicContact CD2-CE2 4.35Å; L548-F593 HydrophobicContact CD2-CZ 4.3Å; L548-A596 HydrophobicContact CD2-CB 4.19Å; L548-V597 HydrophobicContact CD2-CG2 4.05Å; L548-C600 HydrophobicContact CD1-CB 4.37Å; L548-C600 HydrophobicContact CD2-CB 4.41Å; L548-A640 HydrophobicContact CD1-CB 4.41Å; L548-A640 WeakPolarHBondContact CD1-O 3.34Å; L548-A643 HydrophobicContact CB-CB 4.08Å; L548-A643 HydrophobicContact CD1-CB 4.22Å; L548-A644 HydrophobicContact CD1-CB 4.02Å
549	E	94.9	Very high	94.4	Very high	79 Å²	79	35.2 Å²	35.2	37%	0.369	18%	0.184	S	C	.	.	H	α-helix	trans	-64.3	-44.7	177.5	-72	-174	151.3	0	0	111.7	T545 A551 R552 D553 A643	T545-E549 WeakPolarHBondContact O-CG 3.18Å; T545-E549 PolarHBondContact O-N 3.25Å; E549-A551 VanDerWaalsContact C-N 3.35Å; E549-A551 PolarHBondContact O-N 2.89Å; E549-R552 CarbonylContact O-C 3.6Å; E549-R552 WeakPolarHBondContact O-CA 3.39Å; E549-R552 WeakPolarHBondContact O-CB 3.39Å; E549-R552 PolarHBondContact O-N 3.01Å; E549-R552 VanDerWaalsContact O-N 3.07Å; E549-D553 VanDerWaalsContact O-CG 3.29Å; E549-D553 PolarHBondContact O-N 3.14Å; E549-A643 HydrophobicContact CG-CB 4.39Å
550	R	91.5	Very high	94.1	Very high	84 Å²	84	37.2 Å²	37.2	32%	0.317	20%	0.203	S	C	.	.	H	α-helix	trans	-59.2	-43.3	173.4	-77	178.7	-78.5	126.2	-9.2	112.6	Q494 E546 R552 D553	Q494-R550 PolarHBondContact O-NH1 3.32Å; E546-R550 WeakPolarHBondContact O-CB 3.3Å; E546-R550 WeakPolarHBondContact O-CG 3.49Å; E546-R550 PolarHBondContact O-N 3.41Å; E546-R550 PolarHBondContact O-NE 2.9Å; E546-R550 VanDerWaalsContact O-NE 3.12Å; R550-R552 VanDerWaalsContact C-N 3.27Å; R550-R552 PolarHBondContact O-N 3.13Å; R550-D553 PolarHBondContact O-N 2.91Å
551	A	93.1	Very high	93.6	Very high	11 Å²	11	40.7 Å²	40.7	9%	0.091	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-34.1	175.7	0	0	0	0	0	112.2	G547 L548 E549 F593 A596	G547-A551 PolarHBondContact O-N 3.21Å; G547-A551 VanDerWaalsContact O-N 3.08Å; L548-A551 PolarHBondContact O-N 3.04Å; E549-A551 VanDerWaalsContact C-N 3.35Å; E549-A551 PolarHBondContact O-N 2.89Å; A551-F593 HydrophobicContact CB-CD2 3.88Å; A551-A596 HydrophobicContact CB-CB 3.74Å
552	R	94.9	Very high	93.1	Very high	48 Å²	48	42.3 Å²	42.3	18%	0.181	23%	0.226	C	C	.	.	H	α-helix	trans	-70.6	-33.9	175.9	-170.4	-167.5	70	-158.2	-5.5	112.3	L548 E549 R550 S554 L555 S556 F593	L548-R552 WeakPolarHBondContact O-CB 3.29Å; L548-R552 PolarHBondContact O-N 3.44Å; E549-R552 CarbonylContact O-C 3.6Å; E549-R552 WeakPolarHBondContact O-CA 3.39Å; E549-R552 WeakPolarHBondContact O-CB 3.39Å; E549-R552 PolarHBondContact O-N 3.01Å; E549-R552 VanDerWaalsContact O-N 3.07Å; R550-R552 VanDerWaalsContact C-N 3.27Å; R550-R552 PolarHBondContact O-N 3.13Å; R552-S554 PolarHBondContact O-N 2.92Å; R552-L555 WeakPolarHBondContact O-CA 3.42Å; R552-L555 VanDerWaalsContact O-CB 3.31Å; R552-L555 WeakPolarHBondContact O-CB 3.36Å; R552-L555 PolarHBondContact O-N 3.41Å; R552-S556 PolarHBondContact O-N 3.38Å; R552-S556 PolarHBondContact O-OG 3.49Å; R552-F593 HydrophobicContact CB-CD2 4.32Å; R552-F593 HydrophobicContact CB-CE2 4.03Å
553	D	93.5	Very high	92.5	Very high	76 Å²	76	46 Å²	46	41%	0.406	24%	0.24	S	C	.	.	H	α-helix	trans	-60.2	-35.5	177.4	-66.5	-20.2	0	0	0	111	E549 R550 L555 S556 E557	E549-D553 VanDerWaalsContact O-CG 3.29Å; E549-D553 PolarHBondContact O-N 3.14Å; R550-D553 PolarHBondContact O-N 2.91Å; D553-L555 VanDerWaalsContact C-N 3.32Å; D553-L555 PolarHBondContact O-N 2.96Å; D553-S556 CarbonylContact O-C 3.53Å; D553-S556 WeakPolarHBondContact O-CA 3.23Å; D553-S556 WeakPolarHBondContact O-CB 3.46Å; D553-S556 PolarHBondContact O-N 2.97Å; D553-E557 WeakPolarHBondContact O-CG 3.5Å; D553-E557 PolarHBondContact O-N 3.41Å
554	S	90.4	Very high	91.6	Very high	43 Å²	43	54.7 Å²	54.7	30%	0.301	27%	0.273	S	S	.	.	H	α-helix	trans	-61.9	-34.1	171.8	-55	0	0	0	0	113.8	R552 A558 S589	R552-S554 PolarHBondContact O-N 2.92Å; S554-A558 WeakPolarHBondContact O-CB 3.39Å; S554-A558 PolarHBondContact O-N 3.38Å; S554-A558 VanDerWaalsContact O-N 3.08Å; S554-S589 WeakPolarHBondContact O-CB 3.25Å
555	L	93.6	Very high	90.3	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-67.9	-39.3	172.3	-68.9	166	0	0	0	110.9	R552 D553 A558 A559 F593 Q650 T654	R552-L555 WeakPolarHBondContact O-CA 3.42Å; R552-L555 VanDerWaalsContact O-CB 3.31Å; R552-L555 WeakPolarHBondContact O-CB 3.36Å; R552-L555 PolarHBondContact O-N 3.41Å; D553-L555 VanDerWaalsContact C-N 3.32Å; D553-L555 PolarHBondContact O-N 2.96Å; L555-A558 PolarHBondContact O-N 3.05Å; L555-A559 WeakPolarHBondContact O-CB 3.42Å; L555-A559 PolarHBondContact O-N 3.11Å; L555-F593 HydrophobicContact CD1-CB 3.91Å; L555-F593 HydrophobicContact CD1-CD1 4.39Å; L555-F593 HydrophobicContact CD1-CD2 3.94Å; L555-F593 HydrophobicContact CD1-CG 3.79Å; L555-F593 HydrophobicContact CG-CB 4.43Å; L555-Q650 HydrophobicContact CD1-CB 4.14Å; L555-T654 HydrophobicContact CD2-CG2 4.49Å
556	S	94.8	Very high	89	Confident	45 Å²	45	63.1 Å²	63.1	32%	0.315	32%	0.318	S	S	.	.	H	α-helix	trans	-67.8	-40.7	179.5	-58.3	0	0	0	0	111.4	R552 D553 A559 A560	R552-S556 PolarHBondContact O-N 3.38Å; R552-S556 PolarHBondContact O-OG 3.49Å; D553-S556 CarbonylContact O-C 3.53Å; D553-S556 WeakPolarHBondContact O-CA 3.23Å; D553-S556 WeakPolarHBondContact O-CB 3.46Å; D553-S556 PolarHBondContact O-N 2.97Å; S556-A559 WeakPolarHBondContact O-CB 3.45Å; S556-A559 PolarHBondContact O-N 2.87Å; S556-A560 PolarHBondContact O-N 3.09Å
557	E	91.4	Very high	87.3	Confident	132 Å²	132	66.5 Å²	66.5	62%	0.617	34%	0.338	S	S	*	.	H	α-helix	trans	-62.4	-43.8	172	-72.2	-179.7	-179.6	0	0	111.7	D553 A559 A560 L561	D553-E557 WeakPolarHBondContact O-CG 3.5Å; D553-E557 PolarHBondContact O-N 3.41Å; E557-A559 VanDerWaalsContact C-N 3.31Å; E557-A559 PolarHBondContact O-N 3.28Å; E557-A560 PolarHBondContact O-N 3Å; E557-L561 WeakPolarHBondContact O-CG 3.33Å; E557-L561 PolarHBondContact O-N 3.46Å
558	A	90.4	Very high	85.5	Confident	2 Å²	2	68.4 Å²	68.4	2%	0.017	36%	0.358	C	S	.	.	H	α-helix	trans	-64	-35.2	175	0	0	0	0	0	112.3	S554 L555 R562 A585	S554-A558 WeakPolarHBondContact O-CB 3.39Å; S554-A558 PolarHBondContact O-N 3.38Å; S554-A558 VanDerWaalsContact O-N 3.08Å; L555-A558 PolarHBondContact O-N 3.05Å; A558-R562 VanDerWaalsContact O-CG 3.31Å; A558-R562 WeakPolarHBondContact O-CG 3.18Å; A558-R562 PolarHBondContact O-N 3.43Å; A558-R562 PolarHBondContact O-NE 2.77Å; A558-A585 HydrophobicContact CB-CB 4.26Å
559	A	92.5	Very high	83.3	Confident	30 Å²	30	79.8 Å²	79.8	25%	0.248	40%	0.401	C	S	.	.	H	α-helix	trans	-63.5	-48.5	171.2	0	0	0	0	0	112.1	L555 S556 E557 L561 R562 E563	L555-A559 WeakPolarHBondContact O-CB 3.42Å; L555-A559 PolarHBondContact O-N 3.11Å; S556-A559 WeakPolarHBondContact O-CB 3.45Å; S556-A559 PolarHBondContact O-N 2.87Å; E557-A559 VanDerWaalsContact C-N 3.31Å; E557-A559 PolarHBondContact O-N 3.28Å; A559-L561 VanDerWaalsContact C-N 3.32Å; A559-L561 PolarHBondContact O-N 3.17Å; A559-R562 WeakPolarHBondContact O-CB 3.4Å; A559-R562 PolarHBondContact O-N 3.41Å; A559-R562 VanDerWaalsContact O-N 3.09Å; A559-E563 PolarHBondContact O-N 3.03Å
560	A	90.9	Very high	81	Confident	56 Å²	56	86.7 Å²	86.7	46%	0.463	42%	0.423	S	S	.	.	H	α-helix	trans	-61.6	-38.5	178.9	0	0	0	0	0	112.7	S556 E557 R562 E563 R564	S556-A560 PolarHBondContact O-N 3.09Å; E557-A560 PolarHBondContact O-N 3Å; A560-R562 VanDerWaalsContact C-N 3.35Å; A560-E563 PolarHBondContact O-N 3.38Å; A560-R564 PolarHBondContact O-N 3.44Å; A560-R564 VanDerWaalsContact O-N 3.12Å
561	L	86.6	Confident	79.4	Confident	73 Å²	73	87.9 Å²	87.9	38%	0.382	44%	0.44	S	S	.	.	H	α-helix	trans	-58.4	-47.9	173	-75.6	174.4	0	0	0	110.8	E557 A559 E563 R564 F565 A585	E557-L561 WeakPolarHBondContact O-CG 3.33Å; E557-L561 PolarHBondContact O-N 3.46Å; A559-L561 VanDerWaalsContact C-N 3.32Å; A559-L561 PolarHBondContact O-N 3.17Å; L561-E563 PolarHBondContact O-N 2.74Å; L561-R564 PolarHBondContact O-N 3.02Å; L561-F565 HydrophobicContact CB-CE2 4.11Å; L561-F565 WeakPolarHBondContact O-CD2 3.33Å; L561-F565 WeakPolarHBondContact O-CE2 3.48Å; L561-F565 PolarHBondContact O-N 2.88Å; L561-A585 HydrophobicContact CD1-CB 4.18Å
562	R	86.6	Confident	78	Confident	40 Å²	40	91.6 Å²	91.6	15%	0.151	47%	0.47	C	S	.	.	H	α-helix	trans	-59.4	-45.8	178.5	-70.7	175	-69.2	170.3	-0	112.6	A558 A559 A560 R564 F565 V566 A582 T654	A558-R562 VanDerWaalsContact O-CG 3.31Å; A558-R562 WeakPolarHBondContact O-CG 3.18Å; A558-R562 PolarHBondContact O-N 3.43Å; A558-R562 PolarHBondContact O-NE 2.77Å; A559-R562 WeakPolarHBondContact O-CB 3.4Å; A559-R562 PolarHBondContact O-N 3.41Å; A559-R562 VanDerWaalsContact O-N 3.09Å; A560-R562 VanDerWaalsContact C-N 3.35Å; R562-R564 VanDerWaalsContact C-N 3.34Å; R562-R564 PolarHBondContact O-N 3.42Å; R562-F565 PolarHBondContact O-N 3.48Å; R562-V566 PolarHBondContact O-N 3.36Å; R562-A582 HydrophobicContact CG-CB 3.59Å; R562-T654 VanDerWaalsContact NH1-CA 3.32Å; R562-T654 PolarHBondContact NH1-O 2.84Å; R562-T654 VanDerWaalsContact NH1-O 3.08Å; R562-T654 PolarHBondContact NH2-OG1 2.92Å
563	E	84.1	Confident	76.5	Confident	137 Å²	137	93 Å²	93	64%	0.64	49%	0.492	S	S	*	.	H	α-helix	trans	-62.2	-40.1	179.3	-70.6	-176.3	175.8	0	0	112.9	A559 A560 L561 F565 V566 L567	A559-E563 PolarHBondContact O-N 3.03Å; A560-E563 PolarHBondContact O-N 3.38Å; L561-E563 PolarHBondContact O-N 2.74Å; E563-F565 PolarHBondContact O-N 2.96Å; E563-V566 PolarHBondContact O-N 3Å; E563-L567 PolarHBondContact O-N 2.7Å
564	R	77.8	Confident	75.2	Confident	190 Å²	190	92.2 Å²	92.2	72%	0.717	50%	0.496	S	S	*	.	H	α-helix	trans	-59.7	-31.3	178.1	-168	176.7	-179.3	-176	0.9	112.3	A560 L561 R562 G568	A560-R564 PolarHBondContact O-N 3.44Å; A560-R564 VanDerWaalsContact O-N 3.12Å; L561-R564 PolarHBondContact O-N 3.02Å; R562-R564 VanDerWaalsContact C-N 3.34Å; R562-R564 PolarHBondContact O-N 3.42Å; R564-G568 PolarHBondContact O-N 3.03Å
565	F	70.2	Confident	74.4	Confident	68 Å²	68	92 Å²	92	30%	0.298	50%	0.498	S	S	.	.	H	α-helix	trans	-77.7	-35.6	178.1	-57.3	-49.6	0	0	0	113.2	L561 R562 E563 L567 G568 A578 A582	L561-F565 HydrophobicContact CB-CE2 4.11Å; L561-F565 WeakPolarHBondContact O-CD2 3.33Å; L561-F565 WeakPolarHBondContact O-CE2 3.48Å; L561-F565 PolarHBondContact O-N 2.88Å; R562-F565 PolarHBondContact O-N 3.48Å; E563-F565 PolarHBondContact O-N 2.96Å; F565-L567 PolarHBondContact O-N 3.26Å; F565-G568 PolarHBondContact O-N 2.91Å; F565-A578 HydrophobicContact CD1-CB 3.53Å; F565-A578 HydrophobicContact CE1-CB 3.27Å; F565-A578 HydrophobicContact CE2-CB 4.42Å; F565-A578 VanDerWaalsContact CE2-O 3.22Å; F565-A578 WeakPolarHBondContact CE2-O 3.32Å; F565-A578 HydrophobicContact CG-CB 4.25Å; F565-A578 HydrophobicContact CZ-CB 3.76Å; F565-A582 HydrophobicContact CD2-CB 3.59Å; F565-A582 HydrophobicContact CE2-CB 3.42Å; F565-A582 VanDerWaalsContact CE2-CB 3.42Å
566	V	68.1	Low	73.7	Confident	128 Å²	128	94.7 Å²	94.7	78%	0.776	52%	0.519	S	S	*	.	H	α-helix	trans	-61.2	-34.9	176.6	178	0	0	0	0	111.2	R562 E563	R562-V566 PolarHBondContact O-N 3.36Å; E563-V566 PolarHBondContact O-N 3Å
567	L	58.5	Low	72.9	Confident	152 Å²	152	96.6 Å²	96.6	80%	0.796	53%	0.533	S	S	*	.	H	α-helix	trans	-80.5	-30.4	177.1	-69.4	159.6	0	0	0	113.4	E563 F565 R569	E563-L567 PolarHBondContact O-N 2.7Å; F565-L567 PolarHBondContact O-N 3.26Å; L567-R569 PolarHBondContact O-N 3.26Å
568	G	55.2	Low	72.5	Confident	41 Å²	41	91.4 Å²	91.4	42%	0.423	51%	0.512	S	S	.	.			trans	-83	63.7	-171.1	0	0	0	0	0	115	R564 F565 R570	R564-G568 PolarHBondContact O-N 3.03Å; F565-G568 PolarHBondContact O-N 2.91Å; G568-R570 PolarHBondContact O-N 3.48Å
569	R	50.6	Low	72.2	Confident	240 Å²	240	92.3 Å²	92.3	91%	0.906	52%	0.52	S	S	*	.			trans	-74.4	40.8	-175.7	-153.6	177.7	167	-162.1	-3.7	115.3	L567	L567-R569 PolarHBondContact O-N 3.26Å
570	R	47.3	Very low	71.9	Confident	223 Å²	223	95.1 Å²	95.1	84%	0.842	53%	0.528	S	S	*	.	S	Bend	trans	-121.5	112.3	-178.1	-68.8	-176.4	-179.7	178.6	0.8	111.6	G568	G568-R570 PolarHBondContact O-N 3.48Å
571	V	56.2	Low	71.7	Confident	110 Å²	110	95.2 Å²	95.2	67%	0.667	53%	0.529	S	S	*	.			trans	74.8	106.7	177	-165.1	0	0	0	0	115.2	A573 A574 A575	V571-A573 PolarHBondContact O-N 2.83Å; V571-A574 HydrophobicContact CB-CB 4.37Å; V571-A574 PolarHBondContact O-N 2.87Å; V571-A575 PolarHBondContact O-N 3.37Å
572	A	64.6	Low	71.8	Confident	88 Å²	88	91.9 Å²	91.9	73%	0.727	51%	0.512	S	S	*	.	H	α-helix	trans	-55.7	-40	-171.7	0	0	0	0	0	115	A575 A576	A572-A575 PolarHBondContact O-N 2.94Å; A572-A576 PolarHBondContact O-N 3.24Å
573	A	62.4	Low	71.9	Confident	78 Å²	78	90.4 Å²	90.4	65%	0.645	51%	0.509	S	S	*	.	H	α-helix	trans	-69.9	-41.1	179.9	0	0	0	0	0	112.6	V571 A575 A576 S577	V571-A573 PolarHBondContact O-N 2.83Å; A573-A575 VanDerWaalsContact C-N 3.33Å; A573-A576 PolarHBondContact O-N 3.42Å; A573-S577 PolarHBondContact O-N 3.33Å
574	A	67.8	Low	72.2	Confident	59 Å²	59	86.7 Å²	86.7	49%	0.488	50%	0.501	S	S	.	.	H	α-helix	trans	-66.3	-38.8	175.7	0	0	0	0	0	111	V571 A578	V571-A574 HydrophobicContact CB-CB 4.37Å; V571-A574 PolarHBondContact O-N 2.87Å; A574-A578 VanDerWaalsContact O-CB 3.26Å; A574-A578 WeakPolarHBondContact O-CB 3.26Å; A574-A578 PolarHBondContact O-N 2.73Å
575	A	73.9	Confident	72.9	Confident	40 Å²	40	79.1 Å²	79.1	33%	0.331	48%	0.479	S	S	.	.	H	α-helix	trans	-63.2	-42	176.1	0	0	0	0	0	112.6	V571 A572 A573 A578 A579	V571-A575 PolarHBondContact O-N 3.37Å; A572-A575 PolarHBondContact O-N 2.94Å; A573-A575 VanDerWaalsContact C-N 3.33Å; A575-A578 PolarHBondContact O-N 2.86Å; A575-A579 WeakPolarHBondContact O-CB 3.3Å; A575-A579 PolarHBondContact O-N 3.28Å
576	A	77.4	Confident	74	Confident	56 Å²	56	76 Å²	76	46%	0.463	47%	0.466	S	S	.	.	H	α-helix	trans	-64.6	-48.7	178.1	0	0	0	0	0	112.2	A572 A573 A578 A579 E580	A572-A576 PolarHBondContact O-N 3.24Å; A573-A576 PolarHBondContact O-N 3.42Å; A576-A578 VanDerWaalsContact C-N 3.28Å; A576-A578 PolarHBondContact O-N 3.21Å; A576-A579 PolarHBondContact O-N 3.08Å; A576-E580 PolarHBondContact O-N 3.16Å; A576-E580 VanDerWaalsContact O-N 3.07Å
577	S	79.3	Confident	75.3	Confident	85 Å²	85	70.8 Å²	70.8	59%	0.594	43%	0.433	S	S	*	.	H	α-helix	trans	-59	-41.4	177	-179.6	0	0	0	0	111.9	A573 E580 A581	A573-S577 PolarHBondContact O-N 3.33Å; S577-E580 PolarHBondContact O-N 3.22Å; S577-A581 PolarHBondContact O-N 3.49Å
578	A	82	Confident	76.9	Confident	23 Å²	23	66.7 Å²	66.7	19%	0.19	42%	0.417	C	S	.	.	H	α-helix	trans	-71.5	-35.8	-179.4	0	0	0	0	0	112.9	F565 A574 A575 A576 A581 A582	F565-A578 HydrophobicContact CD1-CB 3.53Å; F565-A578 HydrophobicContact CE1-CB 3.27Å; F565-A578 HydrophobicContact CE2-CB 4.42Å; F565-A578 VanDerWaalsContact CE2-O 3.22Å; F565-A578 WeakPolarHBondContact CE2-O 3.32Å; F565-A578 HydrophobicContact CG-CB 4.25Å; F565-A578 HydrophobicContact CZ-CB 3.76Å; A574-A578 VanDerWaalsContact O-CB 3.26Å; A574-A578 WeakPolarHBondContact O-CB 3.26Å; A574-A578 PolarHBondContact O-N 2.73Å; A575-A578 PolarHBondContact O-N 2.86Å; A576-A578 VanDerWaalsContact C-N 3.28Å; A576-A578 PolarHBondContact O-N 3.21Å; A578-A581 PolarHBondContact O-N 2.94Å; A578-A582 PolarHBondContact O-N 3.12Å
579	A	83.7	Confident	78.7	Confident	22 Å²	22	65 Å²	65	18%	0.182	40%	0.399	C	S	.	.	H	α-helix	trans	-63.4	-42.2	173.2	0	0	0	0	0	112.2	A575 A576 A581 A582 A583	A575-A579 WeakPolarHBondContact O-CB 3.3Å; A575-A579 PolarHBondContact O-N 3.28Å; A576-A579 PolarHBondContact O-N 3.08Å; A579-A581 VanDerWaalsContact C-N 3.34Å; A579-A582 WeakPolarHBondContact O-CB 3.36Å; A579-A582 PolarHBondContact O-N 2.9Å; A579-A583 PolarHBondContact O-N 3.42Å
580	E	86.2	Confident	80.9	Confident	88 Å²	88	53.5 Å²	53.5	41%	0.411	36%	0.356	S	S	.	.	H	α-helix	trans	-64.5	-38.1	174.5	-69.6	-58.8	140.2	0	0	112	A576 S577 A582 A583 A584 R661	A576-E580 PolarHBondContact O-N 3.16Å; A576-E580 VanDerWaalsContact O-N 3.07Å; S577-E580 PolarHBondContact O-N 3.22Å; E580-A582 VanDerWaalsContact C-N 3.33Å; E580-A582 PolarHBondContact O-N 3.14Å; E580-A583 PolarHBondContact O-N 3.08Å; E580-A584 WeakPolarHBondContact O-CB 3.47Å; E580-A584 PolarHBondContact O-N 3.43Å; E580-R661 IonicContact OE1-CZ 2.71Å; E580-R661 VanDerWaalsContact OE1-CZ 3.32Å; E580-R661 IonicContact OE1-NH1 3.61Å; E580-R661 PolarHBondContact OE1-NH1 3.28Å; E580-R661 IonicContact OE1-NH2 2.86Å; E580-R661 PolarHBondContact OE1-NH2 2.7Å; E580-R661 IonicContact OE2-NH2 2.71Å
581	A	86.8	Confident	83.1	Confident	58 Å²	58	46.6 Å²	46.6	48%	0.479	33%	0.331	S	S	.	.	H	α-helix	trans	-63.3	-38.8	173.1	0	0	0	0	0	112.2	S577 A578 A579 A584 A585	S577-A581 PolarHBondContact O-N 3.49Å; A578-A581 PolarHBondContact O-N 2.94Å; A579-A581 VanDerWaalsContact C-N 3.34Å; A581-A584 PolarHBondContact O-N 2.92Å; A581-A585 WeakPolarHBondContact O-CB 3.41Å; A581-A585 PolarHBondContact O-N 3.36Å
582	A	88.2	Confident	84.9	Confident	3 Å²	3	42.1 Å²	42.1	3%	0.025	31%	0.305	C	S	.	.	H	α-helix	trans	-64.4	-43	175	0	0	0	0	0	112.1	R562 F565 A578 A579 E580 A585 G586	R562-A582 HydrophobicContact CG-CB 3.59Å; F565-A582 HydrophobicContact CD2-CB 3.59Å; F565-A582 HydrophobicContact CE2-CB 3.42Å; F565-A582 VanDerWaalsContact CE2-CB 3.42Å; A578-A582 PolarHBondContact O-N 3.12Å; A579-A582 WeakPolarHBondContact O-CB 3.36Å; A579-A582 PolarHBondContact O-N 2.9Å; E580-A582 VanDerWaalsContact C-N 3.33Å; E580-A582 PolarHBondContact O-N 3.14Å; A582-A585 PolarHBondContact O-N 3.04Å; A582-G586 PolarHBondContact O-N 2.98Å
583	A	89.3	Confident	86.4	Confident	10 Å²	10	37.9 Å²	37.9	8%	0.083	27%	0.27	C	S	.	.	H	α-helix	trans	-62.2	-45.4	176.8	0	0	0	0	0	111.2	A579 E580 A585 G586 E587 E658	A579-A583 PolarHBondContact O-N 3.42Å; E580-A583 PolarHBondContact O-N 3.08Å; A583-A585 VanDerWaalsContact C-N 3.35Å; A583-A585 PolarHBondContact O-N 3.19Å; A583-G586 PolarHBondContact O-N 3.41Å; A583-E587 PolarHBondContact O-N 3.25Å; A583-E658 WeakPolarHBondContact CB-OE1 3.44Å; A583-E658 VanDerWaalsContact CB-OE2 3.29Å; A583-E658 WeakPolarHBondContact CB-OE2 3.33Å
584	A	91.4	Very high	88	Confident	59 Å²	59	34.2 Å²	34.2	49%	0.488	24%	0.24	S	C	.	.	H	α-helix	trans	-61.9	-40.8	175.7	0	0	0	0	0	112.3	E580 A581 E587 S588	E580-A584 WeakPolarHBondContact O-CB 3.47Å; E580-A584 PolarHBondContact O-N 3.43Å; A581-A584 PolarHBondContact O-N 2.92Å; A584-E587 PolarHBondContact O-N 2.77Å; A584-S588 WeakPolarHBondContact O-CB 3.31Å; A584-S588 PolarHBondContact O-N 3.21Å
585	A	91.6	Very high	89.2	Confident	31 Å²	31	33.6 Å²	33.6	26%	0.256	23%	0.23	S	C	.	.	H	α-helix	trans	-64.4	-41.8	174.3	0	0	0	0	0	112.1	A558 L561 A581 A582 A583 S588 S589	A558-A585 HydrophobicContact CB-CB 4.26Å; L561-A585 HydrophobicContact CD1-CB 4.18Å; A581-A585 WeakPolarHBondContact O-CB 3.41Å; A581-A585 PolarHBondContact O-N 3.36Å; A582-A585 PolarHBondContact O-N 3.04Å; A583-A585 VanDerWaalsContact C-N 3.35Å; A583-A585 PolarHBondContact O-N 3.19Å; A585-S588 PolarHBondContact O-N 3.43Å; A585-S589 WeakPolarHBondContact O-CB 3.49Å; A585-S589 PolarHBondContact O-N 3.33Å; A585-S589 PolarHBondContact O-OG 3.15Å
586	G	93.7	Very high	90.2	Very high	2 Å²	2	31.7 Å²	31.7	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-42.4	174.9	0	0	0	0	0	112.8	A582 A583 S589 F590	A582-G586 PolarHBondContact O-N 2.98Å; A583-G586 PolarHBondContact O-N 3.41Å; G586-S589 WeakPolarHBondContact CA-OG 3.47Å; G586-S589 PolarHBondContact O-OG 3.12Å; G586-F590 WeakPolarHBondContact O-CB 3.48Å; G586-F590 PolarHBondContact O-N 2.99Å
587	E	94.5	Very high	91.1	Very high	19 Å²	19	30 Å²	30	9%	0.089	20%	0.198	C	C	.	.	H	α-helix	trans	-68.1	-42.1	177	-170.1	-176.5	150	0	0	112.4	A583 A584 F590 K591 R698 V699	A583-E587 PolarHBondContact O-N 3.25Å; A584-E587 PolarHBondContact O-N 2.77Å; E587-F590 PolarHBondContact O-N 3.22Å; E587-K591 WeakPolarHBondContact O-CG 3.22Å; E587-K591 PolarHBondContact O-N 2.82Å; E587-K591 VanDerWaalsContact OE1-CE 3.3Å; E587-K591 WeakPolarHBondContact OE1-CE 3.36Å; E587-K591 IonicContact OE1-NZ 2.77Å; E587-K591 PolarHBondContact OE1-NZ 3.15Å; E587-R698 IonicContact OE1-CZ 2.71Å; E587-R698 IonicContact OE1-NH1 2.74Å; E587-R698 PolarHBondContact OE1-NH1 3.04Å; E587-R698 IonicContact OE2-CZ 3.57Å; E587-R698 IonicContact OE2-NH1 2.6Å; E587-R698 PolarHBondContact OE2-NH1 3.1Å; E587-R698 IonicContact OE2-NH2 2.66Å; E587-R698 PolarHBondContact OE2-NH2 2.63Å; E587-V699 HydrophobicContact CG-CB 4.38Å; E587-V699 HydrophobicContact CG-CG2 3.96Å
588	S	92.6	Very high	91.9	Very high	65 Å²	65	30 Å²	30	46%	0.455	19%	0.189	S	C	.	.	H	α-helix	trans	-63.6	-43.9	177.7	-175	0	0	0	0	111.9	A584 A585 K591 S592	A584-S588 WeakPolarHBondContact O-CB 3.31Å; A584-S588 PolarHBondContact O-N 3.21Å; A585-S588 PolarHBondContact O-N 3.43Å; S588-K591 PolarHBondContact O-N 3.39Å; S588-S592 WeakPolarHBondContact O-CB 3.42Å; S588-S592 PolarHBondContact O-N 3.22Å; S588-S592 PolarHBondContact O-OG 3.4Å
589	S	94.1	Very high	92.5	Very high	5 Å²	5	32.5 Å²	32.5	4%	0.035	19%	0.193	C	C	.	.	H	α-helix	trans	-67.2	-38.7	176.8	51.6	0	0	0	0	112.2	S554 A585 G586 S592 F593	S554-S589 WeakPolarHBondContact O-CB 3.25Å; A585-S589 WeakPolarHBondContact O-CB 3.49Å; A585-S589 PolarHBondContact O-N 3.33Å; A585-S589 PolarHBondContact O-OG 3.15Å; G586-S589 WeakPolarHBondContact CA-OG 3.47Å; G586-S589 PolarHBondContact O-OG 3.12Å; S589-S592 PolarHBondContact O-N 3.34Å; S589-F593 WeakPolarHBondContact O-CB 3.32Å; S589-F593 PolarHBondContact O-N 2.9Å
590	F	96.1	Very high	93	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-56.9	-52.4	172	-179.1	-83.8	0	0	0	111.9	G586 E587 S592 F593 M594 C651 V655 V699 L700 S702 A703 F715	G586-F590 WeakPolarHBondContact O-CB 3.48Å; G586-F590 PolarHBondContact O-N 2.99Å; E587-F590 PolarHBondContact O-N 3.22Å; F590-S592 VanDerWaalsContact C-N 3.33Å; F590-S592 PolarHBondContact O-N 3.02Å; F590-F593 PolarHBondContact O-N 3.11Å; F590-M594 HydrophobicContact CD1-CG 4.08Å; F590-M594 HydrophobicContact CD2-CE 4.45Å; F590-M594 HydrophobicContact CE1-CE 3.97Å; F590-M594 HydrophobicContact CE1-CG 3.77Å; F590-M594 HydrophobicContact CE2-CE 3.71Å; F590-M594 HydrophobicContact CZ-CE 3.43Å; F590-M594 VanDerWaalsContact CZ-CE 3.43Å; F590-M594 HydrophobicContact CZ-CG 4.23Å; F590-M594 WeakPolarHBondContact O-CG 3.44Å; F590-M594 PolarHBondContact O-N 3.42Å; F590-C651 HydrophobicContact CD2-CB 3.58Å; F590-C651 HydrophobicContact CE2-CB 3.58Å; F590-V655 HydrophobicContact CD2-CG2 3.62Å; F590-V655 HydrophobicContact CE2-CG2 3.42Å; F590-V655 VanDerWaalsContact CE2-CG2 3.42Å; F590-V655 HydrophobicContact CG-CG2 4.45Å; F590-V655 HydrophobicContact CZ-CG2 4.14Å; F590-V699 HydrophobicContact CB-CG2 4.3Å; F590-V699 HydrophobicContact CD1-CG2 3.52Å; F590-V699 HydrophobicContact CD2-CG2 4.48Å; F590-V699 HydrophobicContact CE1-CG2 3.88Å; F590-V699 WeakPolarHBondContact CE1-O 3.31Å; F590-V699 HydrophobicContact CG-CG2 3.86Å; F590-V699 HydrophobicContact CZ-CG2 4.48Å; F590-L700 HydrophobicContact CZ-CD2 3.84Å; F590-S702 WeakPolarHBondContact CD1-OG 3.39Å; F590-S702 VanDerWaalsContact CE1-OG 3.25Å; F590-S702 WeakPolarHBondContact CE1-OG 3.01Å; F590-A703 HydrophobicContact CE1-CB 4.27Å; F590-A703 HydrophobicContact CZ-CB 4.05Å; F590-F715 HydrophobicContact CE2-CZ 4.12Å; F590-F715 HydrophobicContact CZ-CZ 4.16Å
591	K	94.3	Very high	93.4	Very high	77 Å²	77	29.9 Å²	29.9	34%	0.335	19%	0.19	S	C	.	.	H	α-helix	trans	-61.6	-43	179.8	-71.2	177.9	-174.6	172.4	0	111.5	E587 S588 F593 M594 V595	E587-K591 WeakPolarHBondContact O-CG 3.22Å; E587-K591 PolarHBondContact O-N 2.82Å; E587-K591 VanDerWaalsContact OE1-CE 3.3Å; E587-K591 WeakPolarHBondContact OE1-CE 3.36Å; E587-K591 IonicContact OE1-NZ 2.77Å; E587-K591 PolarHBondContact OE1-NZ 3.15Å; S588-K591 PolarHBondContact O-N 3.39Å; K591-F593 VanDerWaalsContact C-N 3.32Å; K591-F593 PolarHBondContact O-N 2.94Å; K591-M594 PolarHBondContact O-N 3Å; K591-V595 WeakPolarHBondContact O-CG2 3.4Å; K591-V595 PolarHBondContact O-N 3.39Å
592	S	92.6	Very high	93.8	Very high	16 Å²	16	29.6 Å²	29.6	11%	0.112	18%	0.184	C	C	.	.	H	α-helix	trans	-62	-40.7	178.4	-59.9	0	0	0	0	111.8	S588 S589 F590 V595 A596	S588-S592 WeakPolarHBondContact O-CB 3.42Å; S588-S592 PolarHBondContact O-N 3.22Å; S588-S592 PolarHBondContact O-OG 3.4Å; S589-S592 PolarHBondContact O-N 3.34Å; F590-S592 VanDerWaalsContact C-N 3.33Å; F590-S592 PolarHBondContact O-N 3.02Å; S592-V595 PolarHBondContact O-N 3.48Å; S592-A596 PolarHBondContact O-N 3.37Å
593	F	96.1	Very high	94.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.4	-41.2	176.1	-169.7	-92.9	0	0	0	112.3	L548 A551 R552 L555 S589 F590 K591 V595 A596 V597 L648 C651	L548-F593 HydrophobicContact CD2-CE2 4.35Å; L548-F593 HydrophobicContact CD2-CZ 4.3Å; A551-F593 HydrophobicContact CB-CD2 3.88Å; R552-F593 HydrophobicContact CB-CD2 4.32Å; R552-F593 HydrophobicContact CB-CE2 4.03Å; L555-F593 HydrophobicContact CD1-CB 3.91Å; L555-F593 HydrophobicContact CD1-CD1 4.39Å; L555-F593 HydrophobicContact CD1-CD2 3.94Å; L555-F593 HydrophobicContact CD1-CG 3.79Å; L555-F593 HydrophobicContact CG-CB 4.43Å; S589-F593 WeakPolarHBondContact O-CB 3.32Å; S589-F593 PolarHBondContact O-N 2.9Å; F590-F593 PolarHBondContact O-N 3.11Å; K591-F593 VanDerWaalsContact C-N 3.32Å; K591-F593 PolarHBondContact O-N 2.94Å; F593-V595 VanDerWaalsContact C-N 3.34Å; F593-V595 PolarHBondContact O-N 3.09Å; F593-A596 WeakPolarHBondContact O-CB 3.48Å; F593-A596 PolarHBondContact O-N 3.02Å; F593-A596 VanDerWaalsContact O-N 3.11Å; F593-V597 HydrophobicContact CD1-CG2 3.89Å; F593-V597 HydrophobicContact CE1-CG2 3.39Å; F593-V597 HydrophobicContact CZ-CG2 3.89Å; F593-V597 WeakPolarHBondContact O-CG2 3.39Å; F593-V597 PolarHBondContact O-N 3.5Å; F593-L648 HydrophobicContact CE1-CD2 4.15Å; F593-L648 HydrophobicContact CE1-CG 4.14Å; F593-C651 WeakPolarHBondContact CD1-SG 3.46Å
594	M	96.4	Very high	94.5	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-43.9	175.3	-71.2	-60	165.6	0	0	111.9	F590 K591 A596 V597 Q598 L648 C651 A703 A706 L707 F715	F590-M594 HydrophobicContact CD1-CG 4.08Å; F590-M594 HydrophobicContact CD2-CE 4.45Å; F590-M594 HydrophobicContact CE1-CE 3.97Å; F590-M594 HydrophobicContact CE1-CG 3.77Å; F590-M594 HydrophobicContact CE2-CE 3.71Å; F590-M594 HydrophobicContact CZ-CE 3.43Å; F590-M594 VanDerWaalsContact CZ-CE 3.43Å; F590-M594 HydrophobicContact CZ-CG 4.23Å; F590-M594 WeakPolarHBondContact O-CG 3.44Å; F590-M594 PolarHBondContact O-N 3.42Å; K591-M594 PolarHBondContact O-N 3Å; M594-A596 VanDerWaalsContact C-N 3.32Å; M594-A596 PolarHBondContact O-N 3.22Å; M594-V597 PolarHBondContact O-N 2.87Å; M594-Q598 PolarHBondContact O-N 2.95Å; M594-L648 HydrophobicContact CE-CD2 3.8Å; M594-L648 HydrophobicContact SD-CD2 4.12Å; M594-C651 HydrophobicContact CE-CB 4Å; M594-A703 HydrophobicContact CE-CB 4Å; M594-A703 HydrophobicContact SD-CB 4.07Å; M594-A706 HydrophobicContact CB-CB 3.84Å; M594-A706 WeakPolarHBondContact O-CB 3.38Å; M594-A706 HydrophobicContact SD-CB 4.48Å; M594-L707 HydrophobicContact SD-CD1 4.31Å; M594-L707 HydrophobicContact SD-CG 4.27Å; M594-F715 HydrophobicContact CE-CE1 4.15Å; M594-F715 HydrophobicContact CE-CE2 3.78Å; M594-F715 HydrophobicContact CE-CZ 3.5Å; M594-F715 VanDerWaalsContact CE-CZ 3.5Å
595	V	93.9	Very high	94.8	Very high	45 Å²	45	29.7 Å²	29.7	27%	0.273	18%	0.182	S	C	.	.	H	α-helix	trans	-60.9	-41.5	173.9	173.1	0	0	0	0	111.3	K591 S592 F593 V597 Q598 R599	K591-V595 WeakPolarHBondContact O-CG2 3.4Å; K591-V595 PolarHBondContact O-N 3.39Å; S592-V595 PolarHBondContact O-N 3.48Å; F593-V595 VanDerWaalsContact C-N 3.34Å; F593-V595 PolarHBondContact O-N 3.09Å; V595-V597 PolarHBondContact O-N 3.47Å; V595-Q598 PolarHBondContact O-N 3.4Å; V595-R599 HydrophobicContact CG1-CG 4.36Å; V595-R599 VanDerWaalsContact O-CG 3.32Å; V595-R599 WeakPolarHBondContact O-CG 3.46Å; V595-R599 PolarHBondContact O-N 3.43Å
596	A	95	Very high	95	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.3	-41.5	176.9	0	0	0	0	0	112.3	I496 L548 A551 S592 F593 M594 R599 C600	I496-A596 HydrophobicContact CD1-CB 4.45Å; L548-A596 HydrophobicContact CD2-CB 4.19Å; A551-A596 HydrophobicContact CB-CB 3.74Å; S592-A596 PolarHBondContact O-N 3.37Å; F593-A596 WeakPolarHBondContact O-CB 3.48Å; F593-A596 PolarHBondContact O-N 3.02Å; F593-A596 VanDerWaalsContact O-N 3.11Å; M594-A596 VanDerWaalsContact C-N 3.32Å; M594-A596 PolarHBondContact O-N 3.22Å; A596-R599 PolarHBondContact O-N 3.11Å; A596-C600 VanDerWaalsContact O-CB 3.31Å; A596-C600 WeakPolarHBondContact O-CB 3.48Å; A596-C600 PolarHBondContact O-N 3.43Å
597	V	96.1	Very high	95.2	Very high	20 Å²	20	30.1 Å²	30.1	12%	0.121	18%	0.179	C	C	.	.	H	α-helix	trans	-62.9	-46	175.5	173.1	0	0	0	0	111.3	L548 F593 M594 V595 R599 C600 G601 L648 L707	L548-V597 HydrophobicContact CD2-CG2 4.05Å; F593-V597 HydrophobicContact CD1-CG2 3.89Å; F593-V597 HydrophobicContact CE1-CG2 3.39Å; F593-V597 HydrophobicContact CZ-CG2 3.89Å; F593-V597 WeakPolarHBondContact O-CG2 3.39Å; F593-V597 PolarHBondContact O-N 3.5Å; M594-V597 PolarHBondContact O-N 2.87Å; V595-V597 PolarHBondContact O-N 3.47Å; V597-R599 PolarHBondContact O-N 3.04Å; V597-C600 WeakPolarHBondContact O-CB 3.4Å; V597-C600 PolarHBondContact O-N 3.47Å; V597-G601 PolarHBondContact O-N 3.03Å; V597-L648 HydrophobicContact CG2-CD2 4.4Å; V597-L707 HydrophobicContact CG1-CD2 3.78Å
598	Q	94.7	Very high	95.4	Very high	86 Å²	86	33.9 Å²	33.9	40%	0.402	20%	0.197	S	C	.	.	H	α-helix	trans	-59.8	-45.5	178.3	-172.3	-176.6	14.1	0	0	111.9	M594 V595 G601 S602 A706	M594-Q598 PolarHBondContact O-N 2.95Å; V595-Q598 PolarHBondContact O-N 3.4Å; Q598-G601 PolarHBondContact O-N 3.29Å; Q598-S602 PolarHBondContact O-N 2.98Å; Q598-S602 PolarHBondContact O-OG 3.07Å; Q598-A706 HydrophobicContact CB-CB 4.01Å
599	R	94.4	Very high	95.6	Very high	76 Å²	76	36.6 Å²	36.6	29%	0.287	20%	0.202	S	C	.	.	H	α-helix	trans	-68	-36.5	178.5	-67.1	-174.1	-171.8	176.6	3.8	112	Q495 I496 V498 V595 A596 V597 S602 S603	Q495-R599 VanDerWaalsContact CB-NH1 3.29Å; I496-R599 HydrophobicContact CB-CB 4.23Å; I496-R599 HydrophobicContact CG2-CB 4.17Å; I496-R599 WeakPolarHBondContact O-CD 3.33Å; I496-R599 PolarHBondContact O-NH1 3.33Å; V498-R599 HydrophobicContact CG2-CB 4.14Å; V498-R599 HydrophobicContact CG2-CG 4.3Å; V595-R599 HydrophobicContact CG1-CG 4.36Å; V595-R599 VanDerWaalsContact O-CG 3.32Å; V595-R599 WeakPolarHBondContact O-CG 3.46Å; V595-R599 PolarHBondContact O-N 3.43Å; A596-R599 PolarHBondContact O-N 3.11Å; V597-R599 PolarHBondContact O-N 3.04Å; R599-S602 PolarHBondContact O-N 3.2Å; R599-S603 WeakPolarHBondContact O-CB 3.41Å; R599-S603 PolarHBondContact O-N 3.29Å; R599-S603 PolarHBondContact O-OG 2.95Å; R599-S603 VanDerWaalsContact O-OG 3.12Å
600	C	95.2	Very high	95.8	Very high	11 Å²	11	36.9 Å²	36.9	7%	0.074	20%	0.203	C	C	.	.	H	α-helix	trans	-59.3	-47.7	171.4	-176.1	0	0	0	0	111.4	I496 L548 A596 V597 S602 S603 V604	I496-C600 HydrophobicContact CD1-CB 4.13Å; L548-C600 HydrophobicContact CD1-CB 4.37Å; L548-C600 HydrophobicContact CD2-CB 4.41Å; A596-C600 VanDerWaalsContact O-CB 3.31Å; A596-C600 WeakPolarHBondContact O-CB 3.48Å; A596-C600 PolarHBondContact O-N 3.43Å; V597-C600 WeakPolarHBondContact O-CB 3.4Å; V597-C600 PolarHBondContact O-N 3.47Å; C600-S602 VanDerWaalsContact C-N 3.33Å; C600-S602 PolarHBondContact O-N 2.74Å; C600-S603 WeakPolarHBondContact O-CB 3.07Å; C600-S603 PolarHBondContact O-N 3.01Å; C600-V604 WeakPolarHBondContact O-CG2 2.81Å; C600-V604 PolarHBondContact O-N 3.1Å
601	G	94.5	Very high	95.8	Very high	43 Å²	43	37.4 Å²	37.4	44%	0.443	21%	0.205	S	C	.	.	H	α-helix	trans	-58.6	-43	176.1	0	0	0	0	0	112.8	V597 Q598 V604 A605	V597-G601 PolarHBondContact O-N 3.03Å; Q598-G601 PolarHBondContact O-N 3.29Å; G601-V604 PolarHBondContact O-N 3.26Å; G601-A605 WeakPolarHBondContact O-CB 3.36Å; G601-A605 PolarHBondContact O-N 2.82Å
602	S	95.5	Very high	95.9	Very high	52 Å²	52	36.4 Å²	36.4	36%	0.364	21%	0.211	S	C	.	.	H	α-helix	trans	-62	-44.2	175.7	-56.6	0	0	0	0	112.1	Q598 R599 C600 V604 A605 I606	Q598-S602 PolarHBondContact O-N 2.98Å; Q598-S602 PolarHBondContact O-OG 3.07Å; R599-S602 PolarHBondContact O-N 3.2Å; C600-S602 VanDerWaalsContact C-N 3.33Å; C600-S602 PolarHBondContact O-N 2.74Å; S602-V604 PolarHBondContact O-N 3.48Å; S602-A605 PolarHBondContact O-N 3.17Å; S602-I606 WeakPolarHBondContact O-CG1 3.23Å; S602-I606 PolarHBondContact O-N 3.45Å
603	S	96.5	Very high	96	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.2	-42.8	176	-68.9	0	0	0	0	112.6	V501 R599 C600 I606 V607	V501-S603 WeakPolarHBondContact CG2-OG 3.35Å; R599-S603 WeakPolarHBondContact O-CB 3.41Å; R599-S603 PolarHBondContact O-N 3.29Å; R599-S603 PolarHBondContact O-OG 2.95Å; R599-S603 VanDerWaalsContact O-OG 3.12Å; C600-S603 WeakPolarHBondContact O-CB 3.07Å; C600-S603 PolarHBondContact O-N 3.01Å; S603-I606 PolarHBondContact O-N 3.15Å; S603-V607 PolarHBondContact O-N 3.1Å
604	V	96	Very high	96	Very high	27 Å²	27	41.6 Å²	41.6	16%	0.164	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-42.9	176.1	170.2	0	0	0	0	111	I544 C600 G601 S602 I606 V607 Q608 L637	I544-V604 HydrophobicContact CD1-CG2 4.14Å; C600-V604 WeakPolarHBondContact O-CG2 2.81Å; C600-V604 PolarHBondContact O-N 3.1Å; G601-V604 PolarHBondContact O-N 3.26Å; S602-V604 PolarHBondContact O-N 3.48Å; V604-I606 VanDerWaalsContact C-N 3.32Å; V604-I606 PolarHBondContact O-N 3.15Å; V604-V607 PolarHBondContact O-N 3.33Å; V604-Q608 HydrophobicContact CG1-CG 4.26Å; V604-Q608 WeakPolarHBondContact O-CG 3.35Å; V604-Q608 PolarHBondContact O-N 3.39Å; V604-L637 HydrophobicContact CG1-CD1 3.7Å; V604-L637 HydrophobicContact CG2-CD1 4.25Å; V604-L637 HydrophobicContact CG2-CD2 3.9Å
605	A	96.2	Very high	96	Very high	48 Å²	48	41.5 Å²	41.5	40%	0.397	24%	0.241	S	C	.	.	H	α-helix	trans	-60.3	-41.1	177.4	0	0	0	0	0	112.3	G601 S602 V607 Q608 Q609	G601-A605 WeakPolarHBondContact O-CB 3.36Å; G601-A605 PolarHBondContact O-N 2.82Å; S602-A605 PolarHBondContact O-N 3.17Å; A605-V607 PolarHBondContact O-N 3.39Å; A605-Q608 PolarHBondContact O-N 3.4Å; A605-Q609 WeakPolarHBondContact O-CB 3.48Å; A605-Q609 PolarHBondContact O-N 2.99Å
606	I	97.8	Very high	96.2	Very high	40 Å²	40	40.3 Å²	40.3	21%	0.205	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-46.6	175.6	-71	169.1	0	0	0	111.1	V498 V505 S602 S603 V604 Q609 Y610	V498-I606 HydrophobicContact CG1-CD1 3.28Å; V505-I606 HydrophobicContact CG2-CG2 3.94Å; S602-I606 WeakPolarHBondContact O-CG1 3.23Å; S602-I606 PolarHBondContact O-N 3.45Å; S603-I606 PolarHBondContact O-N 3.15Å; V604-I606 VanDerWaalsContact C-N 3.32Å; V604-I606 PolarHBondContact O-N 3.15Å; I606-Q609 PolarHBondContact O-N 3.33Å; I606-Y610 WeakPolarHBondContact O-CB 3.42Å; I606-Y610 PolarHBondContact O-N 3.49Å
607	V	97.8	Very high	96.2	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-65.1	-41.9	178.8	175.9	0	0	0	0	111.4	V501 V505 F533 L537 V540 S603 V604 A605 Y610 F611 M633	V501-V607 HydrophobicContact CG1-CG2 4.15Å; V505-V607 HydrophobicContact CG2-CG2 4.47Å; F533-V607 HydrophobicContact CE2-CG1 4.32Å; F533-V607 HydrophobicContact CZ-CG1 4.29Å; L537-V607 HydrophobicContact CD2-CG1 3.91Å; V540-V607 HydrophobicContact CB-CG2 4.45Å; V540-V607 HydrophobicContact CG1-CG2 4.09Å; V540-V607 HydrophobicContact CG2-CG2 3.95Å; S603-V607 PolarHBondContact O-N 3.1Å; V604-V607 PolarHBondContact O-N 3.33Å; A605-V607 PolarHBondContact O-N 3.39Å; V607-Y610 PolarHBondContact O-N 2.74Å; V607-F611 WeakPolarHBondContact O-CB 3.43Å; V607-F611 PolarHBondContact O-N 3.47Å; V607-M633 HydrophobicContact CG1-SD 4.32Å
608	Q	96.9	Very high	96.2	Very high	98 Å²	98	49.8 Å²	49.8	46%	0.458	27%	0.271	S	S	.	.	H	α-helix	trans	-63.8	-41.2	177.1	-72.7	175.1	-17.1	0	0	112.1	V604 A605 F611 A612 M633	V604-Q608 HydrophobicContact CG1-CG 4.26Å; V604-Q608 WeakPolarHBondContact O-CG 3.35Å; V604-Q608 PolarHBondContact O-N 3.39Å; A605-Q608 PolarHBondContact O-N 3.4Å; Q608-F611 PolarHBondContact O-N 3.42Å; Q608-A612 WeakPolarHBondContact O-CB 3.27Å; Q608-A612 PolarHBondContact O-N 3.36Å; Q608-M633 HydrophobicContact CG-CE 4.42Å; Q608-M633 HydrophobicContact CG-SD 4.23Å
609	Q	97.4	Very high	96.3	Very high	122 Å²	122	45.7 Å²	45.7	57%	0.57	25%	0.252	S	S	*	.	H	α-helix	trans	-65.3	-44.4	176.3	-176.8	175.7	1.8	0	0	111.4	A605 I606 F611 A612 N613	A605-Q609 WeakPolarHBondContact O-CB 3.48Å; A605-Q609 PolarHBondContact O-N 2.99Å; I606-Q609 PolarHBondContact O-N 3.33Å; Q609-F611 VanDerWaalsContact C-N 3.33Å; Q609-F611 PolarHBondContact O-N 3.28Å; Q609-A612 PolarHBondContact O-N 2.9Å; Q609-N613 WeakPolarHBondContact CG-ND2 3.5Å; Q609-N613 VanDerWaalsContact O-CB 3.31Å; Q609-N613 WeakPolarHBondContact O-CB 3.31Å; Q609-N613 VanDerWaalsContact O-CG 3.28Å; Q609-N613 PolarHBondContact O-N 3.29Å; Q609-N613 PolarHBondContact O-ND2 3.31Å
610	Y	97.6	Very high	96.2	Very high	11 Å²	11	47.3 Å²	47.3	4%	0.043	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-42.9	174.5	173.2	-123.5	0	0	0	111.9	V505 N508 E509 I512 F533 L536 I606 V607 A612 N613 S614 I615	V505-Y610 HydrophobicContact CG1-CD1 3.99Å; V505-Y610 HydrophobicContact CG1-CD2 3.92Å; V505-Y610 HydrophobicContact CG1-CE1 4.46Å; V505-Y610 HydrophobicContact CG1-CE2 4.44Å; V505-Y610 HydrophobicContact CG1-CG 3.68Å; V505-Y610 HydrophobicContact CG2-CD1 4.46Å; N508-Y610 HydrophobicContact CB-CE1 4.1Å; N508-Y610 VanDerWaalsContact OD1-CE1 3.31Å; N508-Y610 WeakPolarHBondContact OD1-CE1 3.34Å; N508-Y610 PolarHBondContact OD1-OH 2.82Å; E509-Y610 HydrophobicContact CG-CD2 4.02Å; E509-Y610 HydrophobicContact CG-CE2 3.35Å; E509-Y610 PolarHBondContact N-OH 3.05Å; I512-Y610 VanDerWaalsContact CG1-OH 3.31Å; I512-Y610 WeakPolarHBondContact CG1-OH 3.42Å; F533-Y610 HydrophobicContact CD2-CE1 4.24Å; F533-Y610 HydrophobicContact CE2-CD1 4.24Å; F533-Y610 HydrophobicContact CE2-CE1 4.42Å; L536-Y610 HydrophobicContact CD2-CD1 3.72Å; L536-Y610 HydrophobicContact CD2-CE1 3.72Å; I606-Y610 WeakPolarHBondContact O-CB 3.42Å; I606-Y610 PolarHBondContact O-N 3.49Å; V607-Y610 PolarHBondContact O-N 2.74Å; Y610-A612 PolarHBondContact O-N 2.97Å; Y610-N613 PolarHBondContact O-N 3.05Å; Y610-S614 WeakPolarHBondContact O-CB 3.44Å; Y610-S614 PolarHBondContact O-N 3.41Å; Y610-I615 HydrophobicContact CD1-CG1 4.17Å; Y610-I615 HydrophobicContact CE1-CD1 3.77Å; Y610-I615 HydrophobicContact CE1-CG1 3.78Å; Y610-I615 HydrophobicContact CE2-CD1 4.34Å; Y610-I615 HydrophobicContact CE2-CG1 4.46Å; Y610-I615 PolarHBondContact O-N 3.07Å; Y610-I615 WeakPolarHBondContact OH-CD1 3.35Å
611	F	97.8	Very high	96.2	Very high	12 Å²	12	51 Å²	51	5%	0.053	29%	0.29	C	S	.	.	I	π-helix	trans	-59.3	-49	175.2	179.5	-95.6	0	0	0	111.9	F533 V607 Q608 Q609 I615 S616 L619 H626 C630 M633	F533-F611 HydrophobicContact CD1-CD2 4.19Å; F533-F611 HydrophobicContact CD1-CE2 4.49Å; F533-F611 AromaticContact CE1-CD2 3.45Å; F533-F611 HydrophobicContact CE1-CD2 3.45Å; F533-F611 VanDerWaalsContact CE1-CD2 3.45Å; F533-F611 AromaticContact CE1-CE2 3.95Å; F533-F611 HydrophobicContact CE1-CE2 3.95Å; F533-F611 HydrophobicContact CE1-CG 4.42Å; F533-F611 HydrophobicContact CE2-CB 4.32Å; F533-F611 HydrophobicContact CE2-CD2 4.19Å; F533-F611 HydrophobicContact CZ-CB 3.92Å; F533-F611 AromaticContact CZ-CD2 3.46Å; F533-F611 HydrophobicContact CZ-CD2 3.46Å; F533-F611 VanDerWaalsContact CZ-CD2 3.46Å; F533-F611 HydrophobicContact CZ-CE2 4.4Å; F533-F611 HydrophobicContact CZ-CG 4.07Å; V607-F611 WeakPolarHBondContact O-CB 3.43Å; V607-F611 PolarHBondContact O-N 3.47Å; Q608-F611 PolarHBondContact O-N 3.42Å; Q609-F611 VanDerWaalsContact C-N 3.33Å; Q609-F611 PolarHBondContact O-N 3.28Å; F611-I615 HydrophobicContact CD2-CB 3.84Å; F611-I615 HydrophobicContact CD2-CG2 3.75Å; F611-I615 HydrophobicContact CE2-CB 4.36Å; F611-I615 HydrophobicContact CE2-CG2 3.87Å; F611-I615 HydrophobicContact CG-CB 4.5Å; F611-I615 PolarHBondContact O-N 3.42Å; F611-S616 WeakPolarHBondContact O-CB 3.47Å; F611-S616 PolarHBondContact O-N 3.2Å; F611-L619 HydrophobicContact CE2-CD1 4.17Å; F611-H626 AromaticContact CE1-CE1 3.93Å; F611-H626 AromaticContact CE1-NE2 3.6Å; F611-H626 AromaticContact CZ-NE2 3.79Å; F611-C630 VanDerWaalsContact CE1-SG 3.52Å; F611-C630 VanDerWaalsContact CZ-SG 3.51Å; F611-M633 HydrophobicContact CB-SD 4.39Å; F611-M633 HydrophobicContact CD1-CE 4.18Å; F611-M633 HydrophobicContact CG-CE 4.31Å; F611-M633 HydrophobicContact CG-SD 4.49Å
612	A	96.4	Very high	96.2	Very high	56 Å²	56	51.1 Å²	51.1	46%	0.463	28%	0.282	S	S	.	.	I	π-helix	trans	-65.8	-40.8	-178.5	0	0	0	0	0	112.9	Q608 Q609 Y610	Q608-A612 WeakPolarHBondContact O-CB 3.27Å; Q608-A612 PolarHBondContact O-N 3.36Å; Q609-A612 PolarHBondContact O-N 2.9Å; Y610-A612 PolarHBondContact O-N 2.97Å
613	N	94.9	Very high	96	Very high	79 Å²	79	56.4 Å²	56.4	42%	0.422	31%	0.306	S	S	.	.	I	π-helix	trans	-80.9	-36.7	-173.2	-71	-14.7	0	0	0	113.2	Q609 Y610 R617	Q609-N613 WeakPolarHBondContact CG-ND2 3.5Å; Q609-N613 VanDerWaalsContact O-CB 3.31Å; Q609-N613 WeakPolarHBondContact O-CB 3.31Å; Q609-N613 VanDerWaalsContact O-CG 3.28Å; Q609-N613 PolarHBondContact O-N 3.29Å; Q609-N613 PolarHBondContact O-ND2 3.31Å; Y610-N613 PolarHBondContact O-N 3.05Å; N613-R617 VanDerWaalsContact O-CZ 3.3Å; N613-R617 PolarHBondContact O-NE 2.71Å
614	S	94.5	Very high	95.9	Very high	45 Å²	45	58.9 Å²	58.9	32%	0.315	33%	0.331	S	S	.	.	I	π-helix	trans	-118.8	-57.9	-168.1	-55.6	0	0	0	0	112	Y610	Y610-S614 WeakPolarHBondContact O-CB 3.44Å; Y610-S614 PolarHBondContact O-N 3.41Å
615	I	97.5	Very high	95.8	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.329	C	S	.	.	I	π-helix	trans	-68.2	-44.6	-170.6	-56.7	-60.3	0	0	0	112.1	I512 V529 F533 Y610 F611 R617 L618 L619	I512-I615 HydrophobicContact CD1-CD1 4Å; I512-I615 HydrophobicContact CG1-CD1 3.87Å; V529-I615 HydrophobicContact CG1-CD1 4.29Å; V529-I615 HydrophobicContact CG1-CG2 4.06Å; F533-I615 HydrophobicContact CB-CG2 4.42Å; F533-I615 HydrophobicContact CD1-CG2 4.36Å; F533-I615 HydrophobicContact CD2-CD1 4.18Å; F533-I615 HydrophobicContact CD2-CG1 3.76Å; F533-I615 HydrophobicContact CD2-CG2 4.41Å; F533-I615 HydrophobicContact CE2-CG1 4.1Å; F533-I615 HydrophobicContact CG-CG1 4.3Å; F533-I615 HydrophobicContact CG-CG2 4.15Å; Y610-I615 HydrophobicContact CD1-CG1 4.17Å; Y610-I615 HydrophobicContact CE1-CD1 3.77Å; Y610-I615 HydrophobicContact CE1-CG1 3.78Å; Y610-I615 HydrophobicContact CE2-CD1 4.34Å; Y610-I615 HydrophobicContact CE2-CG1 4.46Å; Y610-I615 PolarHBondContact O-N 3.07Å; Y610-I615 WeakPolarHBondContact OH-CD1 3.35Å; F611-I615 HydrophobicContact CD2-CB 3.84Å; F611-I615 HydrophobicContact CD2-CG2 3.75Å; F611-I615 HydrophobicContact CE2-CB 4.36Å; F611-I615 HydrophobicContact CE2-CG2 3.87Å; F611-I615 HydrophobicContact CG-CB 4.5Å; F611-I615 PolarHBondContact O-N 3.42Å; I615-R617 VanDerWaalsContact C-N 3.26Å; I615-R617 PolarHBondContact O-N 3.06Å; I615-L618 PolarHBondContact O-N 3.42Å; I615-L619 HydrophobicContact CG2-CD1 3.66Å; I615-L619 HydrophobicContact CG2-CG 4.08Å; I615-L619 PolarHBondContact O-N 3.07Å
616	S	96.9	Very high	95.8	Very high	19 Å²	19	58.6 Å²	58.6	13%	0.133	32%	0.322	C	S	.	.	H	α-helix	trans	-52.4	-44.8	-175.6	177.7	0	0	0	0	112	F611 L618 L619 L620 H626	F611-S616 WeakPolarHBondContact O-CB 3.47Å; F611-S616 PolarHBondContact O-N 3.2Å; S616-L618 VanDerWaalsContact C-N 3.27Å; S616-L618 PolarHBondContact O-N 3.01Å; S616-L619 PolarHBondContact O-N 3.22Å; S616-L619 VanDerWaalsContact O-N 3.12Å; S616-L620 VanDerWaalsContact O-CG 3.29Å; S616-L620 WeakPolarHBondContact O-CG 3.36Å; S616-L620 PolarHBondContact O-N 3.41Å; S616-H626 PolarHBondContact OG-CD2 3.48Å; S616-H626 PolarHBondContact OG-NE2 3.49Å
617	R	95.1	Very high	95.7	Very high	175 Å²	175	59.2 Å²	59.2	66%	0.66	33%	0.333	S	S	*	.	H	α-helix	trans	-63.1	-31.6	-178.6	-59.6	178.4	-172.6	174.1	4.6	113.3	N613 I615 P621	N613-R617 VanDerWaalsContact O-CZ 3.3Å; N613-R617 PolarHBondContact O-NE 2.71Å; I615-R617 VanDerWaalsContact C-N 3.26Å; I615-R617 PolarHBondContact O-N 3.06Å; R617-P621 WeakPolarHBondContact O-CD 3.47Å
618	L	96.2	Very high	95.5	Very high	45 Å²	45	60.4 Å²	60.4	24%	0.236	34%	0.343	C	S	.	.	H	α-helix	trans	-82.3	-19.4	179.8	-59.1	177	0	0	0	112.5	I512 T516 V529 I615 S616	I512-L618 HydrophobicContact CG2-CD1 3.41Å; I512-L618 VanDerWaalsContact CG2-CD1 3.41Å; T516-L618 HydrophobicContact CG2-CD1 4.07Å; T516-L618 HydrophobicContact CG2-CD2 4.11Å; V529-L618 HydrophobicContact CG1-CB 4.17Å; V529-L618 HydrophobicContact CG1-CD1 4.37Å; V529-L618 HydrophobicContact CG2-CB 4.2Å; V529-L618 HydrophobicContact CG2-CD1 3.99Å; I615-L618 PolarHBondContact O-N 3.42Å; S616-L618 VanDerWaalsContact C-N 3.27Å; S616-L618 PolarHBondContact O-N 3.01Å
619	L	96.6	Very high	95.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-95	-28.9	179.5	-61.8	-179.5	0	0	0	113.3	A526 V529 K530 F611 I615 S616 P621 V622 A625 H626 S629	A526-L619 HydrophobicContact CB-CD2 4.19Å; A526-L619 WeakPolarHBondContact O-CD2 3.29Å; V529-L619 HydrophobicContact CB-CD2 4.25Å; V529-L619 HydrophobicContact CG1-CD2 3.87Å; V529-L619 HydrophobicContact CG1-CG 4.32Å; K530-L619 HydrophobicContact CB-CD2 4.36Å; F611-L619 HydrophobicContact CE2-CD1 4.17Å; I615-L619 HydrophobicContact CG2-CD1 3.66Å; I615-L619 HydrophobicContact CG2-CG 4.08Å; I615-L619 PolarHBondContact O-N 3.07Å; S616-L619 PolarHBondContact O-N 3.22Å; S616-L619 VanDerWaalsContact O-N 3.12Å; L619-P621 VanDerWaalsContact C-N 3.34Å; L619-V622 PolarHBondContact O-N 3.13Å; L619-V622 VanDerWaalsContact O-N 3.11Å; L619-A625 HydrophobicContact CB-CB 4.28Å; L619-A625 HydrophobicContact CD2-CB 4.41Å; L619-H626 HydrophobicContact CB-CB 4.25Å; L619-S629 VanDerWaalsContact CD1-OG 3.28Å; L619-S629 WeakPolarHBondContact CD1-OG 3.4Å
620	L	94.2	Very high	95.3	Very high	109 Å²	109	52 Å²	52	57%	0.571	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-32.7	-177.7	-78.2	168.7	0	0	0	115.9	S616 V622 H626	S616-L620 VanDerWaalsContact O-CG 3.29Å; S616-L620 WeakPolarHBondContact O-CG 3.36Å; S616-L620 PolarHBondContact O-N 3.41Å; L620-V622 PolarHBondContact O-N 2.86Å; L620-V622 VanDerWaalsContact O-N 3.16Å; L620-H626 HydrophobicContact CD2-CB 4.41Å
621	P	93.7	Very high	95.2	Very high	90 Å²	90	57.9 Å²	57.9	58%	0.584	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-13.2	176.8	-24.7	35.9	0	0	0	114.8	P522 R617 L619	P522-P621 HydrophobicContact CB-CB 4.47Å; R617-P621 WeakPolarHBondContact O-CD 3.47Å; L619-P621 VanDerWaalsContact C-N 3.34Å
622	V	94.5	Very high	95.1	Very high	45 Å²	45	60.2 Å²	60.2	27%	0.273	35%	0.347	S	S	.	.	S	Bend	trans	-116.6	117	-178.8	-179.7	0	0	0	0	109.7	A526 L619 L620 G624 A625	A526-V622 HydrophobicContact CB-CB 3.93Å; A526-V622 HydrophobicContact CB-CG2 3.53Å; L619-V622 PolarHBondContact O-N 3.13Å; L619-V622 VanDerWaalsContact O-N 3.11Å; L620-V622 PolarHBondContact O-N 2.86Å; L620-V622 VanDerWaalsContact O-N 3.16Å; V622-G624 PolarHBondContact O-N 2.84Å; V622-A625 HydrophobicContact CB-CB 4Å; V622-A625 HydrophobicContact CG1-CB 4.1Å; V622-A625 WeakPolarHBondContact O-CB 3.48Å; V622-A625 PolarHBondContact O-N 3Å; V622-A625 VanDerWaalsContact O-N 3.13Å
623	D	92.4	Very high	95.1	Very high	163 Å²	163	58.6 Å²	58.6	87%	0.872	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	129	-177.3	-71.2	-27.6	0	0	0	112	A625	D623-A625 PolarHBondContact O-N 3.31Å
624	G	93.6	Very high	95.1	Very high	52 Å²	52	58.4 Å²	58.4	54%	0.536	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	-15.2	178.6	0	0	0	0	0	115.8	V622 H626 A627 A628	V622-G624 PolarHBondContact O-N 2.84Å; G624-H626 PolarHBondContact O-N 2.86Å; G624-A627 PolarHBondContact O-N 3.22Å; G624-A628 WeakPolarHBondContact O-CB 3.31Å; G624-A628 PolarHBondContact O-N 3.26Å
625	A	94.7	Very high	95.1	Very high	14 Å²	14	60.8 Å²	60.8	12%	0.116	35%	0.348	C	S	.	.	H	α-helix	trans	-61.9	-45	-178.1	0	0	0	0	0	112.1	L619 V622 D623 A628 S629	L619-A625 HydrophobicContact CB-CB 4.28Å; L619-A625 HydrophobicContact CD2-CB 4.41Å; V622-A625 HydrophobicContact CB-CB 4Å; V622-A625 HydrophobicContact CG1-CB 4.1Å; V622-A625 WeakPolarHBondContact O-CB 3.48Å; V622-A625 PolarHBondContact O-N 3Å; V622-A625 VanDerWaalsContact O-N 3.13Å; D623-A625 PolarHBondContact O-N 3.31Å; A625-A628 PolarHBondContact O-N 2.62Å; A625-S629 PolarHBondContact O-N 2.87Å; A625-S629 VanDerWaalsContact O-N 3.07Å; A625-S629 PolarHBondContact O-OG 3.41Å
626	H	94.7	Very high	94.9	Very high	55 Å²	55	61.4 Å²	61.4	26%	0.255	35%	0.353	S	S	.	.	H	α-helix	trans	-58.9	-49.8	176.1	-179.3	-75.3	0	0	0	112.3	F611 S616 L619 L620 G624 A628 S629 C630	F611-H626 AromaticContact CE1-CE1 3.93Å; F611-H626 AromaticContact CE1-NE2 3.6Å; F611-H626 AromaticContact CZ-NE2 3.79Å; S616-H626 PolarHBondContact OG-CD2 3.48Å; S616-H626 PolarHBondContact OG-NE2 3.49Å; L619-H626 HydrophobicContact CB-CB 4.25Å; L620-H626 HydrophobicContact CD2-CB 4.41Å; G624-H626 PolarHBondContact O-N 2.86Å; H626-A628 PolarHBondContact O-N 3.16Å; H626-S629 PolarHBondContact O-N 3.17Å; H626-C630 PolarHBondContact CE1-SG 3.31Å; H626-C630 PolarHBondContact O-N 2.84Å; H626-C630 PolarHBondContact O-SG 3.5Å; H626-C630 VanDerWaalsContact O-SG 3.37Å
627	A	95.5	Very high	94.8	Very high	52 Å²	52	61 Å²	61	43%	0.43	35%	0.35	S	S	.	.	H	α-helix	trans	-61.9	-44.3	-178.8	0	0	0	0	0	111.5	G624 S629 C630 E631	G624-A627 PolarHBondContact O-N 3.22Å; A627-S629 VanDerWaalsContact C-N 3.32Å; A627-S629 PolarHBondContact O-N 3.07Å; A627-C630 WeakPolarHBondContact O-CB 3.25Å; A627-C630 PolarHBondContact O-N 2.99Å; A627-C630 VanDerWaalsContact O-N 3.14Å; A627-E631 PolarHBondContact O-N 3.37Å
628	A	94.9	Very high	94.8	Very high	27 Å²	27	55.2 Å²	55.2	22%	0.223	34%	0.335	C	S	.	.	H	α-helix	trans	-60.5	-39.9	176.7	0	0	0	0	0	112.3	G624 A625 H626 E631 E632	G624-A628 WeakPolarHBondContact O-CB 3.31Å; G624-A628 PolarHBondContact O-N 3.26Å; A625-A628 PolarHBondContact O-N 2.62Å; H626-A628 PolarHBondContact O-N 3.16Å; A628-E631 PolarHBondContact O-N 2.98Å; A628-E632 WeakPolarHBondContact O-CG 3.34Å; A628-E632 PolarHBondContact O-N 3.03Å
629	S	95.2	Very high	94.6	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-68.7	-32.6	175.4	-68.9	0	0	0	0	113.3	L619 A625 H626 A627 M633	L619-S629 VanDerWaalsContact CD1-OG 3.28Å; L619-S629 WeakPolarHBondContact CD1-OG 3.4Å; A625-S629 PolarHBondContact O-N 2.87Å; A625-S629 VanDerWaalsContact O-N 3.07Å; A625-S629 PolarHBondContact O-OG 3.41Å; H626-S629 PolarHBondContact O-N 3.17Å; A627-S629 VanDerWaalsContact C-N 3.32Å; A627-S629 PolarHBondContact O-N 3.07Å; S629-M633 WeakPolarHBondContact O-CB 3.47Å; S629-M633 PolarHBondContact O-N 3.43Å
630	C	94.9	Very high	94.5	Very high	42 Å²	42	59.9 Å²	59.9	28%	0.284	36%	0.355	S	S	.	.	H	α-helix	trans	-65.2	-42.6	171.7	-66.3	0	0	0	0	111.9	F611 H626 A627 M633 S634	F611-C630 VanDerWaalsContact CE1-SG 3.52Å; F611-C630 VanDerWaalsContact CZ-SG 3.51Å; H626-C630 PolarHBondContact CE1-SG 3.31Å; H626-C630 PolarHBondContact O-N 2.84Å; H626-C630 PolarHBondContact O-SG 3.5Å; H626-C630 VanDerWaalsContact O-SG 3.37Å; A627-C630 WeakPolarHBondContact O-CB 3.25Å; A627-C630 PolarHBondContact O-N 2.99Å; A627-C630 VanDerWaalsContact O-N 3.14Å; C630-M633 PolarHBondContact O-N 3.45Å; C630-S634 PolarHBondContact O-N 3.43Å
631	E	95.7	Very high	94.6	Very high	136 Å²	136	60.5 Å²	60.5	64%	0.636	36%	0.355	S	S	*	.	H	α-helix	trans	-63.8	-42	176.3	-71	-179.7	172.1	0	0	111.8	A627 A628 S634 T635	A627-E631 PolarHBondContact O-N 3.37Å; A628-E631 PolarHBondContact O-N 2.98Å; E631-S634 PolarHBondContact O-N 3.14Å; E631-T635 WeakPolarHBondContact O-CB 3.5Å; E631-T635 PolarHBondContact O-N 3.4Å; E631-T635 PolarHBondContact O-OG1 3.26Å
632	E	94.8	Very high	94.7	Very high	60 Å²	60	58.4 Å²	58.4	28%	0.28	35%	0.345	S	S	.	.	H	α-helix	trans	-62.4	-42.7	174.1	-78.3	176.8	-158.8	0	0	111.9	K530 T534 L537 A628 T635 A636	K530-E632 WeakPolarHBondContact CE-OE1 3.29Å; K530-E632 WeakPolarHBondContact CE-OE2 3.5Å; K530-E632 IonicContact NZ-OE1 2.68Å; K530-E632 PolarHBondContact NZ-OE1 2.97Å; T534-E632 PolarHBondContact OG1-OE2 3.4Å; L537-E632 HydrophobicContact CD1-CB 4.27Å; A628-E632 WeakPolarHBondContact O-CG 3.34Å; A628-E632 PolarHBondContact O-N 3.03Å; E632-T635 PolarHBondContact O-N 2.85Å; E632-A636 WeakPolarHBondContact O-CB 3.27Å; E632-A636 PolarHBondContact O-N 3.38Å
633	M	96.2	Very high	94.8	Very high	22 Å²	22	56.6 Å²	56.6	11%	0.108	34%	0.335	C	S	.	.	H	α-helix	trans	-61.2	-46.3	175.3	-178.5	168.9	62.7	0	0	111.6	F533 L537 V607 Q608 F611 S629 C630 T635 A636 L637	F533-M633 HydrophobicContact CZ-SD 4.21Å; L537-M633 HydrophobicContact CD1-CB 3.98Å; L537-M633 HydrophobicContact CD2-CB 3.95Å; L537-M633 HydrophobicContact CD2-CG 3.75Å; L537-M633 HydrophobicContact CD2-SD 4.42Å; V607-M633 HydrophobicContact CG1-SD 4.32Å; Q608-M633 HydrophobicContact CG-CE 4.42Å; Q608-M633 HydrophobicContact CG-SD 4.23Å; F611-M633 HydrophobicContact CB-SD 4.39Å; F611-M633 HydrophobicContact CD1-CE 4.18Å; F611-M633 HydrophobicContact CG-CE 4.31Å; F611-M633 HydrophobicContact CG-SD 4.49Å; S629-M633 WeakPolarHBondContact O-CB 3.47Å; S629-M633 PolarHBondContact O-N 3.43Å; C630-M633 PolarHBondContact O-N 3.45Å; M633-T635 VanDerWaalsContact C-N 3.29Å; M633-T635 PolarHBondContact O-N 3.05Å; M633-A636 PolarHBondContact O-N 3.44Å; M633-L637 HydrophobicContact CG-CD1 4.05Å; M633-L637 VanDerWaalsContact O-CG 3.29Å; M633-L637 WeakPolarHBondContact O-CG 3.28Å; M633-L637 PolarHBondContact O-N 2.69Å; M633-L637 VanDerWaalsContact O-N 3.09Å
634	S	94.7	Very high	95	Very high	76 Å²	76	49.6 Å²	49.6	53%	0.531	30%	0.3	S	S	.	.	H	α-helix	trans	-61.4	-40.1	175.6	-173.4	0	0	0	0	111.7	C630 E631 S638	C630-S634 PolarHBondContact O-N 3.43Å; E631-S634 PolarHBondContact O-N 3.14Å; S634-S638 PolarHBondContact O-N 3.46Å; S634-S638 VanDerWaalsContact O-N 3.15Å
635	T	95.3	Very high	95.2	Very high	95 Å²	95	54.7 Å²	54.7	58%	0.583	30%	0.304	S	S	*	.	H	α-helix	trans	-67.9	-43.5	-179.6	-58.8	0	0	0	0	111.4	E631 E632 M633 L637 S638	E631-T635 WeakPolarHBondContact O-CB 3.5Å; E631-T635 PolarHBondContact O-N 3.4Å; E631-T635 PolarHBondContact O-OG1 3.26Å; E632-T635 PolarHBondContact O-N 2.85Å; M633-T635 VanDerWaalsContact C-N 3.29Å; M633-T635 PolarHBondContact O-N 3.05Å; T635-L637 PolarHBondContact O-N 2.97Å; T635-S638 PolarHBondContact O-N 3.38Å; T635-S638 PolarHBondContact O-OG 3.23Å
636	A	93	Very high	95.3	Very high	13 Å²	13	59.9 Å²	59.9	11%	0.107	32%	0.324	C	S	.	.	H	α-helix	trans	-61.1	-44.4	177.5	0	0	0	0	0	111.3	L537 S541 E632 M633 S638	L537-A636 HydrophobicContact CB-CB 3.97Å; S541-A636 WeakPolarHBondContact CB-O 3.42Å; S541-A636 PolarHBondContact OG-O 3.26Å; E632-A636 WeakPolarHBondContact O-CB 3.27Å; E632-A636 PolarHBondContact O-N 3.38Å; M633-A636 PolarHBondContact O-N 3.44Å; A636-S638 PolarHBondContact O-N 2.9Å
637	L	94.2	Very high	95.4	Very high	11 Å²	11	57.2 Å²	57.2	6%	0.058	31%	0.312	C	S	.	.	H	α-helix	trans	-76.4	-19.4	-175.9	-64.3	179.4	0	0	0	114.1	I544 V604 M633 T635 K639 A640 E641	I544-L637 HydrophobicContact CD1-CD2 4.05Å; V604-L637 HydrophobicContact CG1-CD1 3.7Å; V604-L637 HydrophobicContact CG2-CD1 4.25Å; V604-L637 HydrophobicContact CG2-CD2 3.9Å; M633-L637 HydrophobicContact CG-CD1 4.05Å; M633-L637 VanDerWaalsContact O-CG 3.29Å; M633-L637 WeakPolarHBondContact O-CG 3.28Å; M633-L637 PolarHBondContact O-N 2.69Å; M633-L637 VanDerWaalsContact O-N 3.09Å; T635-L637 PolarHBondContact O-N 2.97Å; L637-K639 PolarHBondContact O-N 3Å; L637-A640 WeakPolarHBondContact O-CB 3.43Å; L637-A640 PolarHBondContact O-N 3.25Å; L637-E641 PolarHBondContact O-N 3.31Å
638	S	95.6	Very high	95.5	Very high	52 Å²	52	56.2 Å²	56.2	36%	0.364	30%	0.299	S	S	.	.	H	α-helix	trans	-60.7	-29.1	-177.5	69	0	0	0	0	113.9	S634 T635 A636 E641 A642	S634-S638 PolarHBondContact O-N 3.46Å; S634-S638 VanDerWaalsContact O-N 3.15Å; T635-S638 PolarHBondContact O-N 3.38Å; T635-S638 PolarHBondContact O-OG 3.23Å; A636-S638 PolarHBondContact O-N 2.9Å; S638-E641 PolarHBondContact O-N 3.47Å; S638-A642 WeakPolarHBondContact O-CB 3.16Å; S638-A642 PolarHBondContact O-N 3.26Å
639	K	91.2	Very high	95.7	Very high	140 Å²	140	56.8 Å²	56.8	61%	0.609	30%	0.297	S	S	*	.	H	α-helix	trans	-66.6	-43.1	174.4	-68.9	178.2	-177	170.4	0	111.8	T545 L637 E641 A642 A643	T545-K639 HydrophobicContact CG2-CB 4.47Å; L637-K639 PolarHBondContact O-N 3Å; K639-E641 VanDerWaalsContact C-N 3.35Å; K639-A642 PolarHBondContact O-N 2.82Å; K639-A643 PolarHBondContact O-N 3.44Å
640	A	94.9	Very high	95.8	Very high	4 Å²	4	59.3 Å²	59.3	3%	0.033	31%	0.308	C	S	.	.	H	α-helix	trans	-66.1	-40.8	177.5	0	0	0	0	0	110.9	I544 T545 L548 L637 A642 A643 A644	I544-A640 HydrophobicContact CD1-CB 3.59Å; I544-A640 HydrophobicContact CG1-CB 3.62Å; T545-A640 PolarHBondContact OG1-N 3.31Å; L548-A640 HydrophobicContact CD1-CB 4.41Å; L548-A640 WeakPolarHBondContact CD1-O 3.34Å; L637-A640 WeakPolarHBondContact O-CB 3.43Å; L637-A640 PolarHBondContact O-N 3.25Å; A640-A642 PolarHBondContact O-N 3.32Å; A640-A643 PolarHBondContact O-N 3.18Å; A640-A644 WeakPolarHBondContact O-CB 3.11Å; A640-A644 PolarHBondContact O-N 3.26Å
641	E	95.9	Very high	95.9	Very high	121 Å²	121	57.3 Å²	57.3	57%	0.565	30%	0.295	S	S	*	.	H	α-helix	trans	-59	-45.9	173.8	-67.7	174.5	173.2	0	0	111.7	L637 S638 K639 A643 A644 Y645	L637-E641 PolarHBondContact O-N 3.31Å; S638-E641 PolarHBondContact O-N 3.47Å; K639-E641 VanDerWaalsContact C-N 3.35Å; E641-A643 VanDerWaalsContact C-N 3.34Å; E641-A643 PolarHBondContact O-N 2.92Å; E641-A644 PolarHBondContact O-N 3.42Å; E641-Y645 WeakPolarHBondContact O-CB 3.44Å; E641-Y645 PolarHBondContact O-N 2.96Å
642	A	96.7	Very high	96	Very high	47 Å²	47	51 Å²	51	39%	0.388	27%	0.266	S	S	.	.	H	α-helix	trans	-63.6	-37.8	177	0	0	0	0	0	112.7	S638 K639 A640 K646	S638-A642 WeakPolarHBondContact O-CB 3.16Å; S638-A642 PolarHBondContact O-N 3.26Å; K639-A642 PolarHBondContact O-N 2.82Å; A640-A642 PolarHBondContact O-N 3.32Å; A642-K646 WeakPolarHBondContact O-CG 3.43Å; A642-K646 PolarHBondContact O-N 3.05Å; A642-K646 VanDerWaalsContact O-N 3.13Å
643	A	96.1	Very high	96.1	Very high	6 Å²	6	52.8 Å²	52.8	5%	0.05	27%	0.274	C	S	.	.	H	α-helix	trans	-66.8	-44.4	175	0	0	0	0	0	111.7	T545 L548 E549 K639 A640 E641 K646 G647	T545-A643 HydrophobicContact CG2-CB 4.26Å; L548-A643 HydrophobicContact CB-CB 4.08Å; L548-A643 HydrophobicContact CD1-CB 4.22Å; E549-A643 HydrophobicContact CG-CB 4.39Å; K639-A643 PolarHBondContact O-N 3.44Å; A640-A643 PolarHBondContact O-N 3.18Å; E641-A643 VanDerWaalsContact C-N 3.34Å; E641-A643 PolarHBondContact O-N 2.92Å; A643-K646 PolarHBondContact O-N 3.46Å; A643-G647 PolarHBondContact O-N 2.98Å; A643-G647 VanDerWaalsContact O-N 3.08Å
644	A	97	Very high	96.1	Very high	17 Å²	17	51.9 Å²	51.9	14%	0.14	27%	0.27	C	S	.	.	H	α-helix	trans	-60.1	-48.9	176	0	0	0	0	0	111.1	L548 A640 E641 K646 G647 L648	L548-A644 HydrophobicContact CD1-CB 4.02Å; A640-A644 WeakPolarHBondContact O-CB 3.11Å; A640-A644 PolarHBondContact O-N 3.26Å; E641-A644 PolarHBondContact O-N 3.42Å; A644-K646 PolarHBondContact O-N 3.03Å; A644-G647 PolarHBondContact O-N 3.24Å; A644-L648 WeakPolarHBondContact O-CB 3.49Å; A644-L648 VanDerWaalsContact O-CG 3.31Å; A644-L648 WeakPolarHBondContact O-CG 3.32Å; A644-L648 PolarHBondContact O-N 3.35Å
645	Y	97.1	Very high	96.3	Very high	159 Å²	159	48.2 Å²	48.2	62%	0.624	24%	0.244	S	C	*	.	H	α-helix	trans	-56.8	-48.5	177.9	175.8	-102.1	0	0	0	112.4	E641 G647 L648 Q649	E641-Y645 WeakPolarHBondContact O-CB 3.44Å; E641-Y645 PolarHBondContact O-N 2.96Å; Y645-G647 VanDerWaalsContact C-N 3.35Å; Y645-G647 PolarHBondContact O-N 2.91Å; Y645-L648 PolarHBondContact O-N 3.28Å; Y645-Q649 PolarHBondContact O-N 3.06Å
646	K	97.2	Very high	96.4	Very high	122 Å²	122	44.4 Å²	44.4	53%	0.53	22%	0.22	S	C	.	.	H	α-helix	trans	-59.7	-43.9	178	-75	174.6	-177.2	176.6	0	112.2	A642 A643 A644 Q649 Q650	A642-K646 WeakPolarHBondContact O-CG 3.43Å; A642-K646 PolarHBondContact O-N 3.05Å; A642-K646 VanDerWaalsContact O-N 3.13Å; A643-K646 PolarHBondContact O-N 3.46Å; A644-K646 PolarHBondContact O-N 3.03Å; K646-Q649 PolarHBondContact O-N 3.5Å; K646-Q650 PolarHBondContact O-N 3.18Å
647	G	97.3	Very high	96.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-72.3	-34.3	179.4	0	0	0	0	0	113.2	A643 A644 Y645 Q649 Q650 C651	A643-G647 PolarHBondContact O-N 2.98Å; A643-G647 VanDerWaalsContact O-N 3.08Å; A644-G647 PolarHBondContact O-N 3.24Å; Y645-G647 VanDerWaalsContact C-N 3.35Å; Y645-G647 PolarHBondContact O-N 2.91Å; G647-Q649 VanDerWaalsContact C-N 3.28Å; G647-Q649 PolarHBondContact O-N 3.15Å; G647-Q650 CarbonylContact O-C 3.6Å; G647-Q650 PolarHBondContact O-N 2.81Å; G647-Q650 VanDerWaalsContact O-N 3.17Å; G647-C651 PolarHBondContact O-N 2.99Å; G647-C651 PolarHBondContact O-SG 3.06Å
648	L	98.1	Very high	96.6	Very high	30 Å²	30	46 Å²	46	16%	0.157	23%	0.233	C	C	.	.	H	α-helix	trans	-61.2	-38.3	171.6	-72.6	175.4	0	0	0	111.7	F593 M594 V597 A644 Y645 C651 I652 L707 F715	F593-L648 HydrophobicContact CE1-CD2 4.15Å; F593-L648 HydrophobicContact CE1-CG 4.14Å; M594-L648 HydrophobicContact CE-CD2 3.8Å; M594-L648 HydrophobicContact SD-CD2 4.12Å; V597-L648 HydrophobicContact CG2-CD2 4.4Å; A644-L648 WeakPolarHBondContact O-CB 3.49Å; A644-L648 VanDerWaalsContact O-CG 3.31Å; A644-L648 WeakPolarHBondContact O-CG 3.32Å; A644-L648 PolarHBondContact O-N 3.35Å; Y645-L648 PolarHBondContact O-N 3.28Å; L648-C651 VanDerWaalsContact O-CB 3.31Å; L648-C651 WeakPolarHBondContact O-CB 3.41Å; L648-C651 PolarHBondContact O-N 2.82Å; L648-I652 PolarHBondContact O-N 2.98Å; L648-I652 VanDerWaalsContact O-N 3.1Å; L648-L707 HydrophobicContact CD2-CD1 4.26Å; L648-L707 HydrophobicContact CD2-CD2 4.18Å; L648-F715 HydrophobicContact CB-CD2 4.23Å; L648-F715 HydrophobicContact CB-CE2 4.33Å; L648-F715 HydrophobicContact CD2-CD2 4Å; L648-F715 HydrophobicContact CD2-CE2 4Å
649	Q	97.9	Very high	96.7	Very high	40 Å²	40	43.6 Å²	43.6	19%	0.187	22%	0.216	C	C	.	.	H	α-helix	trans	-63.2	-43.5	174.4	-165.4	61.9	29.7	0	0	111.8	Y645 K646 G647 C651 I652 E653	Y645-Q649 PolarHBondContact O-N 3.06Å; K646-Q649 PolarHBondContact O-N 3.5Å; G647-Q649 VanDerWaalsContact C-N 3.28Å; G647-Q649 PolarHBondContact O-N 3.15Å; Q649-C651 VanDerWaalsContact C-N 3.32Å; Q649-C651 PolarHBondContact O-N 3.49Å; Q649-I652 PolarHBondContact O-N 2.87Å; Q649-E653 WeakPolarHBondContact O-CG 3.41Å; Q649-E653 PolarHBondContact O-N 3.45Å
650	Q	97.4	Very high	96.9	Very high	52 Å²	52	40.1 Å²	40.1	24%	0.243	20%	0.204	C	C	.	.	H	α-helix	trans	-67.3	-30.4	174.9	-72.7	-174.6	-15.4	0	0	113.1	L555 K646 G647 E653 T654	L555-Q650 HydrophobicContact CD1-CB 4.14Å; K646-Q650 PolarHBondContact O-N 3.18Å; G647-Q650 CarbonylContact O-C 3.6Å; G647-Q650 PolarHBondContact O-N 2.81Å; G647-Q650 VanDerWaalsContact O-N 3.17Å; Q650-E653 PolarHBondContact O-N 2.76Å; Q650-T654 VanDerWaalsContact O-CB 3.25Å; Q650-T654 WeakPolarHBondContact O-CB 3.31Å; Q650-T654 PolarHBondContact O-N 3.07Å; Q650-T654 PolarHBondContact O-OG1 2.9Å
651	C	97.9	Very high	96.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-46.1	170.9	-82.6	0	0	0	0	110.9	F590 F593 M594 G647 L648 Q649 T654 V655 F715	F590-C651 HydrophobicContact CD2-CB 3.58Å; F590-C651 HydrophobicContact CE2-CB 3.58Å; F593-C651 WeakPolarHBondContact CD1-SG 3.46Å; M594-C651 HydrophobicContact CE-CB 4Å; G647-C651 PolarHBondContact O-N 2.99Å; G647-C651 PolarHBondContact O-SG 3.06Å; L648-C651 VanDerWaalsContact O-CB 3.31Å; L648-C651 WeakPolarHBondContact O-CB 3.41Å; L648-C651 PolarHBondContact O-N 2.82Å; Q649-C651 VanDerWaalsContact C-N 3.32Å; Q649-C651 PolarHBondContact O-N 3.49Å; C651-T654 WeakPolarHBondContact O-CB 3.39Å; C651-T654 PolarHBondContact O-N 2.78Å; C651-V655 WeakPolarHBondContact O-CG2 3.27Å; C651-V655 PolarHBondContact O-N 3.26Å; C651-F715 HydrophobicContact CB-CE2 4.31Å; C651-F715 HydrophobicContact CB-CZ 4.46Å
652	I	98.2	Very high	96.8	Very high	4 Å²	4	37 Å²	37	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-61.5	-47.8	175.9	-65.6	175.5	0	0	0	110.4	L648 Q649 T654 V655 M656 F715 E718 L719 R722	L648-I652 PolarHBondContact O-N 2.98Å; L648-I652 VanDerWaalsContact O-N 3.1Å; Q649-I652 PolarHBondContact O-N 2.87Å; I652-T654 PolarHBondContact O-N 3.07Å; I652-V655 PolarHBondContact O-N 3.06Å; I652-M656 HydrophobicContact CG2-CG 4.16Å; I652-M656 WeakPolarHBondContact O-CB 3.25Å; I652-M656 VanDerWaalsContact O-CG 3.24Å; I652-M656 WeakPolarHBondContact O-CG 3.25Å; I652-M656 PolarHBondContact O-N 3.35Å; I652-F715 HydrophobicContact CD1-CD2 3.98Å; I652-F715 HydrophobicContact CD1-CE2 3.94Å; I652-F715 HydrophobicContact CG1-CD2 4.07Å; I652-F715 HydrophobicContact CG1-CE2 3.5Å; I652-F715 HydrophobicContact CG1-CZ 3.85Å; I652-E718 HydrophobicContact CD1-CB 3.97Å; I652-E718 HydrophobicContact CD1-CG 3.67Å; I652-L719 HydrophobicContact CB-CD1 4.48Å; I652-L719 HydrophobicContact CG1-CD1 4.34Å; I652-L719 HydrophobicContact CG2-CD1 4.03Å; I652-R722 HydrophobicContact CG2-CB 4.45Å; I652-R722 HydrophobicContact CG2-CG 4Å
653	E	97	Very high	96.8	Very high	97 Å²	97	34.8 Å²	34.8	45%	0.453	17%	0.168	S	C	.	.	H	α-helix	trans	-57.8	-37.5	175.5	-70.5	170.2	-175.2	0	0	111.8	Q649 Q650 M656 A657	Q649-E653 WeakPolarHBondContact O-CG 3.41Å; Q649-E653 PolarHBondContact O-N 3.45Å; Q650-E653 PolarHBondContact O-N 2.76Å; E653-M656 PolarHBondContact O-N 3.36Å; E653-A657 WeakPolarHBondContact O-CB 3.46Å; E653-A657 PolarHBondContact O-N 3.08Å
654	T	96.2	Very high	96.7	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.018	19%	0.188	C	C	.	.	H	α-helix	trans	-65.5	-48.1	-179.8	-66.1	0	0	0	0	111.9	L555 R562 Q650 C651 I652 E658	L555-T654 HydrophobicContact CD2-CG2 4.49Å; R562-T654 VanDerWaalsContact NH1-CA 3.32Å; R562-T654 PolarHBondContact NH1-O 2.84Å; R562-T654 VanDerWaalsContact NH1-O 3.08Å; R562-T654 PolarHBondContact NH2-OG1 2.92Å; Q650-T654 VanDerWaalsContact O-CB 3.25Å; Q650-T654 WeakPolarHBondContact O-CB 3.31Å; Q650-T654 PolarHBondContact O-N 3.07Å; Q650-T654 PolarHBondContact O-OG1 2.9Å; C651-T654 WeakPolarHBondContact O-CB 3.39Å; C651-T654 PolarHBondContact O-N 2.78Å; I652-T654 PolarHBondContact O-N 3.07Å; T654-E658 PolarHBondContact O-N 3.36Å
655	V	97.7	Very high	96.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.1	-45.8	176.4	176.5	0	0	0	0	110.9	F590 C651 I652 A657 E658 V659 Y695 L696 V699 L719	F590-V655 HydrophobicContact CD2-CG2 3.62Å; F590-V655 HydrophobicContact CE2-CG2 3.42Å; F590-V655 VanDerWaalsContact CE2-CG2 3.42Å; F590-V655 HydrophobicContact CG-CG2 4.45Å; F590-V655 HydrophobicContact CZ-CG2 4.14Å; C651-V655 WeakPolarHBondContact O-CG2 3.27Å; C651-V655 PolarHBondContact O-N 3.26Å; I652-V655 PolarHBondContact O-N 3.06Å; V655-A657 PolarHBondContact O-N 3.35Å; V655-E658 PolarHBondContact O-N 2.87Å; V655-V659 HydrophobicContact CG1-CG2 4.47Å; V655-V659 WeakPolarHBondContact O-CG2 3.37Å; V655-V659 PolarHBondContact O-N 3.03Å; V655-Y695 HydrophobicContact CG1-CE1 3.96Å; V655-L696 HydrophobicContact CG1-CD2 3.45Å; V655-L696 VanDerWaalsContact CG1-CD2 3.45Å; V655-V699 HydrophobicContact CG1-CG1 4.3Å; V655-V699 HydrophobicContact CG2-CG1 4.19Å; V655-V699 HydrophobicContact CG2-CG2 4.32Å; V655-L719 HydrophobicContact CB-CD1 4.41Å; V655-L719 HydrophobicContact CG1-CD1 4.22Å
656	M	97.7	Very high	96.2	Very high	15 Å²	15	34.6 Å²	34.6	7%	0.074	18%	0.184	C	C	.	.	H	α-helix	trans	-65.7	-38	-177.3	-67.6	-61.2	92	0	0	113.2	I652 E653 E658 V659 D660 L696 L719 R722 L723 L726	I652-M656 HydrophobicContact CG2-CG 4.16Å; I652-M656 WeakPolarHBondContact O-CB 3.25Å; I652-M656 VanDerWaalsContact O-CG 3.24Å; I652-M656 WeakPolarHBondContact O-CG 3.25Å; I652-M656 PolarHBondContact O-N 3.35Å; E653-M656 PolarHBondContact O-N 3.36Å; M656-E658 VanDerWaalsContact C-N 3.28Å; M656-E658 PolarHBondContact O-N 2.89Å; M656-V659 HydrophobicContact CE-CG2 4.11Å; M656-V659 PolarHBondContact O-N 2.85Å; M656-D660 PolarHBondContact O-N 3.3Å; M656-L696 HydrophobicContact CE-CD2 4.49Å; M656-L719 HydrophobicContact CE-CD1 3.5Å; M656-L719 HydrophobicContact CE-CG 4.35Å; M656-L719 HydrophobicContact SD-CD1 4.41Å; M656-R722 HydrophobicContact CG-CB 3.83Å; M656-R722 HydrophobicContact SD-CB 3.66Å; M656-L723 HydrophobicContact CE-CB 4.49Å; M656-L723 HydrophobicContact SD-CB 4.3Å; M656-L726 HydrophobicContact CB-CD1 4.19Å; M656-L726 WeakPolarHBondContact O-CD1 3.43Å; M656-L726 HydrophobicContact SD-CD1 4.42Å
657	A	95.1	Very high	96.1	Very high	47 Å²	47	29.6 Å²	29.6	39%	0.388	16%	0.162	S	C	.	.	H	α-helix	trans	-64.1	-34.5	175.4	0	0	0	0	0	112.3	E653 V655 R661	E653-A657 WeakPolarHBondContact O-CB 3.46Å; E653-A657 PolarHBondContact O-N 3.08Å; V655-A657 PolarHBondContact O-N 3.35Å; A657-R661 WeakPolarHBondContact O-CB 3.09Å; A657-R661 PolarHBondContact O-N 3.36Å; A657-R661 VanDerWaalsContact O-N 3.08Å
658	E	95.6	Very high	95.9	Very high	11 Å²	11	36.2 Å²	36.2	5%	0.051	19%	0.191	C	C	.	.	H	α-helix	trans	-72.6	-38.2	174.9	179.1	55.8	-167.1	0	0	112	A583 T654 V655 M656 R661 L662 Y695	A583-E658 WeakPolarHBondContact CB-OE1 3.44Å; A583-E658 VanDerWaalsContact CB-OE2 3.29Å; A583-E658 WeakPolarHBondContact CB-OE2 3.33Å; T654-E658 PolarHBondContact O-N 3.36Å; V655-E658 PolarHBondContact O-N 2.87Å; M656-E658 VanDerWaalsContact C-N 3.28Å; M656-E658 PolarHBondContact O-N 2.89Å; E658-R661 PolarHBondContact O-N 3.44Å; E658-R661 IonicContact OE1-CZ 3.74Å; E658-R661 IonicContact OE1-NE 2.86Å; E658-R661 PolarHBondContact OE1-NE 3.38Å; E658-R661 IonicContact OE1-NH2 3.32Å; E658-R661 PolarHBondContact OE1-NH2 2.79Å; E658-R661 IonicContact OE2-CZ 2.86Å; E658-R661 IonicContact OE2-NE 3.82Å; E658-R661 PolarHBondContact OE2-NE 3.26Å; E658-R661 IonicContact OE2-NH2 3.4Å; E658-L662 HydrophobicContact CG-CD1 4.32Å; E658-L662 WeakPolarHBondContact O-CG 3.44Å; E658-L662 PolarHBondContact O-N 3.26Å; E658-Y695 HydrophobicContact CB-CE1 3.79Å; E658-Y695 HydrophobicContact CB-CE2 4.44Å; E658-Y695 HydrophobicContact CG-CD1 4.05Å; E658-Y695 HydrophobicContact CG-CD2 4.11Å; E658-Y695 HydrophobicContact CG-CE1 3.58Å; E658-Y695 HydrophobicContact CG-CE2 3.67Å; E658-Y695 HydrophobicContact CG-CG 4.3Å
659	V	97.8	Very high	95.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-45.7	172.4	177	0	0	0	0	111.1	V655 M656 R661 L662 L663 V692 Y695 L696 L723 L726	V655-V659 HydrophobicContact CG1-CG2 4.47Å; V655-V659 WeakPolarHBondContact O-CG2 3.37Å; V655-V659 PolarHBondContact O-N 3.03Å; M656-V659 HydrophobicContact CE-CG2 4.11Å; M656-V659 PolarHBondContact O-N 2.85Å; V659-R661 VanDerWaalsContact C-N 3.31Å; V659-R661 PolarHBondContact O-N 2.92Å; V659-L662 PolarHBondContact O-N 2.94Å; V659-L663 HydrophobicContact CG1-CD1 4.02Å; V659-L663 HydrophobicContact CG1-CG 4.3Å; V659-L663 WeakPolarHBondContact O-CB 3.42Å; V659-L663 VanDerWaalsContact O-CG 3.31Å; V659-L663 WeakPolarHBondContact O-CG 3.49Å; V659-L663 PolarHBondContact O-N 2.83Å; V659-V692 HydrophobicContact CG1-CG1 3.71Å; V659-V692 HydrophobicContact CG1-CG2 4.12Å; V659-V692 HydrophobicContact CG2-CG1 4.19Å; V659-Y695 HydrophobicContact CG2-CD1 4.16Å; V659-Y695 HydrophobicContact CG2-CE1 4.22Å; V659-L696 HydrophobicContact CG2-CD1 4.45Å; V659-L696 HydrophobicContact CG2-CD2 3.77Å; V659-L696 HydrophobicContact CG2-CG 4.15Å; V659-L723 HydrophobicContact CG1-CD1 3.96Å; V659-L726 HydrophobicContact CB-CD2 4.37Å; V659-L726 HydrophobicContact CG1-CD2 3.61Å
660	D	96.2	Very high	95	Very high	67 Å²	67	41.7 Å²	41.7	36%	0.358	23%	0.233	S	C	.	.	H	α-helix	trans	-62	-38.9	177.4	-171.1	44.8	0	0	0	112.1	M656 S664 L726	M656-D660 PolarHBondContact O-N 3.3Å; D660-S664 VanDerWaalsContact O-CB 3.22Å; D660-S664 WeakPolarHBondContact O-CB 3.37Å; D660-S664 PolarHBondContact O-N 3.29Å; D660-S664 PolarHBondContact O-OG 2.92Å; D660-L726 HydrophobicContact CB-CD1 3.97Å
661	R	93	Very high	94.7	Very high	56 Å²	56	40.2 Å²	40.2	21%	0.211	23%	0.227	C	C	.	.	H	α-helix	trans	-61.3	-52.4	174.6	-172.3	-166.3	72.2	93.8	-8.6	111	E580 A657 E658 V659 L663 S664 S665	E580-R661 IonicContact OE1-CZ 2.71Å; E580-R661 VanDerWaalsContact OE1-CZ 3.32Å; E580-R661 IonicContact OE1-NH1 3.61Å; E580-R661 PolarHBondContact OE1-NH1 3.28Å; E580-R661 IonicContact OE1-NH2 2.86Å; E580-R661 PolarHBondContact OE1-NH2 2.7Å; E580-R661 IonicContact OE2-NH2 2.71Å; A657-R661 WeakPolarHBondContact O-CB 3.09Å; A657-R661 PolarHBondContact O-N 3.36Å; A657-R661 VanDerWaalsContact O-N 3.08Å; E658-R661 PolarHBondContact O-N 3.44Å; E658-R661 IonicContact OE1-CZ 3.74Å; E658-R661 IonicContact OE1-NE 2.86Å; E658-R661 PolarHBondContact OE1-NE 3.38Å; E658-R661 IonicContact OE1-NH2 3.32Å; E658-R661 PolarHBondContact OE1-NH2 2.79Å; E658-R661 IonicContact OE2-CZ 2.86Å; E658-R661 IonicContact OE2-NE 3.82Å; E658-R661 PolarHBondContact OE2-NE 3.26Å; E658-R661 IonicContact OE2-NH2 3.4Å; V659-R661 VanDerWaalsContact C-N 3.31Å; V659-R661 PolarHBondContact O-N 2.92Å; R661-L663 PolarHBondContact O-N 3.4Å; R661-S664 CarbonylContact O-C 3.58Å; R661-S664 PolarHBondContact O-N 2.96Å; R661-S664 VanDerWaalsContact O-N 3.14Å; R661-S665 WeakPolarHBondContact O-CB 3.32Å; R661-S665 PolarHBondContact O-N 3.37Å; R661-S665 PolarHBondContact O-OG 3.12Å
662	L	95.4	Very high	94.4	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-46	-179.6	-74	173	0	0	0	111.4	E658 V659 S664 S665 E666 V692 Y695	E658-L662 HydrophobicContact CG-CD1 4.32Å; E658-L662 WeakPolarHBondContact O-CG 3.44Å; E658-L662 PolarHBondContact O-N 3.26Å; V659-L662 PolarHBondContact O-N 2.94Å; L662-S664 VanDerWaalsContact C-N 3.33Å; L662-S664 PolarHBondContact O-N 3.4Å; L662-S665 PolarHBondContact O-N 2.99Å; L662-S665 PolarHBondContact O-OG 3.28Å; L662-E666 WeakPolarHBondContact O-CB 3.39Å; L662-E666 WeakPolarHBondContact O-CG 3.43Å; L662-E666 PolarHBondContact O-N 2.98Å; L662-V692 HydrophobicContact CB-CG2 3.91Å; L662-V692 HydrophobicContact CD1-CG2 4.38Å; L662-Y695 HydrophobicContact CD1-CD1 4.22Å; L662-Y695 HydrophobicContact CD1-CG 4.03Å
663	L	97.1	Very high	93.9	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-45.5	175	-72.8	177.4	0	0	0	111.2	V659 R661 S665 Q667 A688 V692 L726 L727 H730	V659-L663 HydrophobicContact CG1-CD1 4.02Å; V659-L663 HydrophobicContact CG1-CG 4.3Å; V659-L663 WeakPolarHBondContact O-CB 3.42Å; V659-L663 VanDerWaalsContact O-CG 3.31Å; V659-L663 WeakPolarHBondContact O-CG 3.49Å; V659-L663 PolarHBondContact O-N 2.83Å; R661-L663 PolarHBondContact O-N 3.4Å; L663-S665 PolarHBondContact O-N 3.26Å; L663-Q667 WeakPolarHBondContact O-CB 3.47Å; L663-Q667 PolarHBondContact O-N 3.21Å; L663-A688 HydrophobicContact CD2-CB 4.32Å; L663-V692 HydrophobicContact CD2-CG2 3.9Å; L663-V692 HydrophobicContact CG-CG2 3.98Å; L663-L726 HydrophobicContact CD1-CD2 3.37Å; L663-L727 HydrophobicContact CD1-CD2 3.93Å; L663-L727 HydrophobicContact CD2-CD2 4.39Å; L663-H730 VanDerWaalsContact C-CE1 3.47Å; L663-H730 HydrophobicContact CD1-CB 3.99Å; L663-H730 PolarHBondContact O-CE1 3.24Å; L663-H730 VanDerWaalsContact O-CE1 3.24Å
664	S	93.2	Very high	92.6	Very high	66 Å²	66	44.1 Å²	44.1	46%	0.462	25%	0.246	S	C	.	.	H	α-helix	trans	-69.8	-29.4	-179	-62.1	0	0	0	0	113.7	D660 R661 L662	D660-S664 VanDerWaalsContact O-CB 3.22Å; D660-S664 WeakPolarHBondContact O-CB 3.37Å; D660-S664 PolarHBondContact O-N 3.29Å; D660-S664 PolarHBondContact O-OG 2.92Å; R661-S664 CarbonylContact O-C 3.58Å; R661-S664 PolarHBondContact O-N 2.96Å; R661-S664 VanDerWaalsContact O-N 3.14Å; L662-S664 VanDerWaalsContact C-N 3.33Å; L662-S664 PolarHBondContact O-N 3.4Å
665	S	91.1	Very high	91	Very high	69 Å²	69	48.6 Å²	48.6	48%	0.483	27%	0.273	S	S	.	.	H	α-helix	trans	-92.2	-32.8	-178.5	61.7	0	0	0	0	114.2	R661 L662 L663	R661-S665 WeakPolarHBondContact O-CB 3.32Å; R661-S665 PolarHBondContact O-N 3.37Å; R661-S665 PolarHBondContact O-OG 3.12Å; L662-S665 PolarHBondContact O-N 2.99Å; L662-S665 PolarHBondContact O-OG 3.28Å; L663-S665 PolarHBondContact O-N 3.26Å
666	E	93.6	Very high	88.9	Confident	44 Å²	44	56 Å²	56	21%	0.206	31%	0.313	C	S	.	.	H	α-helix	trans	-100.6	-19.9	-171.6	-60.7	-70.9	171.8	0	0	113.2	L662 N687 A688 R691	L662-E666 WeakPolarHBondContact O-CB 3.39Å; L662-E666 WeakPolarHBondContact O-CG 3.43Å; L662-E666 PolarHBondContact O-N 2.98Å; E666-N687 PolarHBondContact OE2-ND2 2.98Å; E666-A688 HydrophobicContact CB-CB 3.91Å; E666-R691 VanDerWaalsContact CD-NH1 3.32Å; E666-R691 HydrophobicContact CG-CG 4.48Å; E666-R691 IonicContact OE1-CZ 2.72Å; E666-R691 IonicContact OE1-NH1 2.78Å; E666-R691 PolarHBondContact OE1-NH1 2.91Å; E666-R691 IonicContact OE1-NH2 3.7Å; E666-R691 IonicContact OE2-NH1 3.31Å
667	Q	95.1	Very high	86.6	Confident	16 Å²	16	61.1 Å²	61.1	8%	0.075	34%	0.341	C	S	.	.			trans	-86.8	115.9	-179.6	-165.5	80.6	76.1	0	0	111	L663 D671 Y672 T686 A688 F734	L663-Q667 WeakPolarHBondContact O-CB 3.47Å; L663-Q667 PolarHBondContact O-N 3.21Å; Q667-D671 VanDerWaalsContact NE2-CB 3.32Å; Q667-D671 PolarHBondContact NE2-OD2 3.44Å; Q667-Y672 VanDerWaalsContact CD-OH 3.31Å; Q667-Y672 HydrophobicContact CG-CE2 3.95Å; Q667-Y672 PolarHBondContact OE1-OH 3.34Å; Q667-T686 VanDerWaalsContact NE2-CB 3.32Å; Q667-T686 VanDerWaalsContact NE2-CG2 3.3Å; Q667-T686 PolarHBondContact NE2-OG1 2.9Å; Q667-T686 PolarHBondContact OE1-OG1 2.72Å; Q667-A688 HydrophobicContact CB-CB 3.8Å; Q667-A688 HydrophobicContact CG-CB 4.43Å; Q667-F734 HydrophobicContact CB-CZ 3.97Å; Q667-F734 HydrophobicContact CG-CE1 3.72Å; Q667-F734 HydrophobicContact CG-CE2 4.12Å; Q667-F734 HydrophobicContact CG-CZ 3.35Å
668	K	92.7	Very high	84.5	Confident	139 Å²	139	62.4 Å²	62.4	60%	0.604	36%	0.358	S	S	*	.			trans	-81.6	145.9	177.8	-56.5	173.6	-177.2	172.1	0	110.1	T670 D671 F734	K668-T670 PolarHBondContact O-N 3.42Å; K668-D671 PolarHBondContact N-OD2 3.44Å; K668-D671 WeakPolarHBondContact O-CB 3.3Å; K668-D671 PolarHBondContact O-N 3.3Å; K668-F734 WeakPolarHBondContact O-CE1 3.27Å
669	S	89	Confident	82.4	Confident	98 Å²	98	68.8 Å²	68.8	69%	0.685	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-22	175.6	56.4	0	0	0	0	113.8
670	T	89.1	Confident	80.3	Confident	87 Å²	87	73.1 Å²	73.1	53%	0.534	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-10.2	179.3	54.2	0	0	0	0	114.2	K668 Y672 R673	K668-T670 PolarHBondContact O-N 3.42Å; T670-Y672 PolarHBondContact O-N 3.18Å; T670-Y672 VanDerWaalsContact O-N 3.14Å; T670-R673 CarbonylContact O-C 3.35Å; T670-R673 PolarHBondContact O-N 3.19Å
671	D	89.9	Confident	78.6	Confident	21 Å²	21	73.1 Å²	73.1	11%	0.112	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-31.4	-172.3	-75.3	-21.6	0	0	0	112.3	Q667 K668 T686 R743	Q667-D671 VanDerWaalsContact NE2-CB 3.32Å; Q667-D671 PolarHBondContact NE2-OD2 3.44Å; K668-D671 PolarHBondContact N-OD2 3.44Å; K668-D671 WeakPolarHBondContact O-CB 3.3Å; K668-D671 PolarHBondContact O-N 3.3Å; D671-T686 HydrophobicContact CB-CG2 4.03Å; D671-R743 WeakPolarHBondContact O-CD 3.21Å
672	Y	92.7	Very high	77.3	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	12.7	177.8	-52.3	-63.2	0	0	0	114	Q667 T670 T686 W731 F734 F736 N737 G740 L744 D747	Q667-Y672 VanDerWaalsContact CD-OH 3.31Å; Q667-Y672 HydrophobicContact CG-CE2 3.95Å; Q667-Y672 PolarHBondContact OE1-OH 3.34Å; T670-Y672 PolarHBondContact O-N 3.18Å; T670-Y672 VanDerWaalsContact O-N 3.14Å; Y672-T686 HydrophobicContact CE1-CG2 4.07Å; Y672-W731 PolarHBondContact OH-NE1 3.15Å; Y672-F734 HydrophobicContact CD2-CB 3.99Å; Y672-F734 AromaticContact CD2-CD1 3.79Å; Y672-F734 HydrophobicContact CD2-CD1 3.79Å; Y672-F734 HydrophobicContact CD2-CD2 4.32Å; Y672-F734 HydrophobicContact CD2-CE1 4.38Å; Y672-F734 AromaticContact CD2-CG 3.76Å; Y672-F734 HydrophobicContact CD2-CG 3.76Å; Y672-F734 HydrophobicContact CE2-CD1 4.26Å; Y672-F734 HydrophobicContact CE2-CD2 4.29Å; Y672-F734 HydrophobicContact CE2-CE1 4.47Å; Y672-F734 HydrophobicContact CE2-CG 4.17Å; Y672-F736 VanDerWaalsContact CB-CD1 3.46Å; Y672-F736 HydrophobicContact CD1-CD1 4.2Å; Y672-F736 AromaticContact CD1-CE1 3.71Å; Y672-F736 HydrophobicContact CD1-CE1 3.71Å; Y672-F736 AromaticContact CD2-CE1 3.7Å; Y672-F736 HydrophobicContact CD2-CE1 3.7Å; Y672-F736 AromaticContact CD2-CZ 3.98Å; Y672-F736 HydrophobicContact CD2-CZ 3.98Å; Y672-F736 HydrophobicContact CE1-CE1 4.32Å; Y672-F736 HydrophobicContact CE2-CE1 4.33Å; Y672-F736 HydrophobicContact CE2-CZ 4.5Å; Y672-F736 AromaticContact CG-CD1 3.83Å; Y672-F736 HydrophobicContact CG-CD1 3.83Å; Y672-F736 AromaticContact CG-CE1 3.35Å; Y672-F736 HydrophobicContact CG-CE1 3.35Å; Y672-F736 HydrophobicContact CG-CZ 4.1Å; Y672-F736 WeakPolarHBondContact O-CA 3.41Å; Y672-N737 PolarHBondContact O-N 3.31Å; Y672-G740 WeakPolarHBondContact O-CA 3.44Å; Y672-L744 HydrophobicContact CD1-CB 4.15Å; Y672-L744 HydrophobicContact CE1-CB 3.98Å; Y672-L744 HydrophobicContact CE1-CD1 4.32Å; Y672-D747 PolarHBondContact OH-OD2 3.19Å
673	R	86	Confident	76.4	Confident	126 Å²	126	80.6 Å²	80.6	48%	0.475	47%	0.471	S	S	.	.			trans	-140.1	71.3	177.1	-166.6	-178.5	-174.3	-174.7	0.2	109.6	T670 T675 E806	T670-R673 CarbonylContact O-C 3.35Å; T670-R673 PolarHBondContact O-N 3.19Å; R673-T675 PolarHBondContact O-N 3.25Å; R673-E806 IonicContact CZ-OE1 3.17Å; R673-E806 IonicContact NE-OE1 2.85Å; R673-E806 PolarHBondContact NE-OE1 2.81Å; R673-E806 IonicContact NH2-OE1 2.68Å; R673-E806 PolarHBondContact NH2-OE1 3.21Å
674	S	69.6	Low	75.9	Confident	57 Å²	57	89.4 Å²	89.4	40%	0.399	51%	0.505	S	S	.	.			trans	-74.6	126.6	178.3	-148.9	0	0	0	0	109.5	N737	S674-N737 PolarHBondContact O-ND2 3.39Å
675	T	63.2	Low	75.9	Confident	98 Å²	98	87.4 Å²	87.4	60%	0.601	49%	0.49	S	S	*	.			trans	-71.4	127.4	169	44.9	0	0	0	0	107.8	R673 D677	R673-T675 PolarHBondContact O-N 3.25Å; T675-D677 WeakPolarHBondContact CB-OD2 3.24Å; T675-D677 PolarHBondContact O-N 2.97Å; T675-D677 PolarHBondContact OG1-OD2 3.3Å
676	D	54.6	Low	76.1	Confident	156 Å²	156	84.1 Å²	84.1	83%	0.834	47%	0.467	S	S	*	.			trans	-71.6	64.3	179.9	-163.2	21.9	0	0	0	109.9	G678	D676-G678 PolarHBondContact O-N 3.36Å
677	D	47.7	Very low	76.2	Confident	122 Å²	122	85.8 Å²	85.8	65%	0.652	48%	0.477	S	S	*	.			trans	-83.3	22.8	-177.7	-71.1	-41.2	0	0	0	112.1	T675 I679	T675-D677 WeakPolarHBondContact CB-OD2 3.24Å; T675-D677 PolarHBondContact O-N 2.97Å; T675-D677 PolarHBondContact OG1-OD2 3.3Å; D677-I679 PolarHBondContact O-N 3.24Å; D677-I679 VanDerWaalsContact O-N 3.08Å
678	G	52.9	Low	76.2	Confident	73 Å²	73	85 Å²	85	75%	0.753	47%	0.474	S	S	*	.	S	Bend	trans	68.8	3.3	179.2	0	0	0	0	0	115.1	D676	D676-G678 PolarHBondContact O-N 3.36Å
679	I	49.7	Very low	76.4	Confident	146 Å²	146	78.4 Å²	78.4	75%	0.749	45%	0.445	S	S	*	.	S	Bend	trans	-84.6	125.6	171.4	-57.3	173.5	0	0	0	107.3	D677 S681	D677-I679 PolarHBondContact O-N 3.24Å; D677-I679 VanDerWaalsContact O-N 3.08Å; I679-S681 PolarHBondContact O-N 2.89Å
680	A	55.1	Low	76.8	Confident	91 Å²	91	77.8 Å²	77.8	75%	0.752	43%	0.433	S	S	*	.			trans	-41.1	126.6	-178.8	0	0	0	0	0	111.8	D682	A680-D682 PolarHBondContact O-N 3.45Å; A680-D682 VanDerWaalsContact O-N 3.11Å
681	S	59.4	Low	77.2	Confident	66 Å²	66	78 Å²	78	46%	0.462	42%	0.424	S	S	.	.			trans	-49.4	117	179.1	47.3	0	0	0	0	110.7	I679 H683	I679-S681 PolarHBondContact O-N 2.89Å; S681-H683 PolarHBondContact O-CD2 2.89Å; S681-H683 VanDerWaalsContact O-CD2 3.29Å; S681-H683 PolarHBondContact O-N 2.99Å; S681-H683 PolarHBondContact O-NE2 3.44Å; S681-H683 PolarHBondContact OG-CE1 3.47Å; S681-H683 PolarHBondContact OG-NE2 3.2Å
682	D	66.6	Low	77.6	Confident	81 Å²	81	77 Å²	77	43%	0.433	42%	0.419	S	S	.	.			trans	-64	106.6	177.4	-178.2	10.6	0	0	0	109.6	A680 R684 R743	A680-D682 PolarHBondContact O-N 3.45Å; A680-D682 VanDerWaalsContact O-N 3.11Å; D682-R684 PolarHBondContact O-N 2.97Å; D682-R684 WeakPolarHBondContact OD1-CB 3.43Å; D682-R684 WeakPolarHBondContact OD1-CG 3.33Å; D682-R684 PolarHBondContact OD1-N 2.95Å; D682-R684 VanDerWaalsContact OD1-N 3.16Å; D682-R743 IonicContact OD2-CZ 3.49Å; D682-R743 IonicContact OD2-NH1 3.44Å; D682-R743 PolarHBondContact OD2-NH1 2.97Å; D682-R743 IonicContact OD2-NH2 3.61Å; D682-R743 PolarHBondContact OD2-NH2 3.47Å
683	H	75.7	Confident	77.8	Confident	136 Å²	136	78 Å²	78	63%	0.63	43%	0.426	S	S	*	.			trans	-82.8	1.4	-177.2	-66.1	-55.5	0	0	0	113.6	S681	S681-H683 PolarHBondContact O-CD2 2.89Å; S681-H683 VanDerWaalsContact O-CD2 3.29Å; S681-H683 PolarHBondContact O-N 2.99Å; S681-H683 PolarHBondContact O-NE2 3.44Å; S681-H683 PolarHBondContact OG-CE1 3.47Å; S681-H683 PolarHBondContact OG-NE2 3.2Å
684	R	87.9	Confident	78.4	Confident	185 Å²	185	74.7 Å²	74.7	70%	0.698	43%	0.425	S	S	*	.	S	Bend	trans	-80.6	148.7	-178.7	-63.2	177.9	177.6	177.4	0.3	111.2	D682 R743	D682-R684 PolarHBondContact O-N 2.97Å; D682-R684 WeakPolarHBondContact OD1-CB 3.43Å; D682-R684 WeakPolarHBondContact OD1-CG 3.33Å; D682-R684 PolarHBondContact OD1-N 2.95Å; D682-R684 VanDerWaalsContact OD1-N 3.16Å; R684-R743 PolarHBondContact O-NH2 3.22Å
685	P	92.8	Very high	79.6	Confident	24 Å²	24	72.4 Å²	72.4	16%	0.156	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-53.2	154.3	167.1	-21.8	32.2	0	0	0	111.2	C689 I690 D747 E750	P685-C689 HydrophobicContact CB-CB 4.35Å; P685-I690 HydrophobicContact CB-CD1 4.45Å; P685-I690 HydrophobicContact CB-CG1 4.07Å; P685-D747 WeakPolarHBondContact CA-OD1 3.34Å; P685-D747 WeakPolarHBondContact CB-OD1 3.34Å; P685-E750 HydrophobicContact CB-CG 4Å; P685-E750 HydrophobicContact CG-CG 3.57Å
686	T	95	Very high	81.3	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-65.3	153.4	176.1	66	0	0	0	0	110.6	Q667 D671 Y672 A688 C689 I690 R743 D747	Q667-T686 VanDerWaalsContact NE2-CB 3.32Å; Q667-T686 VanDerWaalsContact NE2-CG2 3.3Å; Q667-T686 PolarHBondContact NE2-OG1 2.9Å; Q667-T686 PolarHBondContact OE1-OG1 2.72Å; D671-T686 HydrophobicContact CB-CG2 4.03Å; Y672-T686 HydrophobicContact CE1-CG2 4.07Å; T686-A688 PolarHBondContact O-N 2.96Å; T686-C689 WeakPolarHBondContact O-CB 3.48Å; T686-C689 PolarHBondContact O-N 3.43Å; T686-C689 VanDerWaalsContact O-N 3.13Å; T686-C689 WeakPolarHBondContact OG1-CB 3.37Å; T686-C689 PolarHBondContact OG1-N 3.46Å; T686-I690 WeakPolarHBondContact O-CG1 3.38Å; T686-I690 PolarHBondContact O-N 3.16Å; T686-I690 VanDerWaalsContact O-N 3.08Å; T686-R743 HydrophobicContact CG2-CG 4.07Å; T686-D747 WeakPolarHBondContact CB-OD2 3.49Å; T686-D747 WeakPolarHBondContact CG2-OD2 3.48Å; T686-D747 PolarHBondContact N-OD1 3.07Å; T686-D747 PolarHBondContact OG1-OD2 3.35Å
687	N	94.6	Very high	83.3	Confident	79 Å²	79	62.8 Å²	62.8	42%	0.422	36%	0.356	S	S	.	.	H	α-helix	trans	-59.5	-36.6	177.9	-167.5	45.2	0	0	0	111.3	E666 I690 R691	E666-N687 PolarHBondContact OE2-ND2 2.98Å; N687-I690 PolarHBondContact O-N 3.21Å; N687-R691 WeakPolarHBondContact O-CB 3.43Å; N687-R691 WeakPolarHBondContact O-CG 3.4Å; N687-R691 PolarHBondContact O-N 3.19Å
688	A	96.3	Very high	85.5	Confident	0 Å²	0	63 Å²	63	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-58.1	-48.8	174.5	0	0	0	0	0	111.9	L663 E666 Q667 T686 I690 R691 V692	L663-A688 HydrophobicContact CD2-CB 4.32Å; E666-A688 HydrophobicContact CB-CB 3.91Å; Q667-A688 HydrophobicContact CB-CB 3.8Å; Q667-A688 HydrophobicContact CG-CB 4.43Å; T686-A688 PolarHBondContact O-N 2.96Å; A688-I690 PolarHBondContact O-N 2.84Å; A688-R691 PolarHBondContact O-N 3.41Å; A688-V692 WeakPolarHBondContact O-CB 3.44Å; A688-V692 VanDerWaalsContact O-CG2 3.28Å; A688-V692 WeakPolarHBondContact O-CG2 3.4Å; A688-V692 PolarHBondContact O-N 2.99Å
689	C	97.6	Very high	87.5	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-58	-50.7	176.6	-178.3	0	0	0	0	112.1	P685 T686 R691 V692 V693 D747 Y751	P685-C689 HydrophobicContact CB-CB 4.35Å; T686-C689 WeakPolarHBondContact O-CB 3.48Å; T686-C689 PolarHBondContact O-N 3.43Å; T686-C689 VanDerWaalsContact O-N 3.13Å; T686-C689 WeakPolarHBondContact OG1-CB 3.37Å; T686-C689 PolarHBondContact OG1-N 3.46Å; C689-R691 VanDerWaalsContact C-N 3.3Å; C689-R691 PolarHBondContact O-N 3.12Å; C689-V692 PolarHBondContact O-N 3.41Å; C689-V693 WeakPolarHBondContact O-CG2 3.48Å; C689-V693 PolarHBondContact O-N 3.29Å; C689-D747 HydrophobicContact CB-CB 3.87Å; C689-D747 VanDerWaalsContact CB-CG 3.45Å; C689-Y751 WeakPolarHBondContact CA-OH 3.25Å; C689-Y751 HydrophobicContact CB-CE2 4.36Å
690	I	97.2	Very high	89.7	Confident	86 Å²	86	52.6 Å²	52.6	44%	0.441	28%	0.277	S	S	.	.	H	α-helix	trans	-57.2	-45.9	179.8	-64.3	169.3	0	0	0	110.6	P685 T686 N687 A688 A694	P685-I690 HydrophobicContact CB-CD1 4.45Å; P685-I690 HydrophobicContact CB-CG1 4.07Å; T686-I690 WeakPolarHBondContact O-CG1 3.38Å; T686-I690 PolarHBondContact O-N 3.16Å; T686-I690 VanDerWaalsContact O-N 3.08Å; N687-I690 PolarHBondContact O-N 3.21Å; A688-I690 PolarHBondContact O-N 2.84Å; I690-A694 WeakPolarHBondContact O-CB 3.4Å; I690-A694 PolarHBondContact O-N 2.78Å
691	R	96.9	Very high	91.6	Very high	90 Å²	90	53.9 Å²	53.9	34%	0.34	27%	0.267	S	S	.	.	H	α-helix	trans	-68.2	-39.4	-178.5	-67.7	-71.3	-67.7	-71.6	-4.6	112.2	E666 N687 A688 C689 Y695	E666-R691 VanDerWaalsContact CD-NH1 3.32Å; E666-R691 HydrophobicContact CG-CG 4.48Å; E666-R691 IonicContact OE1-CZ 2.72Å; E666-R691 IonicContact OE1-NH1 2.78Å; E666-R691 PolarHBondContact OE1-NH1 2.91Å; E666-R691 IonicContact OE1-NH2 3.7Å; E666-R691 IonicContact OE2-NH1 3.31Å; N687-R691 WeakPolarHBondContact O-CB 3.43Å; N687-R691 WeakPolarHBondContact O-CG 3.4Å; N687-R691 PolarHBondContact O-N 3.19Å; A688-R691 PolarHBondContact O-N 3.41Å; C689-R691 VanDerWaalsContact C-N 3.3Å; C689-R691 PolarHBondContact O-N 3.12Å; R691-Y695 WeakPolarHBondContact O-CB 3.45Å; R691-Y695 PolarHBondContact O-N 2.92Å
692	V	98.2	Very high	93.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.1	-49.3	175.9	170.4	0	0	0	0	111	V659 L662 L663 A688 C689 A694 Y695 L696 Y751	V659-V692 HydrophobicContact CG1-CG1 3.71Å; V659-V692 HydrophobicContact CG1-CG2 4.12Å; V659-V692 HydrophobicContact CG2-CG1 4.19Å; L662-V692 HydrophobicContact CB-CG2 3.91Å; L662-V692 HydrophobicContact CD1-CG2 4.38Å; L663-V692 HydrophobicContact CD2-CG2 3.9Å; L663-V692 HydrophobicContact CG-CG2 3.98Å; A688-V692 WeakPolarHBondContact O-CB 3.44Å; A688-V692 VanDerWaalsContact O-CG2 3.28Å; A688-V692 WeakPolarHBondContact O-CG2 3.4Å; A688-V692 PolarHBondContact O-N 2.99Å; C689-V692 PolarHBondContact O-N 3.41Å; V692-A694 VanDerWaalsContact C-N 3.33Å; V692-A694 PolarHBondContact O-N 2.87Å; V692-Y695 PolarHBondContact O-N 3.06Å; V692-L696 HydrophobicContact CG1-CD1 3.8Å; V692-L696 HydrophobicContact CG1-CG 4.23Å; V692-L696 WeakPolarHBondContact O-CB 3.08Å; V692-L696 WeakPolarHBondContact O-CG 3.26Å; V692-L696 PolarHBondContact O-N 3.32Å; V692-Y751 HydrophobicContact CB-CE1 4.12Å; V692-Y751 HydrophobicContact CG1-CE1 3.69Å
693	V	97.9	Very high	94.5	Very high	23 Å²	23	47.8 Å²	47.8	14%	0.139	23%	0.231	C	C	.	.	H	α-helix	trans	-62.8	-41.9	179.8	173.5	0	0	0	0	110.8	C689 Y695 L696 S697 E750 Y751 F754	C689-V693 WeakPolarHBondContact O-CG2 3.48Å; C689-V693 PolarHBondContact O-N 3.29Å; V693-Y695 PolarHBondContact O-N 3.37Å; V693-L696 PolarHBondContact O-N 3.09Å; V693-S697 WeakPolarHBondContact O-CB 3.49Å; V693-S697 PolarHBondContact O-N 3.29Å; V693-S697 PolarHBondContact O-OG 3.39Å; V693-E750 HydrophobicContact CG2-CB 4.27Å; V693-Y751 HydrophobicContact CG2-CD1 3.86Å; V693-Y751 HydrophobicContact CG2-CE1 3.97Å; V693-F754 HydrophobicContact CG1-CB 4.23Å; V693-F754 HydrophobicContact CG1-CD2 4.37Å; V693-F754 HydrophobicContact CG1-CG 4.43Å
694	A	96.9	Very high	95.4	Very high	55 Å²	55	43.3 Å²	43.3	46%	0.455	21%	0.209	S	C	.	.	H	α-helix	trans	-62.7	-40.2	175.4	0	0	0	0	0	112.5	I690 V692 R698	I690-A694 WeakPolarHBondContact O-CB 3.4Å; I690-A694 PolarHBondContact O-N 2.78Å; V692-A694 VanDerWaalsContact C-N 3.33Å; V692-A694 PolarHBondContact O-N 2.87Å; A694-R698 VanDerWaalsContact O-CB 3.27Å; A694-R698 WeakPolarHBondContact O-CB 3.26Å; A694-R698 PolarHBondContact O-N 3.08Å
695	Y	96.3	Very high	95.6	Very high	9 Å²	9	38.2 Å²	38.2	4%	0.035	20%	0.199	C	C	.	.	H	α-helix	trans	-64.7	-52.1	174.9	168.9	-108.2	0	0	0	111.7	V655 E658 V659 L662 R691 V692 V693 S697 R698 V699	V655-Y695 HydrophobicContact CG1-CE1 3.96Å; E658-Y695 HydrophobicContact CB-CE1 3.79Å; E658-Y695 HydrophobicContact CB-CE2 4.44Å; E658-Y695 HydrophobicContact CG-CD1 4.05Å; E658-Y695 HydrophobicContact CG-CD2 4.11Å; E658-Y695 HydrophobicContact CG-CE1 3.58Å; E658-Y695 HydrophobicContact CG-CE2 3.67Å; E658-Y695 HydrophobicContact CG-CG 4.3Å; V659-Y695 HydrophobicContact CG2-CD1 4.16Å; V659-Y695 HydrophobicContact CG2-CE1 4.22Å; L662-Y695 HydrophobicContact CD1-CD1 4.22Å; L662-Y695 HydrophobicContact CD1-CG 4.03Å; R691-Y695 WeakPolarHBondContact O-CB 3.45Å; R691-Y695 PolarHBondContact O-N 2.92Å; V692-Y695 PolarHBondContact O-N 3.06Å; V693-Y695 PolarHBondContact O-N 3.37Å; Y695-S697 PolarHBondContact O-N 3.42Å; Y695-R698 PolarHBondContact O-N 2.89Å; Y695-R698 VanDerWaalsContact O-N 3.15Å; Y695-V699 HydrophobicContact CD1-CG1 4.47Å; Y695-V699 HydrophobicContact CE1-CG1 4.05Å; Y695-V699 HydrophobicContact CE2-CB 4.13Å; Y695-V699 HydrophobicContact CE2-CG1 4.23Å; Y695-V699 WeakPolarHBondContact O-CG1 3.23Å; Y695-V699 PolarHBondContact O-N 3.1Å
696	L	97.7	Very high	95.6	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-59.7	-46.2	-178.6	-71.8	176.1	0	0	0	111.8	V655 M656 V659 V692 V693 R698 V699 L700 L723 F754	V655-L696 HydrophobicContact CG1-CD2 3.45Å; V655-L696 VanDerWaalsContact CG1-CD2 3.45Å; M656-L696 HydrophobicContact CE-CD2 4.49Å; V659-L696 HydrophobicContact CG2-CD1 4.45Å; V659-L696 HydrophobicContact CG2-CD2 3.77Å; V659-L696 HydrophobicContact CG2-CG 4.15Å; V692-L696 HydrophobicContact CG1-CD1 3.8Å; V692-L696 HydrophobicContact CG1-CG 4.23Å; V692-L696 WeakPolarHBondContact O-CB 3.08Å; V692-L696 WeakPolarHBondContact O-CG 3.26Å; V692-L696 PolarHBondContact O-N 3.32Å; V693-L696 PolarHBondContact O-N 3.09Å; L696-R698 PolarHBondContact O-N 3.2Å; L696-V699 PolarHBondContact O-N 3.33Å; L696-L700 HydrophobicContact CB-CD1 4.47Å; L696-L700 HydrophobicContact CD2-CD1 4.38Å; L696-L700 VanDerWaalsContact O-CB 3.25Å; L696-L700 WeakPolarHBondContact O-CB 3.42Å; L696-L700 VanDerWaalsContact O-CG 3.27Å; L696-L700 WeakPolarHBondContact O-CG 3.47Å; L696-L700 PolarHBondContact O-N 3.31Å; L696-L723 HydrophobicContact CD1-CD1 4.24Å; L696-L723 HydrophobicContact CD1-CD2 3.86Å; L696-F754 HydrophobicContact CB-CD1 4.29Å; L696-F754 HydrophobicContact CB-CE1 3.52Å; L696-F754 HydrophobicContact CB-CE2 4.36Å; L696-F754 HydrophobicContact CB-CZ 3.57Å; L696-F754 HydrophobicContact CD1-CD1 4.19Å; L696-F754 HydrophobicContact CD1-CE1 3.92Å; L696-F754 HydrophobicContact CG-CE1 4.31Å
697	S	96.1	Very high	95.6	Very high	51 Å²	51	38 Å²	38	36%	0.357	20%	0.198	S	C	.	.	H	α-helix	trans	-57.3	-41.1	177.1	-55.6	0	0	0	0	111.7	V693 Y695 F754	V693-S697 WeakPolarHBondContact O-CB 3.49Å; V693-S697 PolarHBondContact O-N 3.29Å; V693-S697 PolarHBondContact O-OG 3.39Å; Y695-S697 PolarHBondContact O-N 3.42Å; S697-F754 WeakPolarHBondContact OG-CD2 3.33Å; S697-F754 VanDerWaalsContact OG-CE2 3.23Å; S697-F754 WeakPolarHBondContact OG-CE2 3.46Å
698	R	95.1	Very high	95.5	Very high	128 Å²	128	41.4 Å²	41.4	48%	0.483	21%	0.212	S	C	.	.	H	α-helix	trans	-77	-39.7	-176.8	-175.7	168.8	58.3	83.3	13.3	113.6	E587 A694 Y695 L696	E587-R698 IonicContact OE1-CZ 2.71Å; E587-R698 IonicContact OE1-NH1 2.74Å; E587-R698 PolarHBondContact OE1-NH1 3.04Å; E587-R698 IonicContact OE2-CZ 3.57Å; E587-R698 IonicContact OE2-NH1 2.6Å; E587-R698 PolarHBondContact OE2-NH1 3.1Å; E587-R698 IonicContact OE2-NH2 2.66Å; E587-R698 PolarHBondContact OE2-NH2 2.63Å; A694-R698 VanDerWaalsContact O-CB 3.27Å; A694-R698 WeakPolarHBondContact O-CB 3.26Å; A694-R698 PolarHBondContact O-N 3.08Å; Y695-R698 PolarHBondContact O-N 2.89Å; Y695-R698 VanDerWaalsContact O-N 3.15Å; L696-R698 PolarHBondContact O-N 3.2Å
699	V	94.3	Very high	95.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-77.5	-39.9	-178.5	70.4	0	0	0	0	111.6	E587 F590 V655 Y695 L696 E701 S702	E587-V699 HydrophobicContact CG-CB 4.38Å; E587-V699 HydrophobicContact CG-CG2 3.96Å; F590-V699 HydrophobicContact CB-CG2 4.3Å; F590-V699 HydrophobicContact CD1-CG2 3.52Å; F590-V699 HydrophobicContact CD2-CG2 4.48Å; F590-V699 HydrophobicContact CE1-CG2 3.88Å; F590-V699 WeakPolarHBondContact CE1-O 3.31Å; F590-V699 HydrophobicContact CG-CG2 3.86Å; F590-V699 HydrophobicContact CZ-CG2 4.48Å; V655-V699 HydrophobicContact CG1-CG1 4.3Å; V655-V699 HydrophobicContact CG2-CG1 4.19Å; V655-V699 HydrophobicContact CG2-CG2 4.32Å; Y695-V699 HydrophobicContact CD1-CG1 4.47Å; Y695-V699 HydrophobicContact CE1-CG1 4.05Å; Y695-V699 HydrophobicContact CE2-CB 4.13Å; Y695-V699 HydrophobicContact CE2-CG1 4.23Å; Y695-V699 WeakPolarHBondContact O-CG1 3.23Å; Y695-V699 PolarHBondContact O-N 3.1Å; L696-V699 PolarHBondContact O-N 3.33Å; V699-E701 VanDerWaalsContact C-N 3.29Å; V699-E701 PolarHBondContact O-N 2.83Å; V699-S702 PolarHBondContact O-N 3.03Å; V699-S702 PolarHBondContact O-OG 3.09Å
700	L	96.1	Very high	95.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-76.4	-13.2	-175.1	-62.1	-179.8	0	0	0	113.9	F590 L696 S702 A703 F704 F715 L719 F754 F758	F590-L700 HydrophobicContact CZ-CD2 3.84Å; L696-L700 HydrophobicContact CB-CD1 4.47Å; L696-L700 HydrophobicContact CD2-CD1 4.38Å; L696-L700 VanDerWaalsContact O-CB 3.25Å; L696-L700 WeakPolarHBondContact O-CB 3.42Å; L696-L700 VanDerWaalsContact O-CG 3.27Å; L696-L700 WeakPolarHBondContact O-CG 3.47Å; L696-L700 PolarHBondContact O-N 3.31Å; L700-S702 PolarHBondContact O-N 3.46Å; L700-S702 VanDerWaalsContact O-N 3.16Å; L700-A703 HydrophobicContact CD2-CB 4.42Å; L700-A703 CarbonylContact O-C 3.59Å; L700-A703 WeakPolarHBondContact O-CA 3.33Å; L700-A703 WeakPolarHBondContact O-CB 3.3Å; L700-A703 PolarHBondContact O-N 3.18Å; L700-F704 HydrophobicContact CB-CD2 4.08Å; L700-F704 HydrophobicContact CB-CE2 3.86Å; L700-F704 WeakPolarHBondContact O-CD2 3.36Å; L700-F704 PolarHBondContact O-N 3.36Å; L700-F715 HydrophobicContact CD2-CE1 4.45Å; L700-L719 HydrophobicContact CD1-CD2 3.36Å; L700-L719 HydrophobicContact CD2-CD2 3.53Å; L700-L719 HydrophobicContact CG-CD2 4.11Å; L700-F754 HydrophobicContact CD1-CE1 4.08Å; L700-F754 HydrophobicContact CD1-CZ 3.89Å; L700-F758 HydrophobicContact CD1-CE1 3.91Å; L700-F758 HydrophobicContact CD1-CZ 3.77Å
701	E	94.7	Very high	94.9	Very high	117 Å²	117	52.5 Å²	52.5	55%	0.547	29%	0.285	S	S	.	.	H	α-helix	trans	-50.1	-40.4	170.9	-171.5	61.9	-164.9	0	0	111.9	V699 A703 F704 T705	V699-E701 VanDerWaalsContact C-N 3.29Å; V699-E701 PolarHBondContact O-N 2.83Å; E701-A703 PolarHBondContact O-N 3.24Å; E701-F704 PolarHBondContact O-N 3.43Å; E701-T705 WeakPolarHBondContact O-CG2 3.5Å; E701-T705 PolarHBondContact O-N 2.94Å; E701-T705 PolarHBondContact O-OG1 3.27Å
702	S	92.5	Very high	94.9	Very high	19 Å²	19	51.1 Å²	51.1	13%	0.133	28%	0.281	C	S	.	.	H	α-helix	trans	-68.1	-32.3	175.5	61.8	0	0	0	0	113.7	F590 V699 L700 T705 A706	F590-S702 WeakPolarHBondContact CD1-OG 3.39Å; F590-S702 VanDerWaalsContact CE1-OG 3.25Å; F590-S702 WeakPolarHBondContact CE1-OG 3.01Å; V699-S702 PolarHBondContact O-N 3.03Å; V699-S702 PolarHBondContact O-OG 3.09Å; L700-S702 PolarHBondContact O-N 3.46Å; L700-S702 VanDerWaalsContact O-N 3.16Å; S702-T705 WeakPolarHBondContact CA-OG1 3.41Å; S702-T705 PolarHBondContact O-OG1 3.46Å; S702-A706 WeakPolarHBondContact O-CB 3.49Å; S702-A706 PolarHBondContact O-N 3.43Å
703	A	95.4	Very high	94.7	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-75.1	-36.8	175	0	0	0	0	0	111.8	F590 M594 L700 E701 T705 L707 F715	F590-A703 HydrophobicContact CE1-CB 4.27Å; F590-A703 HydrophobicContact CZ-CB 4.05Å; M594-A703 HydrophobicContact CE-CB 4Å; M594-A703 HydrophobicContact SD-CB 4.07Å; L700-A703 HydrophobicContact CD2-CB 4.42Å; L700-A703 CarbonylContact O-C 3.59Å; L700-A703 WeakPolarHBondContact O-CA 3.33Å; L700-A703 WeakPolarHBondContact O-CB 3.3Å; L700-A703 PolarHBondContact O-N 3.18Å; E701-A703 PolarHBondContact O-N 3.24Å; A703-T705 PolarHBondContact O-N 3.27Å; A703-L707 WeakPolarHBondContact O-CB 3.4Å; A703-L707 PolarHBondContact O-N 3.05Å; A703-L707 VanDerWaalsContact O-N 3.09Å; A703-F715 HydrophobicContact CB-CD1 4.43Å; A703-F715 HydrophobicContact CB-CE1 3.9Å
704	F	94.3	Very high	94.7	Very high	41 Å²	41	57.5 Å²	57.5	18%	0.18	32%	0.32	C	S	.	.	H	α-helix	trans	-64.3	-30.6	177.6	-78.7	-70	0	0	0	113.1	L700 E701 K712 L716 F758	L700-F704 HydrophobicContact CB-CD2 4.08Å; L700-F704 HydrophobicContact CB-CE2 3.86Å; L700-F704 WeakPolarHBondContact O-CD2 3.36Å; L700-F704 PolarHBondContact O-N 3.36Å; E701-F704 PolarHBondContact O-N 3.43Å; F704-K712 VanDerWaalsContact CD1-CE 3.47Å; F704-K712 PolarHBondContact O-NZ 3.13Å; F704-L716 HydrophobicContact CD1-CD1 4.15Å; F704-L716 HydrophobicContact CE1-CD1 3.58Å; F704-L716 HydrophobicContact CE1-CD2 4.23Å; F704-L716 HydrophobicContact CZ-CD1 4.25Å; F704-L716 HydrophobicContact CZ-CD2 4.15Å; F704-F758 AromaticContact CZ-CD1 3.92Å; F704-F758 HydrophobicContact CZ-CD1 3.92Å; F704-F758 HydrophobicContact CZ-CE1 4.13Å
705	T	91.5	Very high	94.7	Very high	78 Å²	78	55.3 Å²	55.3	48%	0.479	30%	0.301	S	S	.	.	H	α-helix	trans	-92.2	-31.4	179.8	48.3	0	0	0	0	113.3	E701 S702 A703	E701-T705 WeakPolarHBondContact O-CG2 3.5Å; E701-T705 PolarHBondContact O-N 2.94Å; E701-T705 PolarHBondContact O-OG1 3.27Å; S702-T705 WeakPolarHBondContact CA-OG1 3.41Å; S702-T705 PolarHBondContact O-OG1 3.46Å; A703-T705 PolarHBondContact O-N 3.27Å
706	A	93.6	Very high	94.8	Very high	11 Å²	11	55.1 Å²	55.1	9%	0.091	30%	0.3	C	S	.	.	H	α-helix	trans	-86.1	-28.8	-178	0	0	0	0	0	114.8	M594 Q598 S702	M594-A706 HydrophobicContact CB-CB 3.84Å; M594-A706 WeakPolarHBondContact O-CB 3.38Å; M594-A706 HydrophobicContact SD-CB 4.48Å; Q598-A706 HydrophobicContact CB-CB 4.01Å; S702-A706 WeakPolarHBondContact O-CB 3.49Å; S702-A706 PolarHBondContact O-N 3.43Å
707	L	95.3	Very high	94.7	Very high	8 Å²	8	56.4 Å²	56.4	4%	0.042	31%	0.308	C	S	.	.			trans	-104.4	142.7	-176.5	-57.1	178.3	0	0	0	111.1	M594 V597 L648 A703 K712 F715	M594-L707 HydrophobicContact SD-CD1 4.31Å; M594-L707 HydrophobicContact SD-CG 4.27Å; V597-L707 HydrophobicContact CG1-CD2 3.78Å; L648-L707 HydrophobicContact CD2-CD1 4.26Å; L648-L707 HydrophobicContact CD2-CD2 4.18Å; A703-L707 WeakPolarHBondContact O-CB 3.4Å; A703-L707 PolarHBondContact O-N 3.05Å; A703-L707 VanDerWaalsContact O-N 3.09Å; L707-K712 HydrophobicContact CB-CB 3.9Å; L707-K712 HydrophobicContact CB-CG 4.31Å; L707-K712 WeakPolarHBondContact O-CD 3.02Å; L707-F715 HydrophobicContact CD1-CB 3.7Å; L707-F715 HydrophobicContact CD1-CD1 3.79Å; L707-F715 HydrophobicContact CD1-CD2 4.04Å; L707-F715 HydrophobicContact CD1-CE1 4.44Å; L707-F715 HydrophobicContact CD1-CG 3.56Å
708	E	91	Very high	94.8	Very high	152 Å²	152	56.9 Å²	56.9	71%	0.71	30%	0.304	S	S	*	.			trans	-129.7	158.3	-178.2	-63.9	-176.9	179.2	0	0	112.5	L710 N711 K712	E708-L710 PolarHBondContact O-N 3.01Å; E708-N711 PolarHBondContact O-N 3.45Å; E708-K712 PolarHBondContact O-N 3.49Å; E708-K712 VanDerWaalsContact O-N 3.17Å
709	G	92.9	Very high	95	Very high	59 Å²	59	50.9 Å²	50.9	61%	0.608	28%	0.282	S	S	*	.	H	α-helix	trans	51.5	-133.6	172	0	0	0	0	0	114.7	N711 K712 Q713	G709-N711 VanDerWaalsContact C-N 3.26Å; G709-N711 PolarHBondContact O-N 2.86Å; G709-K712 WeakPolarHBondContact O-CB 3.3Å; G709-K712 PolarHBondContact O-N 3.12Å; G709-Q713 PolarHBondContact O-N 3.05Å; G709-Q713 VanDerWaalsContact O-N 3.09Å
710	L	93.5	Very high	95.1	Very high	138 Å²	138	50.9 Å²	50.9	72%	0.723	28%	0.282	S	S	*	.	H	α-helix	trans	-63.7	-30.5	-177.7	-63.1	178.3	0	0	0	112.9	E708 Q713 A714	E708-L710 PolarHBondContact O-N 3.01Å; L710-Q713 PolarHBondContact O-N 3.37Å; L710-A714 VanDerWaalsContact O-CB 3.3Å; L710-A714 WeakPolarHBondContact O-CB 3.09Å; L710-A714 PolarHBondContact O-N 2.73Å
711	N	93.5	Very high	95.2	Very high	121 Å²	121	52.4 Å²	52.4	65%	0.647	29%	0.29	S	S	*	.	H	α-helix	trans	-67.4	-43.6	177.7	-68.9	-26.9	0	0	0	111	E708 G709 A714 F715	E708-N711 PolarHBondContact O-N 3.45Å; G709-N711 VanDerWaalsContact C-N 3.26Å; G709-N711 PolarHBondContact O-N 2.86Å; N711-A714 PolarHBondContact O-N 3.15Å; N711-F715 WeakPolarHBondContact O-CB 3.43Å; N711-F715 PolarHBondContact O-N 3.32Å
712	K	95.5	Very high	95.4	Very high	62 Å²	62	51.2 Å²	51.2	27%	0.27	28%	0.281	S	S	.	.	H	α-helix	trans	-60	-48.1	173.2	-175.3	-179.5	-173.7	155.3	0	111.2	F704 L707 E708 G709 A714 F715 L716	F704-K712 VanDerWaalsContact CD1-CE 3.47Å; F704-K712 PolarHBondContact O-NZ 3.13Å; L707-K712 HydrophobicContact CB-CB 3.9Å; L707-K712 HydrophobicContact CB-CG 4.31Å; L707-K712 WeakPolarHBondContact O-CD 3.02Å; E708-K712 PolarHBondContact O-N 3.49Å; E708-K712 VanDerWaalsContact O-N 3.17Å; G709-K712 WeakPolarHBondContact O-CB 3.3Å; G709-K712 PolarHBondContact O-N 3.12Å; K712-A714 PolarHBondContact O-N 3.2Å; K712-F715 PolarHBondContact O-N 3.2Å; K712-L716 HydrophobicContact CG-CD1 3.8Å; K712-L716 HydrophobicContact CG-CG 4.47Å; K712-L716 WeakPolarHBondContact O-CB 3.46Å; K712-L716 WeakPolarHBondContact O-CG 3.37Å; K712-L716 PolarHBondContact O-N 3.44Å
713	Q	95.6	Very high	95.6	Very high	94 Å²	94	50.4 Å²	50.4	44%	0.439	28%	0.275	S	S	.	.	H	α-helix	trans	-61.4	-45.6	-179.5	-171.2	-178.1	-1.8	0	0	111.7	G709 L710 T717	G709-Q713 PolarHBondContact O-N 3.05Å; G709-Q713 VanDerWaalsContact O-N 3.09Å; L710-Q713 PolarHBondContact O-N 3.37Å; Q713-T717 VanDerWaalsContact O-CB 3.26Å; Q713-T717 WeakPolarHBondContact O-CB 3.44Å; Q713-T717 PolarHBondContact O-N 3.2Å; Q713-T717 PolarHBondContact O-OG1 2.95Å
714	A	96.4	Very high	95.7	Very high	62 Å²	62	51.9 Å²	51.9	51%	0.512	28%	0.282	S	S	.	.	H	α-helix	trans	-62.7	-45.6	178.4	0	0	0	0	0	111.9	L710 N711 K712 T717 E718	L710-A714 VanDerWaalsContact O-CB 3.3Å; L710-A714 WeakPolarHBondContact O-CB 3.09Å; L710-A714 PolarHBondContact O-N 2.73Å; N711-A714 PolarHBondContact O-N 3.15Å; K712-A714 PolarHBondContact O-N 3.2Å; A714-T717 PolarHBondContact O-N 3.26Å; A714-E718 PolarHBondContact O-N 3.3Å
715	F	97.6	Very high	95.7	Very high	10 Å²	10	56.6 Å²	56.6	4%	0.044	30%	0.302	C	S	.	.	H	α-helix	trans	-60.8	-49.5	178.8	-179.1	-92.5	0	0	0	112.2	F590 M594 L648 C651 I652 L700 A703 L707 N711 K712 T717 E718 L719	F590-F715 HydrophobicContact CE2-CZ 4.12Å; F590-F715 HydrophobicContact CZ-CZ 4.16Å; M594-F715 HydrophobicContact CE-CE1 4.15Å; M594-F715 HydrophobicContact CE-CE2 3.78Å; M594-F715 HydrophobicContact CE-CZ 3.5Å; M594-F715 VanDerWaalsContact CE-CZ 3.5Å; L648-F715 HydrophobicContact CB-CD2 4.23Å; L648-F715 HydrophobicContact CB-CE2 4.33Å; L648-F715 HydrophobicContact CD2-CD2 4Å; L648-F715 HydrophobicContact CD2-CE2 4Å; C651-F715 HydrophobicContact CB-CE2 4.31Å; C651-F715 HydrophobicContact CB-CZ 4.46Å; I652-F715 HydrophobicContact CD1-CD2 3.98Å; I652-F715 HydrophobicContact CD1-CE2 3.94Å; I652-F715 HydrophobicContact CG1-CD2 4.07Å; I652-F715 HydrophobicContact CG1-CE2 3.5Å; I652-F715 HydrophobicContact CG1-CZ 3.85Å; L700-F715 HydrophobicContact CD2-CE1 4.45Å; A703-F715 HydrophobicContact CB-CD1 4.43Å; A703-F715 HydrophobicContact CB-CE1 3.9Å; L707-F715 HydrophobicContact CD1-CB 3.7Å; L707-F715 HydrophobicContact CD1-CD1 3.79Å; L707-F715 HydrophobicContact CD1-CD2 4.04Å; L707-F715 HydrophobicContact CD1-CE1 4.44Å; L707-F715 HydrophobicContact CD1-CG 3.56Å; N711-F715 WeakPolarHBondContact O-CB 3.43Å; N711-F715 PolarHBondContact O-N 3.32Å; K712-F715 PolarHBondContact O-N 3.2Å; F715-T717 VanDerWaalsContact C-N 3.35Å; F715-T717 PolarHBondContact O-N 3.34Å; F715-E718 PolarHBondContact O-N 3.26Å; F715-L719 HydrophobicContact CE1-CD2 4.36Å; F715-L719 WeakPolarHBondContact O-CB 3.3Å; F715-L719 PolarHBondContact O-N 3.41Å
716	L	97.2	Very high	96	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-68.5	-34.8	-179.2	-66	173.8	0	0	0	112.1	F704 K712 L719 G720 F758	F704-L716 HydrophobicContact CD1-CD1 4.15Å; F704-L716 HydrophobicContact CE1-CD1 3.58Å; F704-L716 HydrophobicContact CE1-CD2 4.23Å; F704-L716 HydrophobicContact CZ-CD1 4.25Å; F704-L716 HydrophobicContact CZ-CD2 4.15Å; K712-L716 HydrophobicContact CG-CD1 3.8Å; K712-L716 HydrophobicContact CG-CG 4.47Å; K712-L716 WeakPolarHBondContact O-CB 3.46Å; K712-L716 WeakPolarHBondContact O-CG 3.37Å; K712-L716 PolarHBondContact O-N 3.44Å; L716-L719 PolarHBondContact O-N 3.12Å; L716-G720 PolarHBondContact O-N 3.42Å; L716-F758 HydrophobicContact CB-CB 3.98Å; L716-F758 HydrophobicContact CB-CD2 4.03Å; L716-F758 HydrophobicContact CB-CG 3.98Å; L716-F758 HydrophobicContact CD1-CB 4.45Å; L716-F758 HydrophobicContact CD2-CD1 4.07Å; L716-F758 HydrophobicContact CD2-CE1 4.15Å; L716-F758 HydrophobicContact CD2-CG 4.26Å; L716-F758 HydrophobicContact CD2-CZ 4.4Å; L716-F758 VanDerWaalsContact O-CD2 3.23Å; L716-F758 WeakPolarHBondContact O-CD2 3.41Å
717	T	97.6	Very high	96.2	Very high	28 Å²	28	53.6 Å²	53.6	17%	0.172	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-47.8	174.6	-60	0	0	0	0	111.2	Q713 A714 F715 G720 N721 V763	Q713-T717 VanDerWaalsContact O-CB 3.26Å; Q713-T717 WeakPolarHBondContact O-CB 3.44Å; Q713-T717 PolarHBondContact O-N 3.2Å; Q713-T717 PolarHBondContact O-OG1 2.95Å; A714-T717 PolarHBondContact O-N 3.26Å; F715-T717 VanDerWaalsContact C-N 3.35Å; F715-T717 PolarHBondContact O-N 3.34Å; T717-G720 PolarHBondContact O-N 2.96Å; T717-N721 PolarHBondContact O-N 3.48Å; T717-N721 PolarHBondContact O-ND2 3.21Å; T717-N721 VanDerWaalsContact O-ND2 3.07Å; T717-V763 HydrophobicContact CG2-CG2 4.12Å; T717-V763 WeakPolarHBondContact O-CG2 2.86Å
718	E	98	Very high	96.1	Very high	61 Å²	61	53.8 Å²	53.8	29%	0.285	28%	0.283	S	S	.	.	H	α-helix	trans	-64.4	-43.5	177.5	178.6	60.4	-168.8	0	0	111.4	I652 A714 F715 G720 N721 R722	I652-E718 HydrophobicContact CD1-CB 3.97Å; I652-E718 HydrophobicContact CD1-CG 3.67Å; A714-E718 PolarHBondContact O-N 3.3Å; F715-E718 PolarHBondContact O-N 3.26Å; E718-G720 VanDerWaalsContact C-N 3.35Å; E718-G720 PolarHBondContact O-N 3.45Å; E718-N721 PolarHBondContact O-N 2.93Å; E718-R722 VanDerWaalsContact O-CG 3.27Å; E718-R722 WeakPolarHBondContact O-CG 3.33Å; E718-R722 PolarHBondContact O-N 2.88Å; E718-R722 IonicContact OE1-CZ 3.66Å; E718-R722 IonicContact OE1-NE 3.74Å; E718-R722 PolarHBondContact OE1-NE 2.72Å; E718-R722 IonicContact OE1-NH2 2.77Å; E718-R722 PolarHBondContact OE1-NH2 3.44Å
719	L	98	Very high	96.3	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-59.1	-45.2	176.4	-174.8	70.5	0	0	0	112.1	I652 V655 M656 L700 F715 L716 R722 L723 F758	I652-L719 HydrophobicContact CB-CD1 4.48Å; I652-L719 HydrophobicContact CG1-CD1 4.34Å; I652-L719 HydrophobicContact CG2-CD1 4.03Å; V655-L719 HydrophobicContact CB-CD1 4.41Å; V655-L719 HydrophobicContact CG1-CD1 4.22Å; M656-L719 HydrophobicContact CE-CD1 3.5Å; M656-L719 HydrophobicContact CE-CG 4.35Å; M656-L719 HydrophobicContact SD-CD1 4.41Å; L700-L719 HydrophobicContact CD1-CD2 3.36Å; L700-L719 HydrophobicContact CD2-CD2 3.53Å; L700-L719 HydrophobicContact CG-CD2 4.11Å; F715-L719 HydrophobicContact CE1-CD2 4.36Å; F715-L719 WeakPolarHBondContact O-CB 3.3Å; F715-L719 PolarHBondContact O-N 3.41Å; L716-L719 PolarHBondContact O-N 3.12Å; L719-R722 PolarHBondContact O-N 2.94Å; L719-L723 WeakPolarHBondContact O-CB 3.24Å; L719-L723 PolarHBondContact O-N 2.84Å; L719-F758 HydrophobicContact CB-CE2 4.41Å; L719-F758 HydrophobicContact CD2-CE2 4.11Å; L719-F758 HydrophobicContact CD2-CZ 3.86Å; L719-F758 HydrophobicContact CG-CE2 4.33Å; L719-F758 HydrophobicContact CG-CZ 4.47Å
720	G	97.9	Very high	96.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.1	-42.8	177.3	0	0	0	0	0	112.5	L716 T717 E718 R722 L723 E724	L716-G720 PolarHBondContact O-N 3.42Å; T717-G720 PolarHBondContact O-N 2.96Å; E718-G720 VanDerWaalsContact C-N 3.35Å; E718-G720 PolarHBondContact O-N 3.45Å; G720-R722 VanDerWaalsContact C-N 3.34Å; G720-R722 PolarHBondContact O-N 2.92Å; G720-L723 PolarHBondContact O-N 3.4Å; G720-E724 PolarHBondContact O-N 3.27Å
721	N	97.3	Very high	96.6	Very high	33 Å²	33	41 Å²	41	18%	0.176	21%	0.208	C	C	.	.	H	α-helix	trans	-62.3	-39.9	174.5	-71.4	-37.8	0	0	0	112.5	T717 E718 K725 K766	T717-N721 PolarHBondContact O-N 3.48Å; T717-N721 PolarHBondContact O-ND2 3.21Å; T717-N721 VanDerWaalsContact O-ND2 3.07Å; E718-N721 PolarHBondContact O-N 2.93Å; N721-K725 PolarHBondContact O-N 2.87Å; N721-K766 PolarHBondContact OD1-NZ 3.26Å
722	R	97.9	Very high	96.6	Very high	92 Å²	92	38.6 Å²	38.6	35%	0.347	19%	0.193	S	C	.	.	H	α-helix	trans	-67.7	-40.6	176.6	-67.4	-71	-179.8	114.6	8.1	111.6	I652 M656 E718 L719 G720 L726	I652-R722 HydrophobicContact CG2-CB 4.45Å; I652-R722 HydrophobicContact CG2-CG 4Å; M656-R722 HydrophobicContact CG-CB 3.83Å; M656-R722 HydrophobicContact SD-CB 3.66Å; E718-R722 VanDerWaalsContact O-CG 3.27Å; E718-R722 WeakPolarHBondContact O-CG 3.33Å; E718-R722 PolarHBondContact O-N 2.88Å; E718-R722 IonicContact OE1-CZ 3.66Å; E718-R722 IonicContact OE1-NE 3.74Å; E718-R722 PolarHBondContact OE1-NE 2.72Å; E718-R722 IonicContact OE1-NH2 2.77Å; E718-R722 PolarHBondContact OE1-NH2 3.44Å; L719-R722 PolarHBondContact O-N 2.94Å; G720-R722 VanDerWaalsContact C-N 3.34Å; G720-R722 PolarHBondContact O-N 2.92Å; R722-L726 WeakPolarHBondContact O-CB 3.47Å; R722-L726 PolarHBondContact O-N 2.66Å
723	L	98.1	Very high	96.6	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-62.5	-47.6	177.4	-178.9	61.7	0	0	0	111.3	M656 V659 L696 L719 G720 K725 L726 L727 V755 F767	M656-L723 HydrophobicContact CE-CB 4.49Å; M656-L723 HydrophobicContact SD-CB 4.3Å; V659-L723 HydrophobicContact CG1-CD1 3.96Å; L696-L723 HydrophobicContact CD1-CD1 4.24Å; L696-L723 HydrophobicContact CD1-CD2 3.86Å; L719-L723 WeakPolarHBondContact O-CB 3.24Å; L719-L723 PolarHBondContact O-N 2.84Å; G720-L723 PolarHBondContact O-N 3.4Å; L723-K725 PolarHBondContact O-N 3.48Å; L723-L726 PolarHBondContact O-N 2.95Å; L723-L727 HydrophobicContact CD1-CD1 4.22Å; L723-L727 HydrophobicContact CD1-CG 4.2Å; L723-L727 HydrophobicContact CG-CD1 4.04Å; L723-L727 HydrophobicContact CG-CG 4.44Å; L723-L727 VanDerWaalsContact O-CG 3.3Å; L723-L727 WeakPolarHBondContact O-CG 3.45Å; L723-L727 PolarHBondContact O-N 2.64Å; L723-V755 HydrophobicContact CD2-CG2 4.01Å; L723-F767 HydrophobicContact CB-CZ 4.42Å; L723-F767 HydrophobicContact CD2-CZ 3.99Å; L723-F767 HydrophobicContact CG-CZ 4.03Å
724	E	96	Very high	96.5	Very high	31 Å²	31	38.1 Å²	38.1	15%	0.145	19%	0.19	C	C	.	.	H	α-helix	trans	-56.2	-51.1	177.3	175.2	-96.4	168.8	0	0	112.1	G720 L726 L727 L728 K766 F767 L770	G720-E724 PolarHBondContact O-N 3.27Å; E724-L726 VanDerWaalsContact C-N 3.3Å; E724-L726 PolarHBondContact O-N 3.16Å; E724-L727 PolarHBondContact O-N 3.08Å; E724-L728 PolarHBondContact O-N 3.04Å; E724-L728 WeakPolarHBondContact OE1-CD1 3.5Å; E724-K766 HydrophobicContact CG-CB 4.18Å; E724-F767 HydrophobicContact CB-CD2 4.38Å; E724-F767 HydrophobicContact CB-CE2 3.76Å; E724-F767 HydrophobicContact CB-CZ 4.12Å; E724-L770 HydrophobicContact CG-CD1 4.08Å; E724-L770 HydrophobicContact CG-CD2 4.38Å; E724-L770 HydrophobicContact CG-CG 4.41Å
725	K	95.9	Very high	96.4	Very high	140 Å²	140	38.3 Å²	38.3	61%	0.609	18%	0.184	S	C	*	.	H	α-helix	trans	-61.5	-38.8	178.3	-174.3	175.7	-179.3	179.5	0	112.8	N721 L723 T729	N721-K725 PolarHBondContact O-N 2.87Å; L723-K725 PolarHBondContact O-N 3.48Å; K725-T729 WeakPolarHBondContact O-CB 3.19Å; K725-T729 PolarHBondContact O-N 3.27Å; K725-T729 PolarHBondContact O-OG1 3.13Å
726	L	97.5	Very high	96.2	Very high	27 Å²	27	38 Å²	38	14%	0.141	18%	0.183	C	C	.	.	H	α-helix	trans	-67.8	-43.3	179.1	-178.7	147.4	0	0	0	111.2	M656 V659 D660 L663 R722 L723 E724 T729 H730	M656-L726 HydrophobicContact CB-CD1 4.19Å; M656-L726 WeakPolarHBondContact O-CD1 3.43Å; M656-L726 HydrophobicContact SD-CD1 4.42Å; V659-L726 HydrophobicContact CB-CD2 4.37Å; V659-L726 HydrophobicContact CG1-CD2 3.61Å; D660-L726 HydrophobicContact CB-CD1 3.97Å; L663-L726 HydrophobicContact CD1-CD2 3.37Å; R722-L726 WeakPolarHBondContact O-CB 3.47Å; R722-L726 PolarHBondContact O-N 2.66Å; L723-L726 PolarHBondContact O-N 2.95Å; E724-L726 VanDerWaalsContact C-N 3.3Å; E724-L726 PolarHBondContact O-N 3.16Å; L726-T729 PolarHBondContact O-N 3.46Å; L726-H730 WeakPolarHBondContact O-CB 3.22Å; L726-H730 PolarHBondContact O-N 3.1Å
727	L	97.1	Very high	95.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-46.6	174.6	-70.1	172.4	0	0	0	111.9	L663 L723 E724 T729 H730 W731 Y751 F767	L663-L727 HydrophobicContact CD1-CD2 3.93Å; L663-L727 HydrophobicContact CD2-CD2 4.39Å; L723-L727 HydrophobicContact CD1-CD1 4.22Å; L723-L727 HydrophobicContact CD1-CG 4.2Å; L723-L727 HydrophobicContact CG-CD1 4.04Å; L723-L727 HydrophobicContact CG-CG 4.44Å; L723-L727 VanDerWaalsContact O-CG 3.3Å; L723-L727 WeakPolarHBondContact O-CG 3.45Å; L723-L727 PolarHBondContact O-N 2.64Å; E724-L727 PolarHBondContact O-N 3.08Å; L727-T729 VanDerWaalsContact C-N 3.27Å; L727-T729 PolarHBondContact O-N 3.23Å; L727-H730 PolarHBondContact O-N 3.4Å; L727-H730 VanDerWaalsContact O-N 3.15Å; L727-W731 HydrophobicContact CB-CE3 4.28Å; L727-W731 HydrophobicContact CB-CH2 3.83Å; L727-W731 HydrophobicContact CB-CZ2 4.13Å; L727-W731 HydrophobicContact CB-CZ3 3.94Å; L727-W731 HydrophobicContact CD1-CH2 4.12Å; L727-W731 HydrophobicContact CD1-CZ2 4.47Å; L727-W731 HydrophobicContact CD2-CH2 4.45Å; L727-W731 HydrophobicContact CD2-CZ2 4.06Å; L727-W731 HydrophobicContact CG-CH2 4.36Å; L727-W731 HydrophobicContact CG-CZ2 4.45Å; L727-W731 PolarHBondContact O-N 3.2Å; L727-Y751 HydrophobicContact CD1-CD1 4.33Å; L727-Y751 HydrophobicContact CD1-CD2 3.94Å; L727-Y751 HydrophobicContact CD1-CE2 4.16Å; L727-Y751 HydrophobicContact CD1-CG 4.03Å; L727-Y751 HydrophobicContact CD2-CD2 4.35Å; L727-Y751 HydrophobicContact CD2-CE1 4.29Å; L727-Y751 HydrophobicContact CD2-CE2 3.73Å; L727-F767 HydrophobicContact CD1-CE1 3.84Å; L727-F767 HydrophobicContact CD1-CZ 4.15Å
728	L	93.9	Very high	95.6	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.063	20%	0.2	C	C	.	.	H	α-helix	trans	-57.3	-41.4	175.4	-80.4	178	0	0	0	112.4	E724 Q732 L770 F801	E724-L728 PolarHBondContact O-N 3.04Å; E724-L728 WeakPolarHBondContact OE1-CD1 3.5Å; L728-Q732 WeakPolarHBondContact O-CG 3.33Å; L728-Q732 PolarHBondContact O-N 3.37Å; L728-Q732 PolarHBondContact O-NE2 2.68Å; L728-Q732 VanDerWaalsContact O-NE2 3.09Å; L728-L770 HydrophobicContact CD1-CD2 4.13Å; L728-L770 HydrophobicContact CD2-CD2 3.41Å; L728-L770 VanDerWaalsContact CD2-CD2 3.41Å; L728-L770 HydrophobicContact CG-CD2 3.67Å; L728-F801 HydrophobicContact CB-CZ 4.4Å; L728-F801 HydrophobicContact CD2-CE1 4.34Å; L728-F801 HydrophobicContact CD2-CE2 3.65Å; L728-F801 HydrophobicContact CD2-CZ 3.42Å; L728-F801 VanDerWaalsContact CD2-CZ 3.42Å; L728-F801 WeakPolarHBondContact O-CZ 3.36Å
729	T	95.2	Very high	95.1	Very high	75 Å²	75	40.4 Å²	40.4	46%	0.46	21%	0.205	S	C	.	.	H	α-helix	trans	-70.5	-37.5	178.6	-54.9	0	0	0	0	111.3	K725 L726 L727	K725-T729 WeakPolarHBondContact O-CB 3.19Å; K725-T729 PolarHBondContact O-N 3.27Å; K725-T729 PolarHBondContact O-OG1 3.13Å; L726-T729 PolarHBondContact O-N 3.46Å; L727-T729 VanDerWaalsContact C-N 3.27Å; L727-T729 PolarHBondContact O-N 3.23Å
730	H	96.2	Very high	94.8	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.019	21%	0.205	C	C	.	.	H	α-helix	trans	-66.1	-48.9	177.7	-179.1	74.4	0	0	0	111.6	L663 L726 L727 Q732 K733 F734	L663-H730 VanDerWaalsContact C-CE1 3.47Å; L663-H730 HydrophobicContact CD1-CB 3.99Å; L663-H730 PolarHBondContact O-CE1 3.24Å; L663-H730 VanDerWaalsContact O-CE1 3.24Å; L726-H730 WeakPolarHBondContact O-CB 3.22Å; L726-H730 PolarHBondContact O-N 3.1Å; L727-H730 PolarHBondContact O-N 3.4Å; L727-H730 VanDerWaalsContact O-N 3.15Å; H730-Q732 PolarHBondContact O-N 3.06Å; H730-K733 VanDerWaalsContact O-CB 3.3Å; H730-K733 WeakPolarHBondContact O-CB 3.45Å; H730-K733 WeakPolarHBondContact O-CG 3.38Å; H730-K733 PolarHBondContact O-N 2.91Å; H730-F734 AromaticContact CD2-CE2 3.85Å; H730-F734 AromaticContact CE1-CE2 3.71Å; H730-F734 AromaticContact CE1-CZ 3.93Å; H730-F734 AromaticContact NE2-CE2 3.36Å; H730-F734 WeakPolarHBondContact NE2-CE2 3.41Å; H730-F734 AromaticContact NE2-CZ 3.67Å; H730-F734 WeakPolarHBondContact O-CD2 3.45Å; H730-F734 WeakPolarHBondContact O-CE2 3.31Å
731	W	95.4	Very high	94.5	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-65.5	-24.3	-178.5	-66.5	-36.7	0	0	0	113.9	Y672 L727 K733 F734 F736 L744 L748 Y751 L770 F801	Y672-W731 PolarHBondContact OH-NE1 3.15Å; L727-W731 HydrophobicContact CB-CE3 4.28Å; L727-W731 HydrophobicContact CB-CH2 3.83Å; L727-W731 HydrophobicContact CB-CZ2 4.13Å; L727-W731 HydrophobicContact CB-CZ3 3.94Å; L727-W731 HydrophobicContact CD1-CH2 4.12Å; L727-W731 HydrophobicContact CD1-CZ2 4.47Å; L727-W731 HydrophobicContact CD2-CH2 4.45Å; L727-W731 HydrophobicContact CD2-CZ2 4.06Å; L727-W731 HydrophobicContact CG-CH2 4.36Å; L727-W731 HydrophobicContact CG-CZ2 4.45Å; L727-W731 PolarHBondContact O-N 3.2Å; W731-K733 PolarHBondContact O-N 2.99Å; W731-F734 PolarHBondContact O-N 3.26Å; W731-F734 VanDerWaalsContact O-N 3.15Å; W731-F736 HydrophobicContact CB-CZ 4.18Å; W731-F736 WeakPolarHBondContact O-CE2 3.43Å; W731-L744 HydrophobicContact CD2-CD1 3.64Å; W731-L744 HydrophobicContact CE3-CD1 4.15Å; W731-L744 HydrophobicContact CG-CD1 4.13Å; W731-L744 HydrophobicContact CH2-CD1 4.04Å; W731-L744 HydrophobicContact CZ2-CD1 3.48Å; W731-L744 VanDerWaalsContact CZ2-CD1 3.48Å; W731-L744 HydrophobicContact CZ3-CD1 4.32Å; W731-L748 HydrophobicContact CH2-CD2 3.4Å; W731-L748 HydrophobicContact CH2-CG 3.84Å; W731-L748 HydrophobicContact CZ2-CD2 4.38Å; W731-L748 HydrophobicContact CZ2-CG 4.46Å; W731-L748 HydrophobicContact CZ3-CD2 3.92Å; W731-L748 HydrophobicContact CZ3-CG 4.44Å; W731-Y751 HydrophobicContact CH2-CD2 4.48Å; W731-Y751 HydrophobicContact CZ2-CD2 4.22Å; W731-Y751 AromaticContact CZ2-CE2 3.98Å; W731-Y751 HydrophobicContact CZ2-CE2 3.98Å; W731-L770 HydrophobicContact CH2-CD1 4.44Å; W731-L770 HydrophobicContact CZ3-CD1 4.13Å; W731-F801 HydrophobicContact CB-CE1 3.9Å; W731-F801 HydrophobicContact CB-CZ 4.32Å
732	Q	94.3	Very high	94.3	Very high	70 Å²	70	43.1 Å²	43.1	33%	0.327	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-12.7	172.7	-78.7	172.4	58.2	0	0	114.4	L728 H730 F734 F801 L804	L728-Q732 WeakPolarHBondContact O-CG 3.33Å; L728-Q732 PolarHBondContact O-N 3.37Å; L728-Q732 PolarHBondContact O-NE2 2.68Å; L728-Q732 VanDerWaalsContact O-NE2 3.09Å; H730-Q732 PolarHBondContact O-N 3.06Å; Q732-F734 VanDerWaalsContact C-N 3.32Å; Q732-F801 HydrophobicContact CG-CD2 4.45Å; Q732-F801 HydrophobicContact CG-CE2 3.82Å; Q732-F801 HydrophobicContact CG-CZ 3.97Å; Q732-L804 HydrophobicContact CB-CD1 4.46Å; Q732-L804 HydrophobicContact CG-CD1 4.24Å
733	K	94.6	Very high	94	Very high	127 Å²	127	40.6 Å²	40.6	55%	0.552	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.4	177.6	-57	173.1	-175.5	173.8	0	113.4	H730 W731	H730-K733 VanDerWaalsContact O-CB 3.3Å; H730-K733 WeakPolarHBondContact O-CB 3.45Å; H730-K733 WeakPolarHBondContact O-CG 3.38Å; H730-K733 PolarHBondContact O-N 2.91Å; W731-K733 PolarHBondContact O-N 2.99Å
734	F	95.1	Very high	93.8	Very high	20 Å²	20	40.5 Å²	40.5	9%	0.088	21%	0.21	C	C	.	.			trans	-115.9	162.7	-171	-61.9	-93.7	0	0	0	112.9	Q667 K668 Y672 H730 W731 Q732 F736	Q667-F734 HydrophobicContact CB-CZ 3.97Å; Q667-F734 HydrophobicContact CG-CE1 3.72Å; Q667-F734 HydrophobicContact CG-CE2 4.12Å; Q667-F734 HydrophobicContact CG-CZ 3.35Å; K668-F734 WeakPolarHBondContact O-CE1 3.27Å; Y672-F734 HydrophobicContact CD2-CB 3.99Å; Y672-F734 AromaticContact CD2-CD1 3.79Å; Y672-F734 HydrophobicContact CD2-CD1 3.79Å; Y672-F734 HydrophobicContact CD2-CD2 4.32Å; Y672-F734 HydrophobicContact CD2-CE1 4.38Å; Y672-F734 AromaticContact CD2-CG 3.76Å; Y672-F734 HydrophobicContact CD2-CG 3.76Å; Y672-F734 HydrophobicContact CE2-CD1 4.26Å; Y672-F734 HydrophobicContact CE2-CD2 4.29Å; Y672-F734 HydrophobicContact CE2-CE1 4.47Å; Y672-F734 HydrophobicContact CE2-CG 4.17Å; H730-F734 AromaticContact CD2-CE2 3.85Å; H730-F734 AromaticContact CE1-CE2 3.71Å; H730-F734 AromaticContact CE1-CZ 3.93Å; H730-F734 AromaticContact NE2-CE2 3.36Å; H730-F734 WeakPolarHBondContact NE2-CE2 3.41Å; H730-F734 AromaticContact NE2-CZ 3.67Å; H730-F734 WeakPolarHBondContact O-CD2 3.45Å; H730-F734 WeakPolarHBondContact O-CE2 3.31Å; W731-F734 PolarHBondContact O-N 3.26Å; W731-F734 VanDerWaalsContact O-N 3.15Å; Q732-F734 VanDerWaalsContact C-N 3.32Å; F734-F736 HydrophobicContact CB-CD2 4.45Å; F734-F736 HydrophobicContact CB-CE2 3.73Å; F734-F736 HydrophobicContact CB-CZ 3.87Å
735	T	93.6	Very high	93.7	Very high	65 Å²	65	42.7 Å²	42.7	40%	0.399	22%	0.219	S	C	.	.			trans	-114	137.1	168.3	-56.8	0	0	0	0	108.5	L804 E806	T735-L804 CarbonylContact C-O 3.55Å; T735-L804 VanDerWaalsContact CA-O 3.29Å; T735-L804 WeakPolarHBondContact CA-O 3.29Å; T735-L804 WeakPolarHBondContact CG2-O 3.37Å; T735-E806 HydrophobicContact CG2-CB 4.14Å
736	F	94.2	Very high	93.6	Very high	3 Å²	3	42.3 Å²	42.3	1%	0.013	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-117	136.6	-169.5	-64.1	-99.8	0	0	0	111.6	Y672 W731 F734 L744 F777 L804 E806	Y672-F736 VanDerWaalsContact CB-CD1 3.46Å; Y672-F736 HydrophobicContact CD1-CD1 4.2Å; Y672-F736 AromaticContact CD1-CE1 3.71Å; Y672-F736 HydrophobicContact CD1-CE1 3.71Å; Y672-F736 AromaticContact CD2-CE1 3.7Å; Y672-F736 HydrophobicContact CD2-CE1 3.7Å; Y672-F736 AromaticContact CD2-CZ 3.98Å; Y672-F736 HydrophobicContact CD2-CZ 3.98Å; Y672-F736 HydrophobicContact CE1-CE1 4.32Å; Y672-F736 HydrophobicContact CE2-CE1 4.33Å; Y672-F736 HydrophobicContact CE2-CZ 4.5Å; Y672-F736 AromaticContact CG-CD1 3.83Å; Y672-F736 HydrophobicContact CG-CD1 3.83Å; Y672-F736 AromaticContact CG-CE1 3.35Å; Y672-F736 HydrophobicContact CG-CE1 3.35Å; Y672-F736 HydrophobicContact CG-CZ 4.1Å; Y672-F736 WeakPolarHBondContact O-CA 3.41Å; W731-F736 HydrophobicContact CB-CZ 4.18Å; W731-F736 WeakPolarHBondContact O-CE2 3.43Å; F734-F736 HydrophobicContact CB-CD2 4.45Å; F734-F736 HydrophobicContact CB-CE2 3.73Å; F734-F736 HydrophobicContact CB-CZ 3.87Å; F736-L744 HydrophobicContact CD1-CD2 4.37Å; F736-L744 HydrophobicContact CE1-CB 4.24Å; F736-L744 HydrophobicContact CE1-CD2 3.8Å; F736-L744 HydrophobicContact CE1-CG 4.47Å; F736-L744 HydrophobicContact CZ-CD2 4.35Å; F736-F777 HydrophobicContact CB-CB 3.99Å; F736-F777 HydrophobicContact CB-CD1 3.34Å; F736-F777 HydrophobicContact CB-CD2 4.2Å; F736-F777 HydrophobicContact CB-CE1 3.75Å; F736-F777 HydrophobicContact CB-CG 3.58Å; F736-F777 HydrophobicContact CB-CZ 4.3Å; F736-F777 AromaticContact CD1-CD2 3.91Å; F736-F777 HydrophobicContact CD1-CD2 3.91Å; F736-F777 HydrophobicContact CD1-CE2 4.03Å; F736-F777 HydrophobicContact CD1-CG 4.15Å; F736-F777 HydrophobicContact CD1-CZ 4.38Å; F736-F777 HydrophobicContact CD2-CD1 4.05Å; F736-F777 HydrophobicContact CD2-CD2 4.39Å; F736-F777 AromaticContact CD2-CE1 3.54Å; F736-F777 HydrophobicContact CD2-CE1 3.54Å; F736-F777 AromaticContact CD2-CE2 3.9Å; F736-F777 HydrophobicContact CD2-CE2 3.9Å; F736-F777 HydrophobicContact CD2-CG 4.43Å; F736-F777 AromaticContact CD2-CZ 3.43Å; F736-F777 HydrophobicContact CD2-CZ 3.43Å; F736-F777 VanDerWaalsContact CD2-CZ 3.43Å; F736-F777 HydrophobicContact CE1-CD2 4.44Å; F736-F777 HydrophobicContact CE1-CE2 4.23Å; F736-F777 HydrophobicContact CE2-CE1 4.34Å; F736-F777 HydrophobicContact CE2-CE2 4.09Å; F736-F777 AromaticContact CE2-CZ 3.78Å; F736-F777 HydrophobicContact CE2-CZ 3.78Å; F736-F777 AromaticContact CG-CD1 3.74Å; F736-F777 HydrophobicContact CG-CD1 3.74Å; F736-F777 AromaticContact CG-CD2 3.91Å; F736-F777 HydrophobicContact CG-CD2 3.91Å; F736-F777 AromaticContact CG-CE1 3.74Å; F736-F777 HydrophobicContact CG-CE1 3.74Å; F736-F777 AromaticContact CG-CE2 3.89Å; F736-F777 HydrophobicContact CG-CE2 3.89Å; F736-F777 AromaticContact CG-CG 3.81Å; F736-F777 HydrophobicContact CG-CG 3.81Å; F736-F777 AromaticContact CG-CZ 3.79Å; F736-F777 HydrophobicContact CG-CZ 3.79Å; F736-F777 HydrophobicContact CZ-CE2 4.26Å; F736-F777 HydrophobicContact CZ-CZ 4.41Å; F736-L804 HydrophobicContact CD2-CB 4.01Å; F736-L804 HydrophobicContact CE2-CB 4.38Å; F736-L804 HydrophobicContact CE2-CD1 4.31Å; F736-L804 PolarHBondContact N-O 3.15Å; F736-E806 WeakPolarHBondContact O-CB 3.46Å; F736-E806 PolarHBondContact O-N 2.76Å
737	N	90.8	Very high	93.6	Very high	16 Å²	16	41 Å²	41	9%	0.086	21%	0.206	C	C	.	.			trans	-106.6	170.2	163.2	74.4	2.7	0	0	0	110.6	Y672 S674 S739 G740 G741 E806	Y672-N737 PolarHBondContact O-N 3.31Å; S674-N737 PolarHBondContact O-ND2 3.39Å; N737-S739 VanDerWaalsContact C-N 3.27Å; N737-S739 PolarHBondContact O-N 2.92Å; N737-S739 PolarHBondContact OD1-N 3.41Å; N737-G740 CarbonylContact O-C 3.59Å; N737-G740 WeakPolarHBondContact O-CA 3.43Å; N737-G740 PolarHBondContact O-N 3.31Å; N737-G740 PolarHBondContact OD1-N 3.08Å; N737-G741 PolarHBondContact O-N 2.91Å; N737-E806 HydrophobicContact CB-CB 4.37Å; N737-E806 WeakPolarHBondContact CB-OE2 3.43Å
738	P	89.9	Confident	93.5	Very high	72 Å²	72	41.2 Å²	41.2	47%	0.468	21%	0.208	S	C	.	.	H	α-helix	trans	-54.3	-40.5	-177.3	-29.3	36.7	0	0	0	114.1	G741 L742 F777	P738-G741 PolarHBondContact O-N 2.82Å; P738-L742 PolarHBondContact O-N 3.48Å; P738-F777 WeakPolarHBondContact CA-O 3.38Å
739	S	89	Confident	93.6	Very high	56 Å²	56	44.4 Å²	44.4	39%	0.392	23%	0.225	S	C	.	.	H	α-helix	trans	-63.7	-42	175	-55.2	0	0	0	0	112.2	N737 G741 L742 R743	N737-S739 VanDerWaalsContact C-N 3.27Å; N737-S739 PolarHBondContact O-N 2.92Å; N737-S739 PolarHBondContact OD1-N 3.41Å; S739-G741 VanDerWaalsContact C-N 3.35Å; S739-L742 WeakPolarHBondContact O-CB 3.27Å; S739-L742 PolarHBondContact O-N 3.33Å; S739-R743 PolarHBondContact O-N 2.95Å
740	G	91.1	Very high	93.6	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-65.9	-34.3	173.1	0	0	0	0	0	113.7	Y672 N737 R743 L744	Y672-G740 WeakPolarHBondContact O-CA 3.44Å; N737-G740 CarbonylContact O-C 3.59Å; N737-G740 WeakPolarHBondContact O-CA 3.43Å; N737-G740 PolarHBondContact O-N 3.31Å; N737-G740 PolarHBondContact OD1-N 3.08Å; G740-R743 WeakPolarHBondContact O-CB 3.32Å; G740-R743 PolarHBondContact O-N 3.34Å; G740-L744 PolarHBondContact O-N 3.06Å
741	G	92.4	Very high	93.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-42.6	170.7	0	0	0	0	0	112.2	N737 P738 S739 R743 L744 K745	N737-G741 PolarHBondContact O-N 2.91Å; P738-G741 PolarHBondContact O-N 2.82Å; S739-G741 VanDerWaalsContact C-N 3.35Å; G741-R743 VanDerWaalsContact C-N 3.3Å; G741-R743 PolarHBondContact O-N 2.93Å; G741-L744 PolarHBondContact O-N 2.8Å; G741-K745 PolarHBondContact O-N 2.95Å
742	L	91.9	Very high	93.7	Very high	91 Å²	91	46.2 Å²	46.2	48%	0.476	23%	0.23	S	C	.	.	H	α-helix	trans	-63.4	-36.9	172.9	-69.7	172.2	0	0	0	111.9	P738 S739 K745 R746 I778	P738-L742 PolarHBondContact O-N 3.48Å; S739-L742 WeakPolarHBondContact O-CB 3.27Å; S739-L742 PolarHBondContact O-N 3.33Å; L742-K745 WeakPolarHBondContact O-CB 3.46Å; L742-K745 PolarHBondContact O-N 2.8Å; L742-R746 WeakPolarHBondContact O-CG 3.42Å; L742-R746 PolarHBondContact O-N 3.37Å; L742-I778 HydrophobicContact CD2-CD1 3.83Å; L742-I778 HydrophobicContact CD2-CG1 4.15Å; L742-I778 HydrophobicContact CD2-CG2 4.06Å; L742-I778 HydrophobicContact CG-CD1 4.36Å; L742-I778 HydrophobicContact CG-CG1 4.24Å; L742-I778 HydrophobicContact CG-CG2 4.45Å
743	R	92.2	Very high	93.7	Very high	40 Å²	40	45.2 Å²	45.2	15%	0.151	24%	0.239	C	C	.	.	H	α-helix	trans	-67.8	-45.4	176.3	-160.3	177.5	-169.6	134	8.7	112.2	D671 D682 R684 T686 S739 G740 G741 K745 R746 D747	D671-R743 WeakPolarHBondContact O-CD 3.21Å; D682-R743 IonicContact OD2-CZ 3.49Å; D682-R743 IonicContact OD2-NH1 3.44Å; D682-R743 PolarHBondContact OD2-NH1 2.97Å; D682-R743 IonicContact OD2-NH2 3.61Å; D682-R743 PolarHBondContact OD2-NH2 3.47Å; R684-R743 PolarHBondContact O-NH2 3.22Å; T686-R743 HydrophobicContact CG2-CG 4.07Å; S739-R743 PolarHBondContact O-N 2.95Å; G740-R743 WeakPolarHBondContact O-CB 3.32Å; G740-R743 PolarHBondContact O-N 3.34Å; G741-R743 VanDerWaalsContact C-N 3.3Å; G741-R743 PolarHBondContact O-N 2.93Å; R743-K745 VanDerWaalsContact C-N 3.25Å; R743-K745 PolarHBondContact O-N 3.16Å; R743-R746 WeakPolarHBondContact O-CA 3.49Å; R743-R746 WeakPolarHBondContact O-CB 3.16Å; R743-R746 PolarHBondContact O-N 3.22Å; R743-D747 PolarHBondContact O-N 2.98Å; R743-D747 VanDerWaalsContact O-N 3.11Å
744	L	94.5	Very high	93.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-56.6	-40.8	172.2	174.3	62.6	0	0	0	111.6	Y672 W731 F736 G740 G741 R746 D747 L748 A774 F777	Y672-L744 HydrophobicContact CD1-CB 4.15Å; Y672-L744 HydrophobicContact CE1-CB 3.98Å; Y672-L744 HydrophobicContact CE1-CD1 4.32Å; W731-L744 HydrophobicContact CD2-CD1 3.64Å; W731-L744 HydrophobicContact CE3-CD1 4.15Å; W731-L744 HydrophobicContact CG-CD1 4.13Å; W731-L744 HydrophobicContact CH2-CD1 4.04Å; W731-L744 HydrophobicContact CZ2-CD1 3.48Å; W731-L744 VanDerWaalsContact CZ2-CD1 3.48Å; W731-L744 HydrophobicContact CZ3-CD1 4.32Å; F736-L744 HydrophobicContact CD1-CD2 4.37Å; F736-L744 HydrophobicContact CE1-CB 4.24Å; F736-L744 HydrophobicContact CE1-CD2 3.8Å; F736-L744 HydrophobicContact CE1-CG 4.47Å; F736-L744 HydrophobicContact CZ-CD2 4.35Å; G740-L744 PolarHBondContact O-N 3.06Å; G741-L744 PolarHBondContact O-N 2.8Å; L744-R746 PolarHBondContact O-N 3.25Å; L744-D747 PolarHBondContact O-N 2.74Å; L744-L748 HydrophobicContact CD1-CG 4.5Å; L744-L748 HydrophobicContact CG-CD1 4.23Å; L744-L748 WeakPolarHBondContact O-CB 3.16Å; L744-L748 PolarHBondContact O-N 3.21Å; L744-A774 HydrophobicContact CD2-CB 4.11Å; L744-A774 HydrophobicContact CG-CB 4.15Å; L744-F777 HydrophobicContact CD2-CD2 3.8Å; L744-F777 HydrophobicContact CD2-CE2 3.76Å
745	K	93.9	Very high	93.8	Very high	77 Å²	77	39.2 Å²	39.2	34%	0.335	21%	0.213	S	C	.	.	H	α-helix	trans	-62.3	-29.2	176	-168.5	167.9	-175.8	166.9	0	112.7	G741 L742 R743 N749 A774 N775 I778	G741-K745 PolarHBondContact O-N 2.95Å; L742-K745 WeakPolarHBondContact O-CB 3.46Å; L742-K745 PolarHBondContact O-N 2.8Å; R743-K745 VanDerWaalsContact C-N 3.25Å; R743-K745 PolarHBondContact O-N 3.16Å; K745-N749 PolarHBondContact O-N 3.2Å; K745-N749 PolarHBondContact O-ND2 3.43Å; K745-N749 PolarHBondContact O-OD1 3.33Å; K745-A774 HydrophobicContact CB-CB 4.13Å; K745-N775 PolarHBondContact NZ-OD1 3.21Å; K745-I778 HydrophobicContact CB-CD1 4.28Å; K745-I778 HydrophobicContact CD-CD1 3.8Å
746	R	93.4	Very high	93.9	Very high	131 Å²	131	42.2 Å²	42.2	49%	0.494	22%	0.22	S	C	.	.	H	α-helix	trans	-72.9	-45.7	173.5	-64.1	-69.6	159.4	-167.7	-1.8	111.3	L742 R743 L744 L748 N749 E750	L742-R746 WeakPolarHBondContact O-CG 3.42Å; L742-R746 PolarHBondContact O-N 3.37Å; R743-R746 WeakPolarHBondContact O-CA 3.49Å; R743-R746 WeakPolarHBondContact O-CB 3.16Å; R743-R746 PolarHBondContact O-N 3.22Å; L744-R746 PolarHBondContact O-N 3.25Å; R746-L748 VanDerWaalsContact C-N 3.27Å; R746-L748 PolarHBondContact O-N 3.24Å; R746-N749 WeakPolarHBondContact O-CB 3.28Å; R746-N749 PolarHBondContact O-N 3.45Å; R746-E750 PolarHBondContact O-N 3.37Å
747	D	96.1	Very high	93.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.8	-43.5	174.8	-69.3	0.2	0	0	0	111.3	Y672 P685 T686 C689 R743 L744 N749 E750 Y751	Y672-D747 PolarHBondContact OH-OD2 3.19Å; P685-D747 WeakPolarHBondContact CA-OD1 3.34Å; P685-D747 WeakPolarHBondContact CB-OD1 3.34Å; T686-D747 WeakPolarHBondContact CB-OD2 3.49Å; T686-D747 WeakPolarHBondContact CG2-OD2 3.48Å; T686-D747 PolarHBondContact N-OD1 3.07Å; T686-D747 PolarHBondContact OG1-OD2 3.35Å; C689-D747 HydrophobicContact CB-CB 3.87Å; C689-D747 VanDerWaalsContact CB-CG 3.45Å; R743-D747 PolarHBondContact O-N 2.98Å; R743-D747 VanDerWaalsContact O-N 3.11Å; L744-D747 PolarHBondContact O-N 2.74Å; D747-N749 VanDerWaalsContact C-N 3.31Å; D747-N749 PolarHBondContact O-N 3.24Å; D747-E750 WeakPolarHBondContact O-CB 3.47Å; D747-E750 PolarHBondContact O-N 3.19Å; D747-E750 VanDerWaalsContact O-N 3.13Å; D747-Y751 HydrophobicContact CB-CD2 4.5Å; D747-Y751 HydrophobicContact CB-CE2 4.22Å; D747-Y751 WeakPolarHBondContact O-CD2 3.5Å; D747-Y751 PolarHBondContact O-N 2.87Å
748	L	96.1	Very high	94.1	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-59.7	-38.5	174.5	-83.4	168.2	0	0	0	113.3	W731 L744 R746 E750 Y751 V752 L770 A774	W731-L748 HydrophobicContact CH2-CD2 3.4Å; W731-L748 HydrophobicContact CH2-CG 3.84Å; W731-L748 HydrophobicContact CZ2-CD2 4.38Å; W731-L748 HydrophobicContact CZ2-CG 4.46Å; W731-L748 HydrophobicContact CZ3-CD2 3.92Å; W731-L748 HydrophobicContact CZ3-CG 4.44Å; L744-L748 HydrophobicContact CD1-CG 4.5Å; L744-L748 HydrophobicContact CG-CD1 4.23Å; L744-L748 WeakPolarHBondContact O-CB 3.16Å; L744-L748 PolarHBondContact O-N 3.21Å; R746-L748 VanDerWaalsContact C-N 3.27Å; R746-L748 PolarHBondContact O-N 3.24Å; L748-E750 VanDerWaalsContact C-N 3.29Å; L748-E750 PolarHBondContact O-N 3.04Å; L748-Y751 PolarHBondContact O-N 2.85Å; L748-V752 VanDerWaalsContact O-CB 3.26Å; L748-V752 WeakPolarHBondContact O-CB 3.46Å; L748-V752 WeakPolarHBondContact O-CG2 3.44Å; L748-V752 PolarHBondContact O-N 3.39Å; L748-L770 HydrophobicContact CD1-CB 4.35Å; L748-L770 WeakPolarHBondContact CD1-O 3.45Å; L748-L770 HydrophobicContact CD2-CB 3.53Å; L748-L770 HydrophobicContact CD2-CD1 3.92Å; L748-L770 HydrophobicContact CD2-CG 4.39Å; L748-A774 HydrophobicContact CD1-CB 3.5Å
749	N	95.2	Very high	94.2	Very high	78 Å²	78	43.9 Å²	43.9	42%	0.417	24%	0.242	S	C	.	.	H	α-helix	trans	-64.3	-36.7	176.6	-68.8	-27.8	0	0	0	111.7	K745 R746 D747 G753	K745-N749 PolarHBondContact O-N 3.2Å; K745-N749 PolarHBondContact O-ND2 3.43Å; K745-N749 PolarHBondContact O-OD1 3.33Å; R746-N749 WeakPolarHBondContact O-CB 3.28Å; R746-N749 PolarHBondContact O-N 3.45Å; D747-N749 VanDerWaalsContact C-N 3.31Å; D747-N749 PolarHBondContact O-N 3.24Å; N749-G753 PolarHBondContact O-N 3.27Å
750	E	96.4	Very high	94.4	Very high	90 Å²	90	41.2 Å²	41.2	42%	0.421	22%	0.223	S	C	.	.	H	α-helix	trans	-67	-46.3	174.5	-61.6	-60.5	148.7	0	0	111	P685 V693 R746 D747 L748 G753 F754	P685-E750 HydrophobicContact CB-CG 4Å; P685-E750 HydrophobicContact CG-CG 3.57Å; V693-E750 HydrophobicContact CG2-CB 4.27Å; R746-E750 PolarHBondContact O-N 3.37Å; D747-E750 WeakPolarHBondContact O-CB 3.47Å; D747-E750 PolarHBondContact O-N 3.19Å; D747-E750 VanDerWaalsContact O-N 3.13Å; L748-E750 VanDerWaalsContact C-N 3.29Å; L748-E750 PolarHBondContact O-N 3.04Å; E750-G753 PolarHBondContact O-N 3.47Å; E750-F754 WeakPolarHBondContact O-CB 3.18Å; E750-F754 PolarHBondContact O-N 2.99Å
751	Y	97.3	Very high	94.6	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.5	-45.9	176.7	-69.1	-53.2	0	0	0	112.6	C689 V692 V693 L727 W731 D747 L748 G753 F754 V755	C689-Y751 WeakPolarHBondContact CA-OH 3.25Å; C689-Y751 HydrophobicContact CB-CE2 4.36Å; V692-Y751 HydrophobicContact CB-CE1 4.12Å; V692-Y751 HydrophobicContact CG1-CE1 3.69Å; V693-Y751 HydrophobicContact CG2-CD1 3.86Å; V693-Y751 HydrophobicContact CG2-CE1 3.97Å; L727-Y751 HydrophobicContact CD1-CD1 4.33Å; L727-Y751 HydrophobicContact CD1-CD2 3.94Å; L727-Y751 HydrophobicContact CD1-CE2 4.16Å; L727-Y751 HydrophobicContact CD1-CG 4.03Å; L727-Y751 HydrophobicContact CD2-CD2 4.35Å; L727-Y751 HydrophobicContact CD2-CE1 4.29Å; L727-Y751 HydrophobicContact CD2-CE2 3.73Å; W731-Y751 HydrophobicContact CH2-CD2 4.48Å; W731-Y751 HydrophobicContact CZ2-CD2 4.22Å; W731-Y751 AromaticContact CZ2-CE2 3.98Å; W731-Y751 HydrophobicContact CZ2-CE2 3.98Å; D747-Y751 HydrophobicContact CB-CD2 4.5Å; D747-Y751 HydrophobicContact CB-CE2 4.22Å; D747-Y751 WeakPolarHBondContact O-CD2 3.5Å; D747-Y751 PolarHBondContact O-N 2.87Å; L748-Y751 PolarHBondContact O-N 2.85Å; Y751-G753 VanDerWaalsContact C-N 3.33Å; Y751-F754 PolarHBondContact O-N 3.44Å; Y751-V755 WeakPolarHBondContact O-CB 3.31Å; Y751-V755 VanDerWaalsContact O-CG2 3.26Å; Y751-V755 WeakPolarHBondContact O-CG2 3.37Å; Y751-V755 PolarHBondContact O-N 3.3Å
752	V	96.1	Very high	94.6	Very high	28 Å²	28	47.8 Å²	47.8	17%	0.17	27%	0.267	C	S	.	.	H	α-helix	trans	-60.5	-45	174.8	169.8	0	0	0	0	110.1	L748 F754 V755 K756 F767	L748-V752 VanDerWaalsContact O-CB 3.26Å; L748-V752 WeakPolarHBondContact O-CB 3.46Å; L748-V752 WeakPolarHBondContact O-CG2 3.44Å; L748-V752 PolarHBondContact O-N 3.39Å; V752-F754 VanDerWaalsContact C-N 3.28Å; V752-F754 PolarHBondContact O-N 3.37Å; V752-V755 PolarHBondContact O-N 3.03Å; V752-K756 HydrophobicContact CG1-CD 4.29Å; V752-K756 HydrophobicContact CG1-CG 4.5Å; V752-K756 VanDerWaalsContact O-CG 3.27Å; V752-K756 WeakPolarHBondContact O-CG 3.43Å; V752-K756 PolarHBondContact O-N 2.96Å; V752-F767 HydrophobicContact CG2-CB 3.94Å; V752-F767 HydrophobicContact CG2-CD1 4.29Å
753	G	94.9	Very high	94.8	Very high	50 Å²	50	43.4 Å²	43.4	52%	0.515	24%	0.244	S	C	.	.	H	α-helix	trans	-58	-42.2	177.7	0	0	0	0	0	112.1	N749 E750 Y751	N749-G753 PolarHBondContact O-N 3.27Å; E750-G753 PolarHBondContact O-N 3.47Å; Y751-G753 VanDerWaalsContact C-N 3.33Å
754	F	95.3	Very high	95	Very high	21 Å²	21	43.4 Å²	43.4	9%	0.092	25%	0.247	C	C	.	.	H	α-helix	trans	-68.3	-51.6	175.2	-179.8	-105.7	0	0	0	112.6	V693 L696 S697 L700 E750 Y751 V752 K756 S757 F758	V693-F754 HydrophobicContact CG1-CB 4.23Å; V693-F754 HydrophobicContact CG1-CD2 4.37Å; V693-F754 HydrophobicContact CG1-CG 4.43Å; L696-F754 HydrophobicContact CB-CD1 4.29Å; L696-F754 HydrophobicContact CB-CE1 3.52Å; L696-F754 HydrophobicContact CB-CE2 4.36Å; L696-F754 HydrophobicContact CB-CZ 3.57Å; L696-F754 HydrophobicContact CD1-CD1 4.19Å; L696-F754 HydrophobicContact CD1-CE1 3.92Å; L696-F754 HydrophobicContact CG-CE1 4.31Å; S697-F754 WeakPolarHBondContact OG-CD2 3.33Å; S697-F754 VanDerWaalsContact OG-CE2 3.23Å; S697-F754 WeakPolarHBondContact OG-CE2 3.46Å; L700-F754 HydrophobicContact CD1-CE1 4.08Å; L700-F754 HydrophobicContact CD1-CZ 3.89Å; E750-F754 WeakPolarHBondContact O-CB 3.18Å; E750-F754 PolarHBondContact O-N 2.99Å; Y751-F754 PolarHBondContact O-N 3.44Å; V752-F754 VanDerWaalsContact C-N 3.28Å; V752-F754 PolarHBondContact O-N 3.37Å; F754-K756 PolarHBondContact O-N 3.24Å; F754-S757 VanDerWaalsContact O-CB 3.28Å; F754-S757 WeakPolarHBondContact O-CB 3.22Å; F754-S757 PolarHBondContact O-N 3.23Å; F754-S757 PolarHBondContact O-OG 3.11Å; F754-F758 HydrophobicContact CD1-CE1 4.32Å; F754-F758 HydrophobicContact CD1-CZ 4.5Å; F754-F758 AromaticContact CE1-CE1 3.62Å; F754-F758 HydrophobicContact CE1-CE1 3.62Å; F754-F758 AromaticContact CE1-CZ 3.8Å; F754-F758 HydrophobicContact CE1-CZ 3.8Å; F754-F758 HydrophobicContact CZ-CE1 4.01Å
755	V	96.4	Very high	94.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.4	-27.9	-174.5	167.6	0	0	0	0	112.5	L723 Y751 V752 S757 F758 V763 F767	L723-V755 HydrophobicContact CD2-CG2 4.01Å; Y751-V755 WeakPolarHBondContact O-CB 3.31Å; Y751-V755 VanDerWaalsContact O-CG2 3.26Å; Y751-V755 WeakPolarHBondContact O-CG2 3.37Å; Y751-V755 PolarHBondContact O-N 3.3Å; V752-V755 PolarHBondContact O-N 3.03Å; V755-S757 PolarHBondContact O-N 2.86Å; V755-S757 VanDerWaalsContact O-N 3.07Å; V755-F758 HydrophobicContact CG1-CD2 4.41Å; V755-F758 WeakPolarHBondContact O-CB 3.5Å; V755-F758 WeakPolarHBondContact O-CG 3.29Å; V755-F758 PolarHBondContact O-N 2.75Å; V755-V763 HydrophobicContact CG1-CB 4.41Å; V755-V763 HydrophobicContact CG1-CG1 3.46Å; V755-V763 VanDerWaalsContact CG1-CG1 3.46Å; V755-F767 HydrophobicContact CG1-CD2 3.93Å; V755-F767 HydrophobicContact CG1-CE2 4.06Å; V755-F767 HydrophobicContact CG1-CG 4.4Å; V755-F767 HydrophobicContact CG2-CD1 4.47Å; V755-F767 HydrophobicContact CG2-CD2 4.39Å; V755-F767 HydrophobicContact CG2-CE1 4.05Å; V755-F767 HydrophobicContact CG2-CE2 3.93Å; V755-F767 HydrophobicContact CG2-CZ 3.76Å
756	K	95	Very high	94.8	Very high	128 Å²	128	49.3 Å²	49.3	56%	0.557	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-55	-27	171.5	-81.7	175.9	177	-174.7	0	113.6	V752 F754 F758 G759	V752-K756 HydrophobicContact CG1-CD 4.29Å; V752-K756 HydrophobicContact CG1-CG 4.5Å; V752-K756 VanDerWaalsContact O-CG 3.27Å; V752-K756 WeakPolarHBondContact O-CG 3.43Å; V752-K756 PolarHBondContact O-N 2.96Å; F754-K756 PolarHBondContact O-N 3.24Å; K756-F758 PolarHBondContact O-N 3.32Å; K756-G759 PolarHBondContact O-N 3.4Å
757	S	93.8	Very high	94.9	Very high	63 Å²	63	43.2 Å²	43.2	44%	0.441	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-65.3	-15	174.1	70.1	0	0	0	0	113.5	F754 V755 G759	F754-S757 VanDerWaalsContact O-CB 3.28Å; F754-S757 WeakPolarHBondContact O-CB 3.22Å; F754-S757 PolarHBondContact O-N 3.23Å; F754-S757 PolarHBondContact O-OG 3.11Å; V755-S757 PolarHBondContact O-N 2.86Å; V755-S757 VanDerWaalsContact O-N 3.07Å; S757-G759 VanDerWaalsContact C-N 3.33Å
758	F	94.8	Very high	94.6	Very high	10 Å²	10	49.5 Å²	49.5	4%	0.044	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-75.9	-23.3	-178.4	-69.5	10.8	0	0	0	112.5	L700 F704 L716 L719 F754 V755 K756 A760	L700-F758 HydrophobicContact CD1-CE1 3.91Å; L700-F758 HydrophobicContact CD1-CZ 3.77Å; F704-F758 AromaticContact CZ-CD1 3.92Å; F704-F758 HydrophobicContact CZ-CD1 3.92Å; F704-F758 HydrophobicContact CZ-CE1 4.13Å; L716-F758 HydrophobicContact CB-CB 3.98Å; L716-F758 HydrophobicContact CB-CD2 4.03Å; L716-F758 HydrophobicContact CB-CG 3.98Å; L716-F758 HydrophobicContact CD1-CB 4.45Å; L716-F758 HydrophobicContact CD2-CD1 4.07Å; L716-F758 HydrophobicContact CD2-CE1 4.15Å; L716-F758 HydrophobicContact CD2-CG 4.26Å; L716-F758 HydrophobicContact CD2-CZ 4.4Å; L716-F758 VanDerWaalsContact O-CD2 3.23Å; L716-F758 WeakPolarHBondContact O-CD2 3.41Å; L719-F758 HydrophobicContact CB-CE2 4.41Å; L719-F758 HydrophobicContact CD2-CE2 4.11Å; L719-F758 HydrophobicContact CD2-CZ 3.86Å; L719-F758 HydrophobicContact CG-CE2 4.33Å; L719-F758 HydrophobicContact CG-CZ 4.47Å; F754-F758 HydrophobicContact CD1-CE1 4.32Å; F754-F758 HydrophobicContact CD1-CZ 4.5Å; F754-F758 AromaticContact CE1-CE1 3.62Å; F754-F758 HydrophobicContact CE1-CE1 3.62Å; F754-F758 AromaticContact CE1-CZ 3.8Å; F754-F758 HydrophobicContact CE1-CZ 3.8Å; F754-F758 HydrophobicContact CZ-CE1 4.01Å; V755-F758 HydrophobicContact CG1-CD2 4.41Å; V755-F758 WeakPolarHBondContact O-CB 3.5Å; V755-F758 WeakPolarHBondContact O-CG 3.29Å; V755-F758 PolarHBondContact O-N 2.75Å; K756-F758 PolarHBondContact O-N 3.32Å; F758-A760 VanDerWaalsContact C-N 3.27Å; F758-A760 HydrophobicContact CB-CB 4.24Å; F758-A760 PolarHBondContact O-N 3.08Å
759	G	92.4	Very high	94.3	Very high	52 Å²	52	51.5 Å²	51.5	54%	0.536	29%	0.292	S	S	.	.			trans	59.9	37.5	-175.3	0	0	0	0	0	112.6	K756 S757 P761	K756-G759 PolarHBondContact O-N 3.4Å; S757-G759 VanDerWaalsContact C-N 3.33Å; G759-P761 WeakPolarHBondContact O-CD 3.37Å
760	A	94.4	Very high	94.1	Very high	1 Å²	1	48 Å²	48	1%	0.008	27%	0.273	C	S	.	.			trans	-118.2	92.2	-175	0	0	0	0	0	110.4	F758 S762 V763 D764	F758-A760 VanDerWaalsContact C-N 3.27Å; F758-A760 HydrophobicContact CB-CB 4.24Å; F758-A760 PolarHBondContact O-N 3.08Å; A760-S762 VanDerWaalsContact C-N 3.28Å; A760-S762 PolarHBondContact O-N 3.13Å; A760-S762 VanDerWaalsContact O-N 3.15Å; A760-V763 HydrophobicContact CB-CB 4.06Å; A760-V763 HydrophobicContact CB-CG2 3.83Å; A760-V763 WeakPolarHBondContact O-CA 3.36Å; A760-V763 WeakPolarHBondContact O-CB 3.46Å; A760-V763 PolarHBondContact O-N 3.49Å; A760-D764 PolarHBondContact O-N 3.39Å
761	P	93.9	Very high	93.8	Very high	81 Å²	81	44.8 Å²	44.8	53%	0.526	26%	0.264	S	S	.	.	H	α-helix	trans	-56.5	-37.7	-171.9	-28	34.8	0	0	0	114.3	G759 V763 D764 E765	G759-P761 WeakPolarHBondContact O-CD 3.37Å; P761-V763 PolarHBondContact O-N 3.26Å; P761-D764 PolarHBondContact O-N 3.34Å; P761-E765 WeakPolarHBondContact O-CG 3.22Å; P761-E765 PolarHBondContact O-N 3.33Å
762	S	93.6	Very high	93.4	Very high	57 Å²	57	46.2 Å²	46.2	40%	0.399	27%	0.271	S	S	.	.	H	α-helix	trans	-67.7	-24.6	178.3	59.7	0	0	0	0	113.4	A760 K766	A760-S762 VanDerWaalsContact C-N 3.28Å; A760-S762 PolarHBondContact O-N 3.13Å; A760-S762 VanDerWaalsContact O-N 3.15Å; S762-K766 WeakPolarHBondContact O-CG 3.3Å
763	V	96.2	Very high	93	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-80.6	-43.9	172	-178	0	0	0	0	109.3	T717 V755 A760 P761 E765 K766 F767	T717-V763 HydrophobicContact CG2-CG2 4.12Å; T717-V763 WeakPolarHBondContact O-CG2 2.86Å; V755-V763 HydrophobicContact CG1-CB 4.41Å; V755-V763 HydrophobicContact CG1-CG1 3.46Å; V755-V763 VanDerWaalsContact CG1-CG1 3.46Å; A760-V763 HydrophobicContact CB-CB 4.06Å; A760-V763 HydrophobicContact CB-CG2 3.83Å; A760-V763 WeakPolarHBondContact O-CA 3.36Å; A760-V763 WeakPolarHBondContact O-CB 3.46Å; A760-V763 PolarHBondContact O-N 3.49Å; P761-V763 PolarHBondContact O-N 3.26Å; V763-E765 VanDerWaalsContact C-N 3.33Å; V763-E765 PolarHBondContact O-N 3.04Å; V763-K766 WeakPolarHBondContact O-CB 3.01Å; V763-K766 PolarHBondContact O-N 3.12Å; V763-F767 HydrophobicContact CG1-CD2 3.7Å; V763-F767 HydrophobicContact CG1-CE2 3.73Å; V763-F767 WeakPolarHBondContact O-CD2 3.47Å; V763-F767 PolarHBondContact O-N 2.81Å
764	D	94.7	Very high	92.9	Very high	40 Å²	40	42.6 Å²	42.6	21%	0.214	24%	0.239	C	C	.	.	H	α-helix	trans	-55.6	-47.9	177.9	-65	-34.7	0	0	0	111.4	A760 P761 K766 F767 E768	A760-D764 PolarHBondContact O-N 3.39Å; P761-D764 PolarHBondContact O-N 3.34Å; D764-K766 VanDerWaalsContact C-N 3.3Å; D764-K766 PolarHBondContact O-N 3.28Å; D764-F767 PolarHBondContact O-N 2.91Å; D764-F767 VanDerWaalsContact O-N 3.13Å; D764-E768 WeakPolarHBondContact O-CG 3.36Å; D764-E768 PolarHBondContact O-N 2.95Å
765	E	92.7	Very high	92.8	Very high	126 Å²	126	43.4 Å²	43.4	59%	0.589	25%	0.245	S	C	*	.	H	α-helix	trans	-55.8	-42.6	175.5	-74.7	176	-172.1	0	0	112.2	P761 V763 E768 L769	P761-E765 WeakPolarHBondContact O-CG 3.22Å; P761-E765 PolarHBondContact O-N 3.33Å; V763-E765 VanDerWaalsContact C-N 3.33Å; V763-E765 PolarHBondContact O-N 3.04Å; E765-E768 PolarHBondContact O-N 3.17Å; E765-L769 VanDerWaalsContact O-CG 3.31Å; E765-L769 WeakPolarHBondContact O-CG 3.12Å; E765-L769 PolarHBondContact O-N 3.5Å
766	K	92.5	Very high	92.5	Very high	74 Å²	74	43.4 Å²	43.4	32%	0.322	25%	0.245	S	C	.	.	H	α-helix	trans	-65.9	-41.8	177.8	-71.6	177	-179.7	-176.8	0	111.8	N721 E724 S762 V763 D764 E768 L769 L770	N721-K766 PolarHBondContact OD1-NZ 3.26Å; E724-K766 HydrophobicContact CG-CB 4.18Å; S762-K766 WeakPolarHBondContact O-CG 3.3Å; V763-K766 WeakPolarHBondContact O-CB 3.01Å; V763-K766 PolarHBondContact O-N 3.12Å; D764-K766 VanDerWaalsContact C-N 3.3Å; D764-K766 PolarHBondContact O-N 3.28Å; K766-E768 VanDerWaalsContact C-N 3.33Å; K766-L769 WeakPolarHBondContact O-CB 3.49Å; K766-L769 PolarHBondContact O-N 2.74Å; K766-L770 WeakPolarHBondContact O-CG 3.45Å; K766-L770 PolarHBondContact O-N 2.76Å
767	F	94.4	Very high	92.4	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.013	22%	0.218	C	C	.	.	H	α-helix	trans	-68.9	-31.8	177.1	-87.8	-94.3	0	0	0	112.4	L723 E724 L727 V752 V755 V763 D764 L770 G771	L723-F767 HydrophobicContact CB-CZ 4.42Å; L723-F767 HydrophobicContact CD2-CZ 3.99Å; L723-F767 HydrophobicContact CG-CZ 4.03Å; E724-F767 HydrophobicContact CB-CD2 4.38Å; E724-F767 HydrophobicContact CB-CE2 3.76Å; E724-F767 HydrophobicContact CB-CZ 4.12Å; L727-F767 HydrophobicContact CD1-CE1 3.84Å; L727-F767 HydrophobicContact CD1-CZ 4.15Å; V752-F767 HydrophobicContact CG2-CB 3.94Å; V752-F767 HydrophobicContact CG2-CD1 4.29Å; V755-F767 HydrophobicContact CG1-CD2 3.93Å; V755-F767 HydrophobicContact CG1-CE2 4.06Å; V755-F767 HydrophobicContact CG1-CG 4.4Å; V755-F767 HydrophobicContact CG2-CD1 4.47Å; V755-F767 HydrophobicContact CG2-CD2 4.39Å; V755-F767 HydrophobicContact CG2-CE1 4.05Å; V755-F767 HydrophobicContact CG2-CE2 3.93Å; V755-F767 HydrophobicContact CG2-CZ 3.76Å; V763-F767 HydrophobicContact CG1-CD2 3.7Å; V763-F767 HydrophobicContact CG1-CE2 3.73Å; V763-F767 WeakPolarHBondContact O-CD2 3.47Å; V763-F767 PolarHBondContact O-N 2.81Å; D764-F767 PolarHBondContact O-N 2.91Å; D764-F767 VanDerWaalsContact O-N 3.13Å; F767-L770 HydrophobicContact CD1-CD1 3.89Å; F767-L770 HydrophobicContact CE1-CD1 4.09Å; F767-L770 HydrophobicContact CG-CD1 4.28Å; F767-L770 WeakPolarHBondContact O-CB 3.48Å; F767-L770 PolarHBondContact O-N 2.79Å; F767-G771 PolarHBondContact O-N 2.77Å
768	E	90	Very high	92.3	Very high	133 Å²	133	36.6 Å²	36.6	62%	0.621	21%	0.209	S	C	*	.	H	α-helix	trans	-63.7	-41.8	169.3	-72.8	-176.1	172.8	0	0	111.7	D764 E765 K766 L770 G771	D764-E768 WeakPolarHBondContact O-CG 3.36Å; D764-E768 PolarHBondContact O-N 2.95Å; E765-E768 PolarHBondContact O-N 3.17Å; K766-E768 VanDerWaalsContact C-N 3.33Å; E768-L770 VanDerWaalsContact C-N 3.3Å; E768-L770 PolarHBondContact O-N 2.61Å; E768-G771 WeakPolarHBondContact O-CA 3.47Å; E768-G771 PolarHBondContact O-N 2.76Å
769	L	89.5	Confident	92.1	Very high	46 Å²	46	37.7 Å²	37.7	24%	0.241	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-36.5	173.5	-69.7	176.1	0	0	0	111.8	E765 K766 G771 I772 I773 I794	E765-L769 VanDerWaalsContact O-CG 3.31Å; E765-L769 WeakPolarHBondContact O-CG 3.12Å; E765-L769 PolarHBondContact O-N 3.5Å; K766-L769 WeakPolarHBondContact O-CB 3.49Å; K766-L769 PolarHBondContact O-N 2.74Å; L769-G771 PolarHBondContact O-N 3.4Å; L769-I772 HydrophobicContact CD2-CD1 3.89Å; L769-I772 WeakPolarHBondContact O-CA 3.22Å; L769-I772 VanDerWaalsContact O-CB 3.3Å; L769-I772 WeakPolarHBondContact O-CB 3.35Å; L769-I772 PolarHBondContact O-N 2.85Å; L769-I773 PolarHBondContact O-N 3.27Å; L769-I794 HydrophobicContact CB-CD1 3.79Å; L769-I794 HydrophobicContact CD2-CD1 4.49Å; L769-I794 WeakPolarHBondContact O-CD1 3.37Å
770	L	91.7	Very high	92	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-60	-28.5	172.1	-60.3	-179.9	0	0	0	112.5	E724 L728 W731 L748 K766 F767 E768 I772 I773 A774	E724-L770 HydrophobicContact CG-CD1 4.08Å; E724-L770 HydrophobicContact CG-CD2 4.38Å; E724-L770 HydrophobicContact CG-CG 4.41Å; L728-L770 HydrophobicContact CD1-CD2 4.13Å; L728-L770 HydrophobicContact CD2-CD2 3.41Å; L728-L770 VanDerWaalsContact CD2-CD2 3.41Å; L728-L770 HydrophobicContact CG-CD2 3.67Å; W731-L770 HydrophobicContact CH2-CD1 4.44Å; W731-L770 HydrophobicContact CZ3-CD1 4.13Å; L748-L770 HydrophobicContact CD1-CB 4.35Å; L748-L770 WeakPolarHBondContact CD1-O 3.45Å; L748-L770 HydrophobicContact CD2-CB 3.53Å; L748-L770 HydrophobicContact CD2-CD1 3.92Å; L748-L770 HydrophobicContact CD2-CG 4.39Å; K766-L770 WeakPolarHBondContact O-CG 3.45Å; K766-L770 PolarHBondContact O-N 2.76Å; F767-L770 HydrophobicContact CD1-CD1 3.89Å; F767-L770 HydrophobicContact CE1-CD1 4.09Å; F767-L770 HydrophobicContact CG-CD1 4.28Å; F767-L770 WeakPolarHBondContact O-CB 3.48Å; F767-L770 PolarHBondContact O-N 2.79Å; E768-L770 VanDerWaalsContact C-N 3.3Å; E768-L770 PolarHBondContact O-N 2.61Å; L770-I772 VanDerWaalsContact C-N 3.27Å; L770-I772 PolarHBondContact O-N 3.24Å; L770-I773 WeakPolarHBondContact O-CA 3.48Å; L770-I773 WeakPolarHBondContact O-CB 3.48Å; L770-I773 PolarHBondContact O-N 2.58Å; L770-I773 VanDerWaalsContact O-N 3.12Å; L770-A774 PolarHBondContact O-N 3.3Å
771	G	90.2	Very high	91.6	Very high	23 Å²	23	39 Å²	39	24%	0.237	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-35.5	171.2	0	0	0	0	0	113.1	F767 E768 L769 A774 N775	F767-G771 PolarHBondContact O-N 2.77Å; E768-G771 WeakPolarHBondContact O-CA 3.47Å; E768-G771 PolarHBondContact O-N 2.76Å; L769-G771 PolarHBondContact O-N 3.4Å; G771-A774 PolarHBondContact O-N 2.77Å; G771-N775 PolarHBondContact O-N 3.37Å; G771-N775 PolarHBondContact O-ND2 3.46Å
772	I	88.5	Confident	91.3	Very high	30 Å²	30	40.8 Å²	40.8	15%	0.154	23%	0.225	C	C	.	.	H	α-helix	trans	-67.4	-41.7	173.1	-55.1	177.5	0	0	0	109.9	L769 L770 A774 N775 V776 F788 S791 I794	L769-I772 HydrophobicContact CD2-CD1 3.89Å; L769-I772 WeakPolarHBondContact O-CA 3.22Å; L769-I772 VanDerWaalsContact O-CB 3.3Å; L769-I772 WeakPolarHBondContact O-CB 3.35Å; L769-I772 PolarHBondContact O-N 2.85Å; L770-I772 VanDerWaalsContact C-N 3.27Å; L770-I772 PolarHBondContact O-N 3.24Å; I772-A774 VanDerWaalsContact C-N 3.31Å; I772-A774 PolarHBondContact O-N 3.2Å; I772-N775 WeakPolarHBondContact O-CB 3.09Å; I772-N775 PolarHBondContact O-N 3.03Å; I772-N775 VanDerWaalsContact O-N 3.12Å; I772-V776 PolarHBondContact O-N 3.47Å; I772-F788 HydrophobicContact CG2-CD1 4.47Å; I772-F788 HydrophobicContact CG2-CE1 4.37Å; I772-S791 VanDerWaalsContact CD1-OG 3.32Å; I772-S791 WeakPolarHBondContact CD1-OG 3.48Å; I772-I794 HydrophobicContact CB-CD1 4.12Å
773	I	89.1	Confident	91	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-58.4	-41.4	174.6	-65.2	-62.5	0	0	0	111.4	L769 L770 N775 V776 F777 I794 D797 A798 F801	L769-I773 PolarHBondContact O-N 3.27Å; L770-I773 WeakPolarHBondContact O-CA 3.48Å; L770-I773 WeakPolarHBondContact O-CB 3.48Å; L770-I773 PolarHBondContact O-N 2.58Å; L770-I773 VanDerWaalsContact O-N 3.12Å; I773-N775 VanDerWaalsContact C-N 3.32Å; I773-N775 PolarHBondContact O-N 3.37Å; I773-V776 WeakPolarHBondContact O-CB 3.35Å; I773-V776 WeakPolarHBondContact O-CG2 3.38Å; I773-V776 PolarHBondContact O-N 2.86Å; I773-V776 VanDerWaalsContact O-N 3.16Å; I773-F777 HydrophobicContact CG2-CE2 4.46Å; I773-I794 HydrophobicContact CD1-CD1 3.7Å; I773-I794 HydrophobicContact CD1-CG1 3.83Å; I773-I794 HydrophobicContact CG1-CD1 3.55Å; I773-I794 HydrophobicContact CG1-CG1 4.13Å; I773-D797 HydrophobicContact CD1-CB 4.34Å; I773-A798 HydrophobicContact CD1-CB 4.23Å; I773-F801 HydrophobicContact CD1-CG 4.47Å; I773-F801 HydrophobicContact CG2-CB 4.11Å; I773-F801 HydrophobicContact CG2-CD1 3.17Å; I773-F801 HydrophobicContact CG2-CD2 4.3Å; I773-F801 HydrophobicContact CG2-CE1 3.55Å; I773-F801 HydrophobicContact CG2-CG 3.61Å; I773-F801 HydrophobicContact CG2-CZ 4.24Å
774	A	92.3	Very high	90.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-36	176.2	0	0	0	0	0	113.1	L744 K745 L748 L770 G771 I772 V776 F777	L744-A774 HydrophobicContact CD2-CB 4.11Å; L744-A774 HydrophobicContact CG-CB 4.15Å; K745-A774 HydrophobicContact CB-CB 4.13Å; L748-A774 HydrophobicContact CD1-CB 3.5Å; L770-A774 PolarHBondContact O-N 3.3Å; G771-A774 PolarHBondContact O-N 2.77Å; I772-A774 VanDerWaalsContact C-N 3.31Å; I772-A774 PolarHBondContact O-N 3.2Å; A774-V776 PolarHBondContact O-N 2.86Å; A774-F777 PolarHBondContact O-N 2.87Å; A774-F777 VanDerWaalsContact O-N 3.1Å
775	N	91.9	Very high	89.9	Confident	38 Å²	38	40.8 Å²	40.8	20%	0.203	23%	0.227	C	C	.	.	H	α-helix	trans	-64	-25.2	176	-65.5	-32.4	0	0	0	112.5	K745 G771 I772 I773 F777 I778 V779 L787	K745-N775 PolarHBondContact NZ-OD1 3.21Å; G771-N775 PolarHBondContact O-N 3.37Å; G771-N775 PolarHBondContact O-ND2 3.46Å; I772-N775 WeakPolarHBondContact O-CB 3.09Å; I772-N775 PolarHBondContact O-N 3.03Å; I772-N775 VanDerWaalsContact O-N 3.12Å; I773-N775 VanDerWaalsContact C-N 3.32Å; I773-N775 PolarHBondContact O-N 3.37Å; N775-F777 PolarHBondContact O-N 2.84Å; N775-F777 VanDerWaalsContact O-N 3.13Å; N775-I778 PolarHBondContact O-N 3.46Å; N775-V779 PolarHBondContact O-N 3.14Å; N775-V779 VanDerWaalsContact O-N 3.08Å; N775-L787 HydrophobicContact CB-CD1 4.04Å; N775-L787 HydrophobicContact CB-CD2 4.08Å
776	V	91.9	Very high	89.5	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-54.5	-30.5	172.7	175.1	0	0	0	0	112	I772 I773 A774 L784 F788 I802 R805	I772-V776 PolarHBondContact O-N 3.47Å; I773-V776 WeakPolarHBondContact O-CB 3.35Å; I773-V776 WeakPolarHBondContact O-CG2 3.38Å; I773-V776 PolarHBondContact O-N 2.86Å; I773-V776 VanDerWaalsContact O-N 3.16Å; A774-V776 PolarHBondContact O-N 2.86Å; V776-L784 HydrophobicContact CB-CD2 4.46Å; V776-L784 HydrophobicContact CG1-CD2 4.02Å; V776-F788 HydrophobicContact CG2-CE1 4.03Å; V776-F788 HydrophobicContact CG2-CZ 3.71Å; V776-I802 HydrophobicContact CG1-CB 4.26Å; V776-I802 HydrophobicContact CG1-CD1 4.49Å; V776-I802 HydrophobicContact CG1-CG1 3.37Å; V776-R805 WeakPolarHBondContact O-CD 3.16Å; V776-R805 PolarHBondContact O-NH1 3.07Å
777	F	92.5	Very high	89.1	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.009	22%	0.217	C	C	.	.	H	α-helix	trans	-89.9	-18.6	-179.6	-57.9	-58.2	0	0	0	113.7	F736 P738 L744 I773 A774 N775 F801 L804 R805	F736-F777 HydrophobicContact CB-CB 3.99Å; F736-F777 HydrophobicContact CB-CD1 3.34Å; F736-F777 HydrophobicContact CB-CD2 4.2Å; F736-F777 HydrophobicContact CB-CE1 3.75Å; F736-F777 HydrophobicContact CB-CG 3.58Å; F736-F777 HydrophobicContact CB-CZ 4.3Å; F736-F777 AromaticContact CD1-CD2 3.91Å; F736-F777 HydrophobicContact CD1-CD2 3.91Å; F736-F777 HydrophobicContact CD1-CE2 4.03Å; F736-F777 HydrophobicContact CD1-CG 4.15Å; F736-F777 HydrophobicContact CD1-CZ 4.38Å; F736-F777 HydrophobicContact CD2-CD1 4.05Å; F736-F777 HydrophobicContact CD2-CD2 4.39Å; F736-F777 AromaticContact CD2-CE1 3.54Å; F736-F777 HydrophobicContact CD2-CE1 3.54Å; F736-F777 AromaticContact CD2-CE2 3.9Å; F736-F777 HydrophobicContact CD2-CE2 3.9Å; F736-F777 HydrophobicContact CD2-CG 4.43Å; F736-F777 AromaticContact CD2-CZ 3.43Å; F736-F777 HydrophobicContact CD2-CZ 3.43Å; F736-F777 VanDerWaalsContact CD2-CZ 3.43Å; F736-F777 HydrophobicContact CE1-CD2 4.44Å; F736-F777 HydrophobicContact CE1-CE2 4.23Å; F736-F777 HydrophobicContact CE2-CE1 4.34Å; F736-F777 HydrophobicContact CE2-CE2 4.09Å; F736-F777 AromaticContact CE2-CZ 3.78Å; F736-F777 HydrophobicContact CE2-CZ 3.78Å; F736-F777 AromaticContact CG-CD1 3.74Å; F736-F777 HydrophobicContact CG-CD1 3.74Å; F736-F777 AromaticContact CG-CD2 3.91Å; F736-F777 HydrophobicContact CG-CD2 3.91Å; F736-F777 AromaticContact CG-CE1 3.74Å; F736-F777 HydrophobicContact CG-CE1 3.74Å; F736-F777 AromaticContact CG-CE2 3.89Å; F736-F777 HydrophobicContact CG-CE2 3.89Å; F736-F777 AromaticContact CG-CG 3.81Å; F736-F777 HydrophobicContact CG-CG 3.81Å; F736-F777 AromaticContact CG-CZ 3.79Å; F736-F777 HydrophobicContact CG-CZ 3.79Å; F736-F777 HydrophobicContact CZ-CE2 4.26Å; F736-F777 HydrophobicContact CZ-CZ 4.41Å; P738-F777 WeakPolarHBondContact CA-O 3.38Å; L744-F777 HydrophobicContact CD2-CD2 3.8Å; L744-F777 HydrophobicContact CD2-CE2 3.76Å; I773-F777 HydrophobicContact CG2-CE2 4.46Å; A774-F777 PolarHBondContact O-N 2.87Å; A774-F777 VanDerWaalsContact O-N 3.1Å; N775-F777 PolarHBondContact O-N 2.84Å; N775-F777 VanDerWaalsContact O-N 3.13Å; F777-F801 WeakPolarHBondContact CE1-O 3.45Å; F777-F801 AromaticContact CE2-CD1 3.84Å; F777-F801 HydrophobicContact CE2-CD1 3.84Å; F777-F801 HydrophobicContact CZ-CB 4.03Å; F777-F801 AromaticContact CZ-CD1 3.62Å; F777-F801 HydrophobicContact CZ-CD1 3.62Å; F777-F801 HydrophobicContact CZ-CG 4.3Å; F777-L804 HydrophobicContact CE1-CB 3.97Å; F777-L804 HydrophobicContact CZ-CB 4.22Å; F777-L804 HydrophobicContact CZ-CD1 4.46Å; F777-R805 HydrophobicContact CD1-CG 3.78Å; F777-R805 HydrophobicContact CE1-CG 4.19Å
778	I	91.4	Very high	88.4	Confident	46 Å²	46	37.1 Å²	37.1	24%	0.236	22%	0.218	C	C	.	.	H	α-helix	trans	-93.3	-40.9	-172.6	-60.1	164.6	0	0	0	111.2	L742 K745 N775	L742-I778 HydrophobicContact CD2-CD1 3.83Å; L742-I778 HydrophobicContact CD2-CG1 4.15Å; L742-I778 HydrophobicContact CD2-CG2 4.06Å; L742-I778 HydrophobicContact CG-CD1 4.36Å; L742-I778 HydrophobicContact CG-CG1 4.24Å; L742-I778 HydrophobicContact CG-CG2 4.45Å; K745-I778 HydrophobicContact CB-CD1 4.28Å; K745-I778 HydrophobicContact CD-CD1 3.8Å; N775-I778 PolarHBondContact O-N 3.46Å
779	V	91.4	Very high	87.8	Confident	33 Å²	33	38 Å²	38	20%	0.2	22%	0.222	C	C	.	.	S	Bend	trans	-73.9	157.5	-172.8	-58.4	0	0	0	0	112.6	N775 L784 L787 R805	N775-V779 PolarHBondContact O-N 3.14Å; N775-V779 VanDerWaalsContact O-N 3.08Å; V779-L784 HydrophobicContact CG2-CD2 3.71Å; V779-L784 HydrophobicContact CG2-CG 4.14Å; V779-L787 HydrophobicContact CB-CD1 4.37Å; V779-L787 HydrophobicContact CG1-CD1 3.96Å; V779-L787 HydrophobicContact CG1-CD2 4.28Å; V779-L787 HydrophobicContact CG1-CG 4.41Å; V779-L787 HydrophobicContact CG2-CD1 3.5Å; V779-L787 HydrophobicContact CG2-CG 4.35Å; V779-R805 PolarHBondContact O-NH1 3.44Å; V779-R805 PolarHBondContact O-NH2 3.29Å; V779-R805 VanDerWaalsContact O-NH2 3.12Å
780	A	89.9	Confident	87.1	Confident	54 Å²	54	39.1 Å²	39.1	45%	0.446	24%	0.244	S	C	.	.			trans	-63.6	150.2	170.1	0	0	0	0	0	111.1	D782 S783	A780-D782 PolarHBondContact O-N 3.36Å; A780-S783 PolarHBondContact O-N 3.04Å
781	P	86.4	Confident	86.4	Confident	27 Å²	27	40 Å²	40	18%	0.175	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-44.4	-37.8	175.5	-37.5	41.4	0	0	0	115.8	S783 D807 A811 L813	P781-S783 VanDerWaalsContact C-N 3.33Å; P781-D807 WeakPolarHBondContact CG-OD2 3.19Å; P781-A811 HydrophobicContact CB-CB 4.16Å; P781-A811 HydrophobicContact CG-CB 3.66Å; P781-L813 HydrophobicContact CB-CD2 3.73Å; P781-L813 HydrophobicContact CG-CD2 4.3Å
782	D	86.8	Confident	85.5	Confident	119 Å²	119	42.9 Å²	42.9	64%	0.636	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-76.4	-18.6	-177	-62.8	-43.8	0	0	0	113.7	A780 P785 K816	A780-D782 PolarHBondContact O-N 3.36Å; D782-P785 WeakPolarHBondContact O-CD 3.46Å; D782-K816 IonicContact OD1-NZ 2.69Å; D782-K816 PolarHBondContact OD1-NZ 3.11Å
783	S	88.1	Confident	85	Confident	51 Å²	51	45.7 Å²	45.7	36%	0.357	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-91.9	-11.7	179.2	-54.1	0	0	0	0	113.3	A780 P781 P785 T786	A780-S783 PolarHBondContact O-N 3.04Å; P781-S783 VanDerWaalsContact C-N 3.33Å; S783-P785 VanDerWaalsContact C-N 3.35Å; S783-T786 PolarHBondContact O-N 3.32Å; S783-T786 PolarHBondContact O-OG1 3.06Å
784	L	86.1	Confident	84.5	Confident	4 Å²	4	46 Å²	46	2%	0.021	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-42.9	177.4	-72.1	172.1	0	0	0	114.1	V776 V779 T786 L787 F788 I802 L813	V776-L784 HydrophobicContact CB-CD2 4.46Å; V776-L784 HydrophobicContact CG1-CD2 4.02Å; V779-L784 HydrophobicContact CG2-CD2 3.71Å; V779-L784 HydrophobicContact CG2-CG 4.14Å; L784-T786 VanDerWaalsContact C-N 3.32Å; L784-T786 PolarHBondContact O-N 3.11Å; L784-L787 HydrophobicContact CD2-CD1 4.36Å; L784-L787 PolarHBondContact O-N 3.16Å; L784-F788 WeakPolarHBondContact O-CD2 3.25Å; L784-F788 WeakPolarHBondContact O-CE2 3.26Å; L784-I802 HydrophobicContact CD1-CG2 4.22Å; L784-I802 HydrophobicContact CD2-CG1 4.44Å; L784-L813 HydrophobicContact CD1-CD1 4.07Å; L784-L813 HydrophobicContact CD1-CD2 4.03Å
785	P	80.9	Confident	83.8	Confident	41 Å²	41	50.4 Å²	50.4	27%	0.266	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-54.5	-46.8	178.4	-25.8	35.3	0	0	0	113.1	D782 S783 L787 F788 L820	D782-P785 WeakPolarHBondContact O-CD 3.46Å; S783-P785 VanDerWaalsContact C-N 3.35Å; P785-L787 PolarHBondContact O-N 3.4Å; P785-F788 PolarHBondContact O-N 3.13Å; P785-L820 HydrophobicContact CB-CD1 4.34Å; P785-L820 HydrophobicContact CB-CD2 3.53Å; P785-L820 HydrophobicContact CG-CD1 3.7Å; P785-L820 HydrophobicContact CG-CD2 3.47Å; P785-L820 VanDerWaalsContact CG-CD2 3.47Å; P785-L820 HydrophobicContact CG-CG 4.19Å
786	T	84.2	Confident	83.2	Confident	84 Å²	84	55.1 Å²	55.1	52%	0.515	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-66.9	-24.8	-173.8	63.8	0	0	0	0	112.7	S783 L784 F788	S783-T786 PolarHBondContact O-N 3.32Å; S783-T786 PolarHBondContact O-OG1 3.06Å; L784-T786 VanDerWaalsContact C-N 3.32Å; L784-T786 PolarHBondContact O-N 3.11Å; T786-F788 PolarHBondContact O-N 3.2Å
787	L	83.3	Confident	82.8	Confident	39 Å²	39	57.3 Å²	57.3	20%	0.204	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-65.5	-22.7	177.2	-72.6	179.8	0	0	0	113.3	N775 V779 L784 P785	N775-L787 HydrophobicContact CB-CD1 4.04Å; N775-L787 HydrophobicContact CB-CD2 4.08Å; V779-L787 HydrophobicContact CB-CD1 4.37Å; V779-L787 HydrophobicContact CG1-CD1 3.96Å; V779-L787 HydrophobicContact CG1-CD2 4.28Å; V779-L787 HydrophobicContact CG1-CG 4.41Å; V779-L787 HydrophobicContact CG2-CD1 3.5Å; V779-L787 HydrophobicContact CG2-CG 4.35Å; L784-L787 HydrophobicContact CD2-CD1 4.36Å; L784-L787 PolarHBondContact O-N 3.16Å; P785-L787 PolarHBondContact O-N 3.4Å
788	F	80	Confident	82.4	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.018	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-108	1.5	-171.6	-51.3	-64	0	0	0	114.1	I772 V776 L784 P785 T786 G790 S791 I794 A798 I802 W821	I772-F788 HydrophobicContact CG2-CD1 4.47Å; I772-F788 HydrophobicContact CG2-CE1 4.37Å; V776-F788 HydrophobicContact CG2-CE1 4.03Å; V776-F788 HydrophobicContact CG2-CZ 3.71Å; L784-F788 WeakPolarHBondContact O-CD2 3.25Å; L784-F788 WeakPolarHBondContact O-CE2 3.26Å; P785-F788 PolarHBondContact O-N 3.13Å; T786-F788 PolarHBondContact O-N 3.2Å; F788-G790 PolarHBondContact O-N 3.06Å; F788-S791 PolarHBondContact O-N 3.43Å; F788-I794 HydrophobicContact CD1-CG2 3.87Å; F788-I794 HydrophobicContact CE1-CG2 4.27Å; F788-A798 HydrophobicContact CD1-CB 3.95Å; F788-A798 HydrophobicContact CE1-CB 3.23Å; F788-A798 HydrophobicContact CE2-CB 4.47Å; F788-A798 HydrophobicContact CZ-CB 3.53Å; F788-I802 HydrophobicContact CE2-CD1 3.96Å; F788-I802 HydrophobicContact CZ-CD1 4Å; F788-W821 HydrophobicContact CB-CZ2 4.23Å; F788-W821 AromaticContact CD2-CH2 3.73Å; F788-W821 HydrophobicContact CD2-CH2 3.73Å; F788-W821 AromaticContact CD2-CZ2 3.44Å; F788-W821 HydrophobicContact CD2-CZ2 3.44Å; F788-W821 VanDerWaalsContact CD2-CZ2 3.44Å; F788-W821 AromaticContact CE2-CH2 3.68Å; F788-W821 HydrophobicContact CE2-CH2 3.68Å; F788-W821 AromaticContact CE2-CZ2 3.91Å; F788-W821 HydrophobicContact CE2-CZ2 3.91Å; F788-W821 HydrophobicContact CG-CH2 4.39Å; F788-W821 AromaticContact CG-CZ2 3.88Å; F788-W821 HydrophobicContact CG-CZ2 3.88Å; F788-W821 HydrophobicContact CZ-CH2 4.33Å
789	E	78.4	Confident	82	Confident	152 Å²	152	58.9 Å²	58.9	71%	0.71	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.5	-177.5	-72.8	178.9	-178.2	0	0	112.7
790	G	74.7	Confident	81.9	Confident	68 Å²	68	63.9 Å²	63.9	70%	0.701	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-5.5	-179.3	0	0	0	0	0	116.7	F788	F788-G790 PolarHBondContact O-N 3.06Å
791	S	76.9	Confident	82	Confident	24 Å²	24	61.3 Å²	61.3	17%	0.168	34%	0.336	C	S	.	.			trans	-140.3	70.8	-170.4	-54.3	0	0	0	0	112	I772 F788 S793 I794	I772-S791 VanDerWaalsContact CD1-OG 3.32Å; I772-S791 WeakPolarHBondContact CD1-OG 3.48Å; F788-S791 PolarHBondContact O-N 3.43Å; S791-S793 PolarHBondContact O-N 3.45Å; S791-I794 WeakPolarHBondContact O-CG2 3.42Å; S791-I794 PolarHBondContact O-N 3.29Å
792	P	71.7	Confident	82.2	Confident	83 Å²	83	60 Å²	60	54%	0.539	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-63.7	-25.7	-174.9	24.9	-33.5	0	0	0	113.6	I794 R795	P792-I794 PolarHBondContact O-N 3.21Å; P792-R795 WeakPolarHBondContact O-CG 3.46Å; P792-R795 PolarHBondContact O-N 2.95Å
793	S	78.4	Confident	82.4	Confident	88 Å²	88	59.1 Å²	59.1	62%	0.615	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-58.7	-31.2	178.3	50.7	0	0	0	0	113	S791 R795	S791-S793 PolarHBondContact O-N 3.45Å; S793-R795 PolarHBondContact O-N 3.03Å
794	I	78.3	Confident	82.7	Confident	10 Å²	10	58 Å²	58	5%	0.051	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-85	-7.8	-173.6	-145.5	172.8	0	0	0	114	L769 I772 I773 F788 S791 P792 K796 D797 A798	L769-I794 HydrophobicContact CB-CD1 3.79Å; L769-I794 HydrophobicContact CD2-CD1 4.49Å; L769-I794 WeakPolarHBondContact O-CD1 3.37Å; I772-I794 HydrophobicContact CB-CD1 4.12Å; I773-I794 HydrophobicContact CD1-CD1 3.7Å; I773-I794 HydrophobicContact CD1-CG1 3.83Å; I773-I794 HydrophobicContact CG1-CD1 3.55Å; I773-I794 HydrophobicContact CG1-CG1 4.13Å; F788-I794 HydrophobicContact CD1-CG2 3.87Å; F788-I794 HydrophobicContact CE1-CG2 4.27Å; S791-I794 WeakPolarHBondContact O-CG2 3.42Å; S791-I794 PolarHBondContact O-N 3.29Å; P792-I794 PolarHBondContact O-N 3.21Å; I794-K796 VanDerWaalsContact C-N 3.29Å; I794-K796 PolarHBondContact O-N 2.87Å; I794-D797 PolarHBondContact O-N 3.11Å; I794-D797 VanDerWaalsContact O-N 3.15Å; I794-A798 HydrophobicContact CG2-CB 4.4Å; I794-A798 VanDerWaalsContact O-CB 3.3Å; I794-A798 WeakPolarHBondContact O-CB 3.4Å; I794-A798 PolarHBondContact O-N 3.32Å
795	R	77.4	Confident	83.1	Confident	91 Å²	91	58.3 Å²	58.3	34%	0.343	31%	0.311	S	S	.	.	H	α-helix	trans	-57	-38.7	-169.5	-73.4	179.2	-174	175	3.9	113.7	P792 S793 Q799 W821	P792-R795 WeakPolarHBondContact O-CG 3.46Å; P792-R795 PolarHBondContact O-N 2.95Å; S793-R795 PolarHBondContact O-N 3.03Å; R795-Q799 PolarHBondContact O-N 3.05Å; R795-W821 HydrophobicContact CG-CZ2 4.31Å
796	K	79.6	Confident	83.6	Confident	138 Å²	138	60.4 Å²	60.4	60%	0.6	32%	0.317	S	S	*	.	H	α-helix	trans	-65	-45.6	179.9	-73.9	-173	178.6	-179.8	0	111.7	I794	I794-K796 VanDerWaalsContact C-N 3.29Å; I794-K796 PolarHBondContact O-N 2.87Å
797	D	82.2	Confident	83.9	Confident	46 Å²	46	58.3 Å²	58.3	25%	0.246	30%	0.303	C	S	.	.	H	α-helix	trans	-71.4	-43.7	177.4	-63.3	-49.7	0	0	0	110.4	I773 I794 Q799 R800 F801	I773-D797 HydrophobicContact CD1-CB 4.34Å; I794-D797 PolarHBondContact O-N 3.11Å; I794-D797 VanDerWaalsContact O-N 3.15Å; D797-Q799 VanDerWaalsContact C-N 3.29Å; D797-Q799 PolarHBondContact O-N 3.45Å; D797-R800 WeakPolarHBondContact O-CB 3.36Å; D797-R800 PolarHBondContact O-N 3.22Å; D797-F801 VanDerWaalsContact O-CD2 3.22Å; D797-F801 WeakPolarHBondContact O-CD2 3.45Å; D797-F801 PolarHBondContact O-N 3.16Å
798	A	83.7	Confident	84.3	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-51.9	-44.7	175	0	0	0	0	0	113	I773 F788 I794 R800 F801 I802	I773-A798 HydrophobicContact CD1-CB 4.23Å; F788-A798 HydrophobicContact CD1-CB 3.95Å; F788-A798 HydrophobicContact CE1-CB 3.23Å; F788-A798 HydrophobicContact CE2-CB 4.47Å; F788-A798 HydrophobicContact CZ-CB 3.53Å; I794-A798 HydrophobicContact CG2-CB 4.4Å; I794-A798 VanDerWaalsContact O-CB 3.3Å; I794-A798 WeakPolarHBondContact O-CB 3.4Å; I794-A798 PolarHBondContact O-N 3.32Å; A798-R800 VanDerWaalsContact C-N 3.33Å; A798-R800 PolarHBondContact O-N 3.44Å; A798-F801 PolarHBondContact O-N 3.03Å; A798-I802 WeakPolarHBondContact O-CD1 3.17Å; A798-I802 WeakPolarHBondContact O-CG1 3.45Å; A798-I802 PolarHBondContact O-N 3.19Å
799	Q	84.1	Confident	84.8	Confident	81 Å²	81	67.6 Å²	67.6	38%	0.379	34%	0.34	S	S	.	.	H	α-helix	trans	-60.5	-42	177.5	-173.2	-178.4	4.2	0	0	112.3	R795 D797 W821	R795-Q799 PolarHBondContact O-N 3.05Å; D797-Q799 VanDerWaalsContact C-N 3.29Å; D797-Q799 PolarHBondContact O-N 3.45Å; Q799-W821 HydrophobicContact CB-CZ3 4.22Å
800	R	88	Confident	85.3	Confident	138 Å²	138	65 Å²	65	52%	0.521	34%	0.339	S	S	.	.	H	α-helix	trans	-64.5	-42.1	175.7	-67.5	175.5	177.3	169.9	-4	110.9	D797 A798 Q803	D797-R800 WeakPolarHBondContact O-CB 3.36Å; D797-R800 PolarHBondContact O-N 3.22Å; A798-R800 VanDerWaalsContact C-N 3.33Å; A798-R800 PolarHBondContact O-N 3.44Å; R800-Q803 WeakPolarHBondContact O-CB 3.42Å; R800-Q803 PolarHBondContact O-N 3.22Å
801	F	91.9	Very high	86	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-72.5	-31.9	-178.6	-81.9	-107.4	0	0	0	113.1	L728 W731 Q732 I773 F777 D797 A798 Q803 L804	L728-F801 HydrophobicContact CB-CZ 4.4Å; L728-F801 HydrophobicContact CD2-CE1 4.34Å; L728-F801 HydrophobicContact CD2-CE2 3.65Å; L728-F801 HydrophobicContact CD2-CZ 3.42Å; L728-F801 VanDerWaalsContact CD2-CZ 3.42Å; L728-F801 WeakPolarHBondContact O-CZ 3.36Å; W731-F801 HydrophobicContact CB-CE1 3.9Å; W731-F801 HydrophobicContact CB-CZ 4.32Å; Q732-F801 HydrophobicContact CG-CD2 4.45Å; Q732-F801 HydrophobicContact CG-CE2 3.82Å; Q732-F801 HydrophobicContact CG-CZ 3.97Å; I773-F801 HydrophobicContact CD1-CG 4.47Å; I773-F801 HydrophobicContact CG2-CB 4.11Å; I773-F801 HydrophobicContact CG2-CD1 3.17Å; I773-F801 HydrophobicContact CG2-CD2 4.3Å; I773-F801 HydrophobicContact CG2-CE1 3.55Å; I773-F801 HydrophobicContact CG2-CG 3.61Å; I773-F801 HydrophobicContact CG2-CZ 4.24Å; F777-F801 WeakPolarHBondContact CE1-O 3.45Å; F777-F801 AromaticContact CE2-CD1 3.84Å; F777-F801 HydrophobicContact CE2-CD1 3.84Å; F777-F801 HydrophobicContact CZ-CB 4.03Å; F777-F801 AromaticContact CZ-CD1 3.62Å; F777-F801 HydrophobicContact CZ-CD1 3.62Å; F777-F801 HydrophobicContact CZ-CG 4.3Å; D797-F801 VanDerWaalsContact O-CD2 3.22Å; D797-F801 WeakPolarHBondContact O-CD2 3.45Å; D797-F801 PolarHBondContact O-N 3.16Å; A798-F801 PolarHBondContact O-N 3.03Å; F801-Q803 PolarHBondContact O-N 2.71Å; F801-L804 HydrophobicContact CD1-CD1 4.12Å; F801-L804 HydrophobicContact CE1-CD1 4.5Å; F801-L804 HydrophobicContact CG-CD1 4.28Å; F801-L804 WeakPolarHBondContact O-CB 3.06Å; F801-L804 PolarHBondContact O-N 2.81Å
802	I	91.2	Very high	86.4	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-61	-33.2	174.6	-68.1	162	0	0	0	111.3	V776 L784 F788 A798 L804 R805 Y808 L813 L817 W821	V776-I802 HydrophobicContact CG1-CB 4.26Å; V776-I802 HydrophobicContact CG1-CD1 4.49Å; V776-I802 HydrophobicContact CG1-CG1 3.37Å; L784-I802 HydrophobicContact CD1-CG2 4.22Å; L784-I802 HydrophobicContact CD2-CG1 4.44Å; F788-I802 HydrophobicContact CE2-CD1 3.96Å; F788-I802 HydrophobicContact CZ-CD1 4Å; A798-I802 WeakPolarHBondContact O-CD1 3.17Å; A798-I802 WeakPolarHBondContact O-CG1 3.45Å; A798-I802 PolarHBondContact O-N 3.19Å; I802-L804 PolarHBondContact O-N 2.99Å; I802-R805 WeakPolarHBondContact O-CB 3.26Å; I802-R805 WeakPolarHBondContact O-CG 3.35Å; I802-R805 PolarHBondContact O-N 3.46Å; I802-Y808 HydrophobicContact CG2-CD2 4.25Å; I802-Y808 HydrophobicContact CG2-CE2 4.43Å; I802-Y808 WeakPolarHBondContact O-CD2 3.36Å; I802-L813 HydrophobicContact CG2-CB 4.3Å; I802-L813 HydrophobicContact CG2-CD1 3.76Å; I802-L817 HydrophobicContact CB-CD1 4.26Å; I802-L817 HydrophobicContact CB-CD2 4.35Å; I802-L817 HydrophobicContact CD1-CD2 3.38Å; I802-L817 HydrophobicContact CG1-CD2 4.4Å; I802-L817 HydrophobicContact CG2-CD1 3.74Å; I802-L817 HydrophobicContact CG2-CD2 4.04Å; I802-L817 HydrophobicContact CG2-CG 4.26Å; I802-W821 HydrophobicContact CD1-CH2 3.93Å; I802-W821 HydrophobicContact CD1-CZ3 4.1Å
803	Q	91.6	Very high	87.1	Confident	100 Å²	100	65.1 Å²	65.1	47%	0.467	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.4	176.3	-61.7	177.5	18.8	0	0	113.3	R800 F801 R805 Y808	R800-Q803 WeakPolarHBondContact O-CB 3.42Å; R800-Q803 PolarHBondContact O-N 3.22Å; F801-Q803 PolarHBondContact O-N 2.71Å; Q803-R805 VanDerWaalsContact C-N 3.32Å; Q803-Y808 HydrophobicContact CB-CE2 4.3Å; Q803-Y808 HydrophobicContact CG-CD2 4.5Å; Q803-Y808 HydrophobicContact CG-CE1 4.5Å; Q803-Y808 HydrophobicContact CG-CE2 3.84Å
804	L	93.7	Very high	87.2	Confident	28 Å²	28	63.3 Å²	63.3	15%	0.147	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-2.7	179.9	-50.5	175	0	0	0	112.6	Q732 T735 F736 F777 F801 I802	Q732-L804 HydrophobicContact CB-CD1 4.46Å; Q732-L804 HydrophobicContact CG-CD1 4.24Å; T735-L804 CarbonylContact C-O 3.55Å; T735-L804 VanDerWaalsContact CA-O 3.29Å; T735-L804 WeakPolarHBondContact CA-O 3.29Å; T735-L804 WeakPolarHBondContact CG2-O 3.37Å; F736-L804 HydrophobicContact CD2-CB 4.01Å; F736-L804 HydrophobicContact CE2-CB 4.38Å; F736-L804 HydrophobicContact CE2-CD1 4.31Å; F736-L804 PolarHBondContact N-O 3.15Å; F777-L804 HydrophobicContact CE1-CB 3.97Å; F777-L804 HydrophobicContact CZ-CB 4.22Å; F777-L804 HydrophobicContact CZ-CD1 4.46Å; F801-L804 HydrophobicContact CD1-CD1 4.12Å; F801-L804 HydrophobicContact CE1-CD1 4.5Å; F801-L804 HydrophobicContact CG-CD1 4.28Å; F801-L804 WeakPolarHBondContact O-CB 3.06Å; F801-L804 PolarHBondContact O-N 2.81Å; I802-L804 PolarHBondContact O-N 2.99Å
805	R	94.4	Very high	87.2	Confident	10 Å²	10	67.2 Å²	67.2	4%	0.038	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-68.3	137.5	173.5	-67.8	176	60.4	113.2	0.9	110.7	V776 F777 V779 I802 Q803 D807 Y808	V776-R805 WeakPolarHBondContact O-CD 3.16Å; V776-R805 PolarHBondContact O-NH1 3.07Å; F777-R805 HydrophobicContact CD1-CG 3.78Å; F777-R805 HydrophobicContact CE1-CG 4.19Å; V779-R805 PolarHBondContact O-NH1 3.44Å; V779-R805 PolarHBondContact O-NH2 3.29Å; V779-R805 VanDerWaalsContact O-NH2 3.12Å; I802-R805 WeakPolarHBondContact O-CB 3.26Å; I802-R805 WeakPolarHBondContact O-CG 3.35Å; I802-R805 PolarHBondContact O-N 3.46Å; Q803-R805 VanDerWaalsContact C-N 3.32Å; R805-D807 VanDerWaalsContact CB-OD1 3.25Å; R805-D807 WeakPolarHBondContact CB-OD1 3.49Å; R805-D807 IonicContact CZ-OD1 3.62Å; R805-D807 IonicContact CZ-OD2 3.96Å; R805-D807 IonicContact NE-OD1 2.76Å; R805-D807 PolarHBondContact NE-OD1 2.98Å; R805-D807 IonicContact NE-OD2 2.87Å; R805-D807 IonicContact NH2-OD1 3.43Å; R805-D807 PolarHBondContact NH2-OD1 3.14Å; R805-D807 IonicContact NH2-OD2 3.96Å; R805-D807 PolarHBondContact NH2-OD2 2.83Å; R805-D807 PolarHBondContact O-N 2.8Å; R805-Y808 WeakPolarHBondContact O-CB 3.43Å; R805-Y808 PolarHBondContact O-N 3.02Å
806	E	91.4	Very high	87	Confident	84 Å²	84	66 Å²	66	39%	0.393	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-36.5	175.2	179.2	171.6	-147.8	0	0	112	R673 T735 F736 N737 Y808	R673-E806 IonicContact CZ-OE1 3.17Å; R673-E806 IonicContact NE-OE1 2.85Å; R673-E806 PolarHBondContact NE-OE1 2.81Å; R673-E806 IonicContact NH2-OE1 2.68Å; R673-E806 PolarHBondContact NH2-OE1 3.21Å; T735-E806 HydrophobicContact CG2-CB 4.14Å; F736-E806 WeakPolarHBondContact O-CB 3.46Å; F736-E806 PolarHBondContact O-N 2.76Å; N737-E806 HydrophobicContact CB-CB 4.37Å; N737-E806 WeakPolarHBondContact CB-OE2 3.43Å; E806-Y808 VanDerWaalsContact C-N 3.29Å; E806-Y808 PolarHBondContact O-N 3.04Å
807	D	91.6	Very high	86.7	Confident	41 Å²	41	60 Å²	60	22%	0.219	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	6	179.2	71.1	-14.3	0	0	0	113.9	P781 R805 K809 S810 A811	P781-D807 WeakPolarHBondContact CG-OD2 3.19Å; R805-D807 VanDerWaalsContact CB-OD1 3.25Å; R805-D807 WeakPolarHBondContact CB-OD1 3.49Å; R805-D807 IonicContact CZ-OD1 3.62Å; R805-D807 IonicContact CZ-OD2 3.96Å; R805-D807 IonicContact NE-OD1 2.76Å; R805-D807 PolarHBondContact NE-OD1 2.98Å; R805-D807 IonicContact NE-OD2 2.87Å; R805-D807 IonicContact NH2-OD1 3.43Å; R805-D807 PolarHBondContact NH2-OD1 3.14Å; R805-D807 IonicContact NH2-OD2 3.96Å; R805-D807 PolarHBondContact NH2-OD2 2.83Å; R805-D807 PolarHBondContact O-N 2.8Å; D807-K809 VanDerWaalsContact C-N 3.26Å; D807-K809 PolarHBondContact O-N 2.81Å; D807-K809 VanDerWaalsContact O-N 3.13Å; D807-S810 VanDerWaalsContact CA-OG 3.3Å; D807-S810 WeakPolarHBondContact CA-OG 3.18Å; D807-S810 PolarHBondContact O-N 3.15Å; D807-S810 PolarHBondContact O-OG 3.17Å; D807-A811 HydrophobicContact CB-CB 4.39Å; D807-A811 VanDerWaalsContact O-CB 3.26Å; D807-A811 WeakPolarHBondContact O-CB 3.44Å; D807-A811 PolarHBondContact O-N 3.18Å
808	Y	91.5	Very high	86.1	Confident	50 Å²	50	61.6 Å²	61.6	20%	0.196	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-44.1	-174.6	176.8	-104.1	0	0	0	113.3	I802 Q803 R805 E806 L813 A814 L817	I802-Y808 HydrophobicContact CG2-CD2 4.25Å; I802-Y808 HydrophobicContact CG2-CE2 4.43Å; I802-Y808 WeakPolarHBondContact O-CD2 3.36Å; Q803-Y808 HydrophobicContact CB-CE2 4.3Å; Q803-Y808 HydrophobicContact CG-CD2 4.5Å; Q803-Y808 HydrophobicContact CG-CE1 4.5Å; Q803-Y808 HydrophobicContact CG-CE2 3.84Å; R805-Y808 WeakPolarHBondContact O-CB 3.43Å; R805-Y808 PolarHBondContact O-N 3.02Å; E806-Y808 VanDerWaalsContact C-N 3.29Å; E806-Y808 PolarHBondContact O-N 3.04Å; Y808-L813 HydrophobicContact CD2-CB 3.64Å; Y808-L813 HydrophobicContact CD2-CD1 4.15Å; Y808-L813 HydrophobicContact CD2-CG 4.4Å; Y808-L813 HydrophobicContact CE2-CB 3.9Å; Y808-L813 PolarHBondContact O-N 3.01Å; Y808-A814 WeakPolarHBondContact OH-CB 3.44Å; Y808-L817 HydrophobicContact CE2-CD1 3.92Å
809	K	89.7	Confident	85.3	Confident	187 Å²	187	65.6 Å²	65.6	81%	0.813	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-45.6	178.3	-67	-177.5	-179.1	176.6	0	112.4	D807 K812	D807-K809 VanDerWaalsContact C-N 3.26Å; D807-K809 PolarHBondContact O-N 2.81Å; D807-K809 VanDerWaalsContact O-N 3.13Å; K809-K812 PolarHBondContact O-N 3.04Å; K809-K812 VanDerWaalsContact O-N 3.16Å
810	S	90.2	Very high	84.2	Confident	98 Å²	98	64.5 Å²	64.5	69%	0.685	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-37.9	-175.7	52.8	0	0	0	0	112.2	D807 K812	D807-S810 VanDerWaalsContact CA-OG 3.3Å; D807-S810 WeakPolarHBondContact CA-OG 3.18Å; D807-S810 PolarHBondContact O-N 3.15Å; D807-S810 PolarHBondContact O-OG 3.17Å; S810-K812 PolarHBondContact O-N 3.19Å
811	A	87.7	Confident	83.1	Confident	24 Å²	24	59.8 Å²	59.8	20%	0.198	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	2.9	174.7	0	0	0	0	0	113.7	P781 D807 L813	P781-A811 HydrophobicContact CB-CB 4.16Å; P781-A811 HydrophobicContact CG-CB 3.66Å; D807-A811 HydrophobicContact CB-CB 4.39Å; D807-A811 VanDerWaalsContact O-CB 3.26Å; D807-A811 WeakPolarHBondContact O-CB 3.44Å; D807-A811 PolarHBondContact O-N 3.18Å; A811-L813 HydrophobicContact CB-CD2 3.99Å; A811-L813 HydrophobicContact CB-CG 3.97Å; A811-L813 PolarHBondContact O-N 3.43Å
812	K	86.8	Confident	81.4	Confident	152 Å²	152	64.5 Å²	64.5	66%	0.661	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	37.3	179.9	-58.8	-180	180	177.4	0	113.1	K809 S810 A814 T815	K809-K812 PolarHBondContact O-N 3.04Å; K809-K812 VanDerWaalsContact O-N 3.16Å; S810-K812 PolarHBondContact O-N 3.19Å; K812-A814 PolarHBondContact O-N 3.35Å; K812-A814 VanDerWaalsContact O-N 3.16Å; K812-T815 PolarHBondContact O-N 3.47Å; K812-T815 VanDerWaalsContact O-N 3.11Å; K812-T815 PolarHBondContact O-OG1 3.46Å
813	L	85.2	Confident	79.5	Confident	2 Å²	2	69.3 Å²	69.3	1%	0.01	39%	0.385	C	S	.	.	H	α-helix	trans	-61.2	-29.7	-170.8	-67.2	-174.9	0	0	0	113.3	P781 L784 I802 Y808 A811 T815 K816 L817	P781-L813 HydrophobicContact CB-CD2 3.73Å; P781-L813 HydrophobicContact CG-CD2 4.3Å; L784-L813 HydrophobicContact CD1-CD1 4.07Å; L784-L813 HydrophobicContact CD1-CD2 4.03Å; I802-L813 HydrophobicContact CG2-CB 4.3Å; I802-L813 HydrophobicContact CG2-CD1 3.76Å; Y808-L813 HydrophobicContact CD2-CB 3.64Å; Y808-L813 HydrophobicContact CD2-CD1 4.15Å; Y808-L813 HydrophobicContact CD2-CG 4.4Å; Y808-L813 HydrophobicContact CE2-CB 3.9Å; Y808-L813 PolarHBondContact O-N 3.01Å; A811-L813 HydrophobicContact CB-CD2 3.99Å; A811-L813 HydrophobicContact CB-CG 3.97Å; A811-L813 PolarHBondContact O-N 3.43Å; L813-T815 PolarHBondContact O-N 3.46Å; L813-K816 HydrophobicContact CD2-CD 4.26Å; L813-K816 PolarHBondContact O-N 3.29Å; L813-L817 VanDerWaalsContact O-CG 3.27Å; L813-L817 WeakPolarHBondContact O-CG 3.11Å; L813-L817 PolarHBondContact O-N 3.25Å
814	A	80.8	Confident	77.2	Confident	50 Å²	50	69.5 Å²	69.5	41%	0.413	39%	0.389	S	S	.	.	H	α-helix	trans	-50.5	-44.1	174.9	0	0	0	0	0	112.6	Y808 K812 S818	Y808-A814 WeakPolarHBondContact OH-CB 3.44Å; K812-A814 PolarHBondContact O-N 3.35Å; K812-A814 VanDerWaalsContact O-N 3.16Å; A814-S818 PolarHBondContact O-N 3.31Å; A814-S818 PolarHBondContact O-OG 2.89Å
815	T	78.8	Confident	74.6	Confident	91 Å²	91	76.2 Å²	76.2	56%	0.558	44%	0.438	S	S	*	.	H	α-helix	trans	-72.9	-33.4	179.5	59.2	0	0	0	0	113	K812 L813 S818 S819	K812-T815 PolarHBondContact O-N 3.47Å; K812-T815 VanDerWaalsContact O-N 3.11Å; K812-T815 PolarHBondContact O-OG1 3.46Å; L813-T815 PolarHBondContact O-N 3.46Å; T815-S818 WeakPolarHBondContact CA-OG 3.3Å; T815-S818 PolarHBondContact O-OG 3.1Å; T815-S819 PolarHBondContact O-N 3.5Å
816	K	74.2	Confident	73.6	Confident	67 Å²	67	79.6 Å²	79.6	29%	0.291	46%	0.458	S	S	.	.	H	α-helix	trans	-69.1	-42.8	174.1	-67.4	-170	178.4	-176.9	0	110.9	D782 L813 S818 S819 L820	D782-K816 IonicContact OD1-NZ 2.69Å; D782-K816 PolarHBondContact OD1-NZ 3.11Å; L813-K816 HydrophobicContact CD2-CD 4.26Å; L813-K816 PolarHBondContact O-N 3.29Å; K816-S818 PolarHBondContact O-N 3.01Å; K816-S819 PolarHBondContact O-N 2.68Å; K816-S819 VanDerWaalsContact O-N 3.1Å; K816-S819 PolarHBondContact O-OG 3.24Å; K816-L820 WeakPolarHBondContact O-CD1 3.42Å; K816-L820 VanDerWaalsContact O-CG 3.24Å; K816-L820 WeakPolarHBondContact O-CG 3.48Å; K816-L820 PolarHBondContact O-N 2.77Å
817	L	73.2	Confident	72.7	Confident	12 Å²	12	79.3 Å²	79.3	6%	0.063	46%	0.462	C	S	.	.	H	α-helix	trans	-61.7	-43.4	178.3	-68.5	168.1	0	0	0	112.4	I802 Y808 L813 S819 L820 W821	I802-L817 HydrophobicContact CB-CD1 4.26Å; I802-L817 HydrophobicContact CB-CD2 4.35Å; I802-L817 HydrophobicContact CD1-CD2 3.38Å; I802-L817 HydrophobicContact CG1-CD2 4.4Å; I802-L817 HydrophobicContact CG2-CD1 3.74Å; I802-L817 HydrophobicContact CG2-CD2 4.04Å; I802-L817 HydrophobicContact CG2-CG 4.26Å; Y808-L817 HydrophobicContact CE2-CD1 3.92Å; L813-L817 VanDerWaalsContact O-CG 3.27Å; L813-L817 WeakPolarHBondContact O-CG 3.11Å; L813-L817 PolarHBondContact O-N 3.25Å; L817-S819 PolarHBondContact O-N 2.85Å; L817-L820 PolarHBondContact O-N 2.74Å; L817-L820 VanDerWaalsContact O-N 3.1Å; L817-W821 HydrophobicContact CD2-CE3 4.01Å; L817-W821 HydrophobicContact CD2-CH2 4.11Å; L817-W821 HydrophobicContact CD2-CZ3 3.36Å; L817-W821 PolarHBondContact O-N 3.2Å
818	S	69.3	Low	71.6	Confident	78 Å²	78	81.4 Å²	81.4	55%	0.545	48%	0.475	S	S	.	.	H	α-helix	trans	-61.7	-31.4	175.3	52	0	0	0	0	112.7	A814 T815 K816	A814-S818 PolarHBondContact O-N 3.31Å; A814-S818 PolarHBondContact O-OG 2.89Å; T815-S818 WeakPolarHBondContact CA-OG 3.3Å; T815-S818 PolarHBondContact O-OG 3.1Å; K816-S818 PolarHBondContact O-N 3.01Å
819	S	66.8	Low	70.4	Confident	84 Å²	84	83.3 Å²	83.3	59%	0.587	49%	0.492	S	S	*	.	H	α-helix	trans	-75.8	-27.6	175.1	73.8	0	0	0	0	113.4	T815 K816 L817	T815-S819 PolarHBondContact O-N 3.5Å; K816-S819 PolarHBondContact O-N 2.68Å; K816-S819 VanDerWaalsContact O-N 3.1Å; K816-S819 PolarHBondContact O-OG 3.24Å; L817-S819 PolarHBondContact O-N 2.85Å
820	L	61.4	Low	69.2	Low	59 Å²	59	76.8 Å²	76.8	31%	0.309	47%	0.472	S	S	.	.	H	α-helix	trans	-84.6	-30.5	-176.5	-70.6	165.1	0	0	0	113.4	P785 K816 L817	P785-L820 HydrophobicContact CB-CD1 4.34Å; P785-L820 HydrophobicContact CB-CD2 3.53Å; P785-L820 HydrophobicContact CG-CD1 3.7Å; P785-L820 HydrophobicContact CG-CD2 3.47Å; P785-L820 VanDerWaalsContact CG-CD2 3.47Å; P785-L820 HydrophobicContact CG-CG 4.19Å; K816-L820 WeakPolarHBondContact O-CD1 3.42Å; K816-L820 VanDerWaalsContact O-CG 3.24Å; K816-L820 WeakPolarHBondContact O-CG 3.48Å; K816-L820 PolarHBondContact O-N 2.77Å; L817-L820 PolarHBondContact O-N 2.74Å; L817-L820 VanDerWaalsContact O-N 3.1Å
821	W	64.7	Low	67.8	Low	39 Å²	39	75.4 Å²	75.4	15%	0.148	46%	0.458	C	S	.	.			trans	-133.5	75.5	-178.5	-60.6	-50.6	0	0	0	112.7	F788 R795 Q799 I802 L817 S823	F788-W821 HydrophobicContact CB-CZ2 4.23Å; F788-W821 AromaticContact CD2-CH2 3.73Å; F788-W821 HydrophobicContact CD2-CH2 3.73Å; F788-W821 AromaticContact CD2-CZ2 3.44Å; F788-W821 HydrophobicContact CD2-CZ2 3.44Å; F788-W821 VanDerWaalsContact CD2-CZ2 3.44Å; F788-W821 AromaticContact CE2-CH2 3.68Å; F788-W821 HydrophobicContact CE2-CH2 3.68Å; F788-W821 AromaticContact CE2-CZ2 3.91Å; F788-W821 HydrophobicContact CE2-CZ2 3.91Å; F788-W821 HydrophobicContact CG-CH2 4.39Å; F788-W821 AromaticContact CG-CZ2 3.88Å; F788-W821 HydrophobicContact CG-CZ2 3.88Å; F788-W821 HydrophobicContact CZ-CH2 4.33Å; R795-W821 HydrophobicContact CG-CZ2 4.31Å; Q799-W821 HydrophobicContact CB-CZ3 4.22Å; I802-W821 HydrophobicContact CD1-CH2 3.93Å; I802-W821 HydrophobicContact CD1-CZ3 4.1Å; L817-W821 HydrophobicContact CD2-CE3 4.01Å; L817-W821 HydrophobicContact CD2-CH2 4.11Å; L817-W821 HydrophobicContact CD2-CZ3 3.36Å; L817-W821 PolarHBondContact O-N 3.2Å; W821-S823 PolarHBondContact O-N 3.08Å
822	P	56.3	Low	66.4	Low	98 Å²	98	79.1 Å²	79.1	64%	0.636	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-19.7	-178.6	-18.9	31.1	0	0	0	114.4
823	S	51.2	Low	64.8	Low	102 Å²	102	73.5 Å²	73.5	71%	0.713	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	23.6	-160.3	68.8	0	0	0	0	115.9	W821	W821-S823 PolarHBondContact O-N 3.08Å
824	L	43	Very low	63.2	Low	103 Å²	103	79.4 Å²	79.4	54%	0.539	50%	0.499	S	S	.	.			trans	-131.6	6.3	178.8	-90.9	158.5	0	0	0	114.6
825	S	38.2	Very low	61.6	Low	170 Å²	170	82.1 Å²	82.1	100%	1.189	51%	0.507	S	S	*	.			trans	-77.9	0	154.1	61.9	0	0	0	0	109.1

Retrieved 825 of 825 residues in 426.6 ms (Link to these results)

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