A0A087YIJ5_POEFO Loading...

Cysteine--tRNA ligase, cytoplasmic

Catalyzes the ATP-dependent ligation of cysteine to tRNA(Cys).

AlphaFold DB , UniProt , Accession A0A087YIJ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 822 aa.

						>A0A087YIJ5_POEFO|A0A087YIJ5
CFRSGYCCISISFRPVAMSSSPETAFEFGSLLQINEEAALTAALNDYLTSRSYLAGFGPSQADLRAFRLQHIHALRWYRHISALQQDLSTDGSMKGKRVQPPWSPPAGTQVPQLRLYNSLTRTKEPFVPQKGNKVTWYCCGPTVYDASHMGHARSYISFDILRRILRDYFKYDVLYCMNITDIDDKIIKRARQNFLLEQYREKRPQAAQILQDVLNARVPFREQLASTTDPDKKQMLERLDAAVAAALQPLQGAMESNAAADVLQPLAEVLLENSKDLLSDWLDRQFGSEVTENSIFSVLPKFWEGEFHRDMEALNVLPADVLTRVSEYVPEIVEFVRKIVSNGYGYVSNGSVYFDTQRFDTSPQHSYGVFILVFVLVFSAGDLSISADRLSEKKSQNDFALWKASKPGEPSWDSPWGKGRPGWHIECSAMAGSILGESMDIHGGGFDLRFPHHDNELAQSEAFFQNDCWVRYFLHTGHLTIAGCKMSKSLKNFITIKDALAKNTARQLRLAFLMHSWKDTLDYSANTMESAVQYEKFMNEFFLNVKDVLRAPSDLTGRFEKWEAEEAELNSSFYDRKWAVHLALCDNMDTRSAMEEMRLLVGLSNSYIAGRKSSKLRPNRLLLQSIASYLTAMLKIFGAIEGSDPIGFPVGGQAVDLESTVMPYLAVLSDFREDVRKIAREQKVTALLRLCDAVRDDTLPELGVRLEDHEGQPTVVKLVDKETLLREREEKKKMEEEKKRKKEEAARKKQEQEMAKLAKMKVPPCEMFRSETDKYSRFDDTGFPTHDAEGKELSKGQAKKLRKLFEAQEKLHSEYLQMNGN
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	C	26.8	Very low	25.3	Very low	178 Å²	178	150 Å²	150	100%	1.203	83%	0.834	S	S	*	*				0	111.8	0	-119.6	0	0	0	0	109
2	F	23	Very low	25.3	Very low	189 Å²	189	146.6 Å²	146.6	83%	0.829	83%	0.828	S	S	*	*			trans	19.8	115.7	157.7	-79.3	-88	0	0	0	119.5
3	R	22.9	Very low	25.3	Very low	235 Å²	235	151.6 Å²	151.6	89%	0.887	84%	0.836	S	S	*	*				-170.6	119.6	83.3	-105.9	179.6	179.2	-178.1	-1.9	111.1
4	S	31.6	Very low	25.4	Very low	103 Å²	103	157.1 Å²	157.1	72%	0.72	84%	0.838	S	S	*	*			trans	-62.1	145.6	145.4	48.9	0	0	0	0	109.1
5	G	25.9	Very low	25.8	Very low	67 Å²	67	154.9 Å²	154.9	69%	0.691	84%	0.835	S	S	*	*			trans	-169	56.7	-178.3	0	0	0	0	0	112.4
6	Y	25.8	Very low	25.8	Very low	223 Å²	223	153.3 Å²	153.3	88%	0.875	83%	0.832	S	S	*	*			trans	51.8	133.8	147.7	-72.9	-89.5	0	0	0	122.4
7	C	25.3	Very low	26.1	Very low	111 Å²	111	149.8 Å²	149.8	75%	0.75	83%	0.828	S	S	*	*			trans	107.2	83.7	140	-133.2	0	0	0	0	116
8	C	20.9	Very low	26	Very low	133 Å²	133	152.3 Å²	152.3	90%	0.899	84%	0.836	S	S	*	*			trans	-105.3	102.2	152.6	-77.4	0	0	0	0	108.2	S10	C8-S10 PolarHBondContact O-N 3.45Å
9	I	25.7	Very low	26.1	Very low	147 Å²	147	149.9 Å²	149.9	75%	0.754	83%	0.832	S	S	*	*			trans	-64.5	123.2	148.9	-69.8	169.8	0	0	0	105.7	I11	I9-I11 PolarHBondContact O-N 3.16Å
10	S	26.2	Very low	26.3	Very low	114 Å²	114	148.4 Å²	148.4	80%	0.797	83%	0.831	S	S	*	*			trans	-70.2	120.3	-179.2	-166	0	0	0	0	110.1	C8	C8-S10 PolarHBondContact O-N 3.45Å
11	I	24.6	Very low	26.4	Very low	150 Å²	150	146.8 Å²	146.8	77%	0.769	83%	0.83	S	S	*	*			trans	-134.2	132.2	158.8	-59.5	-178.1	0	0	0	108.6	I9	I9-I11 PolarHBondContact O-N 3.16Å
12	S	25.5	Very low	26.8	Very low	109 Å²	109	143.9 Å²	143.9	76%	0.762	81%	0.809	S	S	*	*			trans	-62	148.3	-177.3	47.2	0	0	0	0	114.2
13	F	25.1	Very low	27.1	Very low	212 Å²	212	144 Å²	144	93%	0.93	81%	0.812	S	S	*	*			trans	-75.6	119.4	168.6	-95.5	-94.7	0	0	0	111.1
14	R	26.1	Very low	27.7	Very low	229 Å²	229	139.5 Å²	139.5	86%	0.864	81%	0.811	S	S	*	*			trans	-142.1	144.3	134.8	-90.7	-164.5	-178.5	-167.2	0.9	109.7	V16	R14-V16 PolarHBondContact O-N 2.93Å
15	P	32.1	Very low	28	Very low	123 Å²	123	138.7 Å²	138.7	80%	0.799	81%	0.81	S	S	*	*			trans	-82.8	119.6	-169.1	33	-30.1	0	0	0	109.8
16	V	25.5	Very low	29.2	Very low	130 Å²	130	141.9 Å²	141.9	79%	0.788	81%	0.805	S	S	*	*			trans	-137.7	128.2	167.8	-176.9	0	0	0	0	108.2	R14 M18	R14-V16 PolarHBondContact O-N 2.93Å; V16-M18 PolarHBondContact O-N 3.14Å
17	A	30.4	Very low	30.3	Very low	93 Å²	93	139 Å²	139	77%	0.769	80%	0.8	S	S	*	*			trans	-46.9	129.2	177.8	0	0	0	0	0	112.2	S19	A17-S19 PolarHBondContact O-N 3.21Å; A17-S19 VanDerWaalsContact O-N 3.17Å
18	M	25.6	Very low	31.6	Very low	195 Å²	195	136.8 Å²	136.8	96%	0.961	78%	0.778	S	S	*	*			trans	-79.5	97.6	166.9	-87.9	-167.9	149.8	0	0	109.6	V16	V16-M18 PolarHBondContact O-N 3.14Å
19	S	26.2	Very low	33.2	Very low	108 Å²	108	132.2 Å²	132.2	76%	0.755	75%	0.753	S	S	*	*			trans	-64.6	130.6	149.4	55.7	0	0	0	0	109.5	A17	A17-S19 PolarHBondContact O-N 3.21Å; A17-S19 VanDerWaalsContact O-N 3.17Å
20	S	30.6	Very low	34.8	Very low	118 Å²	118	128 Å²	128	83%	0.825	74%	0.736	S	S	*	*			trans	-57.4	131.4	170.1	50.4	0	0	0	0	113.4
21	S	28	Very low	36.3	Very low	115 Å²	115	123 Å²	123	80%	0.804	70%	0.701	S	S	*	*			trans	-153.6	152.7	142.3	82.1	0	0	0	0	110.8
22	P	35.4	Very low	37.6	Very low	117 Å²	117	120 Å²	120	76%	0.76	69%	0.686	S	S	*	*			trans	-110.6	135	-147.1	35.8	-23.6	0	0	0	113.4
23	E	29.8	Very low	39.2	Very low	193 Å²	193	122.3 Å²	122.3	90%	0.902	69%	0.685	S	S	*	*	S	Bend	trans	-107.3	105.2	157	-79	-173.5	159.3	0	0	109	A25	E23-A25 PolarHBondContact O-N 3.06Å
24	T	34.8	Very low	41.4	Very low	140 Å²	140	114.9 Å²	114.9	86%	0.859	65%	0.654	S	S	*	*			trans	40.6	67.3	161.9	49.4	0	0	0	0	117.9	F26	T24-F26 PolarHBondContact O-N 3.1Å
25	A	39	Very low	43.1	Very low	85 Å²	85	111.7 Å²	111.7	70%	0.702	65%	0.654	S	S	*	*			trans	-63.9	121.9	152.5	0	0	0	0	0	109.2	E23 E27	E23-A25 PolarHBondContact O-N 3.06Å; A25-E27 PolarHBondContact O-N 3.11Å
26	F	50.5	Low	45.1	Very low	135 Å²	135	112.8 Å²	112.8	59%	0.592	65%	0.649	S	S	*	*			trans	-59.2	105.4	167.7	-160.2	-90.5	0	0	0	108	T24 F28 L31 Y47	T24-F26 PolarHBondContact O-N 3.1Å; F26-F28 PolarHBondContact O-N 2.8Å; F26-F28 VanDerWaalsContact O-N 3.1Å; F26-L31 HydrophobicContact CE1-CG 4.32Å; F26-Y47 HydrophobicContact CD1-CD2 4.08Å; F26-Y47 HydrophobicContact CD1-CE2 4.24Å
27	E	48.3	Very low	46.9	Very low	162 Å²	162	113.1 Å²	113.1	76%	0.757	64%	0.642	S	S	*	*			trans	-68.5	111.5	-177.5	-79	-164.6	165	0	0	109.8	A25 G29 S30	A25-E27 PolarHBondContact O-N 3.11Å; E27-G29 PolarHBondContact O-N 3.38Å; E27-S30 PolarHBondContact O-N 3.49Å; E27-S30 PolarHBondContact O-OG 3.46Å
28	F	53.5	Low	48.5	Very low	64 Å²	64	112.5 Å²	112.5	28%	0.281	64%	0.637	S	S	.	*	G	3₁₀ helix	trans	-50.5	-24.4	178	177.2	-107.2	0	0	0	113.8	F26 S30 L31 L32 Q61 A62	F26-F28 PolarHBondContact O-N 2.8Å; F26-F28 VanDerWaalsContact O-N 3.1Å; F28-S30 PolarHBondContact O-N 3.09Å; F28-S30 VanDerWaalsContact O-N 3.16Å; F28-L31 HydrophobicContact CD2-CD1 4.08Å; F28-L31 HydrophobicContact CE2-CD1 4.37Å; F28-L31 PolarHBondContact O-N 2.77Å; F28-L31 VanDerWaalsContact O-N 3.12Å; F28-L32 HydrophobicContact CD1-CD1 4.18Å; F28-L32 HydrophobicContact CD1-CG 4.44Å; F28-L32 HydrophobicContact CE1-CD1 3.85Å; F28-L32 HydrophobicContact CE1-CD2 4.03Å; F28-L32 HydrophobicContact CE1-CG 3.98Å; F28-L32 HydrophobicContact CZ-CD2 4.04Å; F28-L32 HydrophobicContact CZ-CG 4.32Å; F28-Q61 HydrophobicContact CE1-CB 4.24Å; F28-Q61 HydrophobicContact CZ-CB 4.23Å; F28-A62 HydrophobicContact CD2-CB 4.12Å; F28-A62 HydrophobicContact CE2-CB 3.37Å; F28-A62 HydrophobicContact CZ-CB 4.06Å
29	G	54.6	Low	50.5	Low	38 Å²	38	105.3 Å²	105.3	39%	0.392	61%	0.608	S	S	.	*	G	3₁₀ helix	trans	-56.1	-28.3	175.9	0	0	0	0	0	114.1	E27 L32	E27-G29 PolarHBondContact O-N 3.38Å; G29-L32 PolarHBondContact O-N 3.44Å
30	S	58.3	Low	52.4	Low	57 Å²	57	101.6 Å²	101.6	40%	0.399	58%	0.58	S	S	.	*	G	3₁₀ helix	trans	-67.8	-35.7	177.2	58.5	0	0	0	0	113.4	E27 F28 L32 Q33	E27-S30 PolarHBondContact O-N 3.49Å; E27-S30 PolarHBondContact O-OG 3.46Å; F28-S30 PolarHBondContact O-N 3.09Å; F28-S30 VanDerWaalsContact O-N 3.16Å; S30-L32 VanDerWaalsContact C-N 3.26Å; S30-L32 PolarHBondContact O-N 3.15Å; S30-Q33 PolarHBondContact O-N 3.4Å
31	L	58.2	Low	53.9	Low	9 Å²	9	97.9 Å²	97.9	5%	0.047	55%	0.552	C	S	.	*	G	3₁₀ helix	trans	-69.7	-25.1	177.5	-68.8	171.2	0	0	0	112.3	F26 F28 Q33 I34 L40 A43 Y47	F26-L31 HydrophobicContact CE1-CG 4.32Å; F28-L31 HydrophobicContact CD2-CD1 4.08Å; F28-L31 HydrophobicContact CE2-CD1 4.37Å; F28-L31 PolarHBondContact O-N 2.77Å; F28-L31 VanDerWaalsContact O-N 3.12Å; L31-Q33 PolarHBondContact O-N 3.35Å; L31-I34 HydrophobicContact CD2-CD1 4.18Å; L31-L40 VanDerWaalsContact O-CD1 3.29Å; L31-L40 WeakPolarHBondContact O-CD1 2.99Å; L31-A43 HydrophobicContact CD2-CB 3.72Å; L31-Y47 HydrophobicContact CD1-CD1 4.48Å; L31-Y47 HydrophobicContact CD1-CD2 4.34Å; L31-Y47 HydrophobicContact CD1-CG 4.16Å
32	L	53	Low	55.8	Low	89 Å²	89	95.4 Å²	95.4	47%	0.466	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-76.3	-10.1	178.9	-64.7	174.7	0	0	0	113.5	F28 G29 S30	F28-L32 HydrophobicContact CD1-CD1 4.18Å; F28-L32 HydrophobicContact CD1-CG 4.44Å; F28-L32 HydrophobicContact CE1-CD1 3.85Å; F28-L32 HydrophobicContact CE1-CD2 4.03Å; F28-L32 HydrophobicContact CE1-CG 3.98Å; F28-L32 HydrophobicContact CZ-CD2 4.04Å; F28-L32 HydrophobicContact CZ-CG 4.32Å; G29-L32 PolarHBondContact O-N 3.44Å; S30-L32 VanDerWaalsContact C-N 3.26Å; S30-L32 PolarHBondContact O-N 3.15Å
33	Q	58.9	Low	57.3	Low	157 Å²	157	91.3 Å²	91.3	73%	0.734	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-95.5	-3.7	179.9	-62.2	-175.9	3.6	0	0	113.3	S30 L31 N35	S30-Q33 PolarHBondContact O-N 3.4Å; L31-Q33 PolarHBondContact O-N 3.35Å; Q33-N35 PolarHBondContact O-N 3.47Å
34	I	70.2	Confident	58.9	Low	55 Å²	55	82.8 Å²	82.8	28%	0.282	48%	0.475	S	S	.	.			trans	-85.8	107.7	179.2	-52.3	173.8	0	0	0	108.9	L31 A39 L40 A43	L31-I34 HydrophobicContact CD2-CD1 4.18Å; I34-A39 HydrophobicContact CG2-CB 3.98Å; I34-L40 HydrophobicContact CB-CB 4.23Å; I34-L40 HydrophobicContact CB-CD1 4.14Å; I34-L40 HydrophobicContact CG2-CB 3.88Å; I34-A43 HydrophobicContact CD1-CB 4.01Å
35	N	62.3	Low	60.3	Low	162 Å²	162	79.3 Å²	79.3	87%	0.866	45%	0.451	S	S	*	.			trans	-88.4	-14.7	-178.5	-68.9	-29.5	0	0	0	113.6	Q33	Q33-N35 PolarHBondContact O-N 3.47Å
36	E	74.3	Confident	61.6	Low	147 Å²	147	81 Å²	81	69%	0.687	45%	0.449	S	S	*	.			trans	-89	119	178.5	-121.9	-175.6	177.4	0	0	110.8	A38 A39 L40	E36-A38 PolarHBondContact O-N 3.18Å; E36-A39 HydrophobicContact CB-CB 4.19Å; E36-A39 PolarHBondContact O-N 3.45Å; E36-L40 WeakPolarHBondContact O-CB 3.37Å; E36-L40 PolarHBondContact O-N 2.77Å
37	E	61.9	Low	62.3	Low	136 Å²	136	76.1 Å²	76.1	64%	0.636	43%	0.427	S	S	*	.	H	α-helix	trans	-62	-40.8	-169.5	-164.2	171	-167	0	0	112.8	L40 T41	E37-L40 PolarHBondContact O-N 3.45Å; E37-T41 WeakPolarHBondContact O-CB 3.46Å; E37-T41 PolarHBondContact O-N 2.79Å; E37-T41 PolarHBondContact O-OG1 3.39Å
38	A	64.4	Low	62.9	Low	81 Å²	81	69.8 Å²	69.8	67%	0.669	40%	0.398	S	S	*	.	H	α-helix	trans	-67	-40	178.8	0	0	0	0	0	112.9	E36 T41 A42	E36-A38 PolarHBondContact O-N 3.18Å; A38-T41 PolarHBondContact O-N 3.49Å; A38-A42 PolarHBondContact O-N 3.42Å; A38-A42 VanDerWaalsContact O-N 3.11Å
39	A	67.3	Low	63.2	Low	44 Å²	44	70.6 Å²	70.6	36%	0.364	41%	0.408	S	S	.	.	H	α-helix	trans	-70.8	-39.3	177.6	0	0	0	0	0	111.3	I34 E36 A42 A43	I34-A39 HydrophobicContact CG2-CB 3.98Å; E36-A39 HydrophobicContact CB-CB 4.19Å; E36-A39 PolarHBondContact O-N 3.45Å; A39-A42 PolarHBondContact O-N 2.94Å; A39-A43 WeakPolarHBondContact O-CB 3.23Å; A39-A43 PolarHBondContact O-N 2.79Å
40	L	67.1	Low	63.4	Low	30 Å²	30	73.3 Å²	73.3	16%	0.157	42%	0.421	C	S	.	.	H	α-helix	trans	-62.1	-44.3	174.3	178.8	62.2	0	0	0	110.9	L31 I34 E36 E37 A43 L44	L31-L40 VanDerWaalsContact O-CD1 3.29Å; L31-L40 WeakPolarHBondContact O-CD1 2.99Å; I34-L40 HydrophobicContact CB-CB 4.23Å; I34-L40 HydrophobicContact CB-CD1 4.14Å; I34-L40 HydrophobicContact CG2-CB 3.88Å; E36-L40 WeakPolarHBondContact O-CB 3.37Å; E36-L40 PolarHBondContact O-N 2.77Å; E37-L40 PolarHBondContact O-N 3.45Å; L40-A43 PolarHBondContact O-N 3.07Å; L40-L44 HydrophobicContact CD1-CD1 3.62Å; L40-L44 HydrophobicContact CG-CD1 3.72Å; L40-L44 WeakPolarHBondContact O-CB 3Å; L40-L44 WeakPolarHBondContact O-CD1 3.26Å; L40-L44 PolarHBondContact O-N 3.01Å
41	T	62.1	Low	63.2	Low	39 Å²	39	74.6 Å²	74.6	24%	0.239	42%	0.417	C	S	.	.	H	α-helix	trans	-60.9	-44.7	176.8	-68.6	0	0	0	0	112.4	E37 A38 N45 H71	E37-T41 WeakPolarHBondContact O-CB 3.46Å; E37-T41 PolarHBondContact O-N 2.79Å; E37-T41 PolarHBondContact O-OG1 3.39Å; A38-T41 PolarHBondContact O-N 3.49Å; T41-N45 WeakPolarHBondContact O-CB 3.46Å; T41-N45 PolarHBondContact O-N 3.42Å; T41-H71 WeakPolarHBondContact CG2-CE1 3.41Å; T41-H71 WeakPolarHBondContact CG2-NE2 3.37Å; T41-H71 PolarHBondContact OG1-NE2 3.4Å
42	A	68.2	Low	62.8	Low	64 Å²	64	78.3 Å²	78.3	53%	0.529	44%	0.444	S	S	.	.	H	α-helix	trans	-63.7	-44.9	178.1	0	0	0	0	0	111.8	A38 A39 N45 D46	A38-A42 PolarHBondContact O-N 3.42Å; A38-A42 VanDerWaalsContact O-N 3.11Å; A39-A42 PolarHBondContact O-N 2.94Å; A42-N45 PolarHBondContact O-N 3.09Å; A42-D46 PolarHBondContact O-N 3.22Å; A42-D46 VanDerWaalsContact O-N 3.09Å
43	A	67.3	Low	62.9	Low	31 Å²	31	79.3 Å²	79.3	26%	0.256	44%	0.442	S	S	.	.	H	α-helix	trans	-65.9	-39	179.1	0	0	0	0	0	112.9	L31 I34 A39 L40 N45 Y47	L31-A43 HydrophobicContact CD2-CB 3.72Å; I34-A43 HydrophobicContact CD1-CB 4.01Å; A39-A43 WeakPolarHBondContact O-CB 3.23Å; A39-A43 PolarHBondContact O-N 2.79Å; L40-A43 PolarHBondContact O-N 3.07Å; A43-N45 VanDerWaalsContact C-N 3.35Å; A43-Y47 WeakPolarHBondContact O-CB 3.38Å; A43-Y47 PolarHBondContact O-N 3.14Å
44	L	62.9	Low	62.2	Low	13 Å²	13	80 Å²	80	7%	0.068	45%	0.45	C	S	.	.	H	α-helix	trans	-64.1	-39.4	173.2	-100.4	135.3	0	0	0	111.9	L40 L48 A62 A66	L40-L44 HydrophobicContact CD1-CD1 3.62Å; L40-L44 HydrophobicContact CG-CD1 3.72Å; L40-L44 WeakPolarHBondContact O-CB 3Å; L40-L44 WeakPolarHBondContact O-CD1 3.26Å; L40-L44 PolarHBondContact O-N 3.01Å; L44-L48 HydrophobicContact CD2-CD1 4.49Å; L44-L48 WeakPolarHBondContact O-CB 2.98Å; L44-L48 WeakPolarHBondContact O-CG 3.49Å; L44-L48 PolarHBondContact O-N 3.05Å; L44-A62 HydrophobicContact CD2-CB 4.26Å; L44-A66 HydrophobicContact CD2-CB 4.21Å
45	N	63.8	Low	60.9	Low	67 Å²	67	80.7 Å²	80.7	36%	0.358	46%	0.464	S	S	.	.	H	α-helix	trans	-67	-42	-179.3	-151.9	36.9	0	0	0	111.1	T41 A42 A43 L48 T49 H73	T41-N45 WeakPolarHBondContact O-CB 3.46Å; T41-N45 PolarHBondContact O-N 3.42Å; A42-N45 PolarHBondContact O-N 3.09Å; A43-N45 VanDerWaalsContact C-N 3.35Å; N45-L48 PolarHBondContact O-N 3.43Å; N45-T49 WeakPolarHBondContact O-CG2 3.37Å; N45-T49 PolarHBondContact O-N 2.96Å; N45-T49 VanDerWaalsContact O-N 3.08Å; N45-T49 PolarHBondContact O-OG1 2.81Å; N45-H73 PolarHBondContact OD1-CD2 3.25Å; N45-H73 VanDerWaalsContact OD1-CD2 3.23Å
46	D	66.4	Low	60.1	Low	120 Å²	120	76.7 Å²	76.7	64%	0.642	46%	0.461	S	S	*	.	H	α-helix	trans	-66.3	-44.7	177.7	-154.4	42.3	0	0	0	111.8	A42 L48 T49 S50	A42-D46 PolarHBondContact O-N 3.22Å; A42-D46 VanDerWaalsContact O-N 3.09Å; D46-L48 VanDerWaalsContact C-N 3.31Å; D46-L48 PolarHBondContact O-N 3.03Å; D46-T49 WeakPolarHBondContact CA-OG1 3.45Å; D46-T49 PolarHBondContact O-N 2.9Å; D46-T49 PolarHBondContact O-OG1 3.29Å; D46-S50 PolarHBondContact O-N 3Å
47	Y	65.4	Low	58.7	Low	33 Å²	33	76 Å²	76	13%	0.129	46%	0.456	C	S	.	.	H	α-helix	trans	-57.3	-40.8	174.3	178.1	-98.7	0	0	0	112.9	F26 L31 A43 S50 R51	F26-Y47 HydrophobicContact CD1-CD2 4.08Å; F26-Y47 HydrophobicContact CD1-CE2 4.24Å; L31-Y47 HydrophobicContact CD1-CD1 4.48Å; L31-Y47 HydrophobicContact CD1-CD2 4.34Å; L31-Y47 HydrophobicContact CD1-CG 4.16Å; A43-Y47 WeakPolarHBondContact O-CB 3.38Å; A43-Y47 PolarHBondContact O-N 3.14Å; Y47-S50 PolarHBondContact O-OG 3.39Å; Y47-R51 PolarHBondContact OH-NH2 3.33Å
48	L	60.7	Low	58.4	Low	30 Å²	30	72.3 Å²	72.3	16%	0.157	46%	0.455	C	S	.	.	H	α-helix	trans	-77	-25.9	-179.1	-68.6	172.7	0	0	0	112.6	L44 N45 D46 Y53 D63 A66	L44-L48 HydrophobicContact CD2-CD1 4.49Å; L44-L48 WeakPolarHBondContact O-CB 2.98Å; L44-L48 WeakPolarHBondContact O-CG 3.49Å; L44-L48 PolarHBondContact O-N 3.05Å; N45-L48 PolarHBondContact O-N 3.43Å; D46-L48 VanDerWaalsContact C-N 3.31Å; D46-L48 PolarHBondContact O-N 3.03Å; L48-Y53 WeakPolarHBondContact CD2-OH 3.49Å; L48-D63 VanDerWaalsContact CD2-OD1 3.23Å; L48-D63 WeakPolarHBondContact CD2-OD1 3.47Å; L48-A66 HydrophobicContact CD1-CB 3.97Å
49	T	60.9	Low	57.9	Low	81 Å²	81	73.8 Å²	73.8	50%	0.497	46%	0.458	S	S	.	.	H	α-helix	trans	-73.5	-27.1	174.3	43.9	0	0	0	0	113.9	N45 D46 R51	N45-T49 WeakPolarHBondContact O-CG2 3.37Å; N45-T49 PolarHBondContact O-N 2.96Å; N45-T49 VanDerWaalsContact O-N 3.08Å; N45-T49 PolarHBondContact O-OG1 2.81Å; D46-T49 WeakPolarHBondContact CA-OG1 3.45Å; D46-T49 PolarHBondContact O-N 2.9Å; D46-T49 PolarHBondContact O-OG1 3.29Å; T49-R51 VanDerWaalsContact C-N 3.32Å; T49-R51 PolarHBondContact O-N 3.32Å
50	S	56.9	Low	57.4	Low	95 Å²	95	73.4 Å²	73.4	66%	0.664	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-5.9	177.4	58	0	0	0	0	114.4	D46 Y47	D46-S50 PolarHBondContact O-N 3Å; Y47-S50 PolarHBondContact O-OG 3.39Å
51	R	55.8	Low	56.9	Low	84 Å²	84	78.5 Å²	78.5	32%	0.317	48%	0.476	S	S	.	.			trans	-92.7	121.6	175.7	-81.7	-145.9	-172.6	-139.5	9.2	111.8	Y47 T49 Y53	Y47-R51 PolarHBondContact OH-NH2 3.33Å; T49-R51 VanDerWaalsContact C-N 3.32Å; T49-R51 PolarHBondContact O-N 3.32Å; R51-Y53 HydrophobicContact CB-CD2 4.33Å; R51-Y53 HydrophobicContact CB-CE1 3.93Å; R51-Y53 HydrophobicContact CB-CE2 3.63Å; R51-Y53 WeakPolarHBondContact CB-OH 3.29Å; R51-Y53 WeakPolarHBondContact O-CD2 3.39Å; R51-Y53 WeakPolarHBondContact O-CE2 3.41Å
52	S	49.6	Very low	56.8	Low	86 Å²	86	76.7 Å²	76.7	60%	0.601	47%	0.465	S	S	*	.			trans	-85.2	111.4	164.7	179.9	0	0	0	0	109.7	L54	S52-L54 VanDerWaalsContact C-N 3.25Å; S52-L54 PolarHBondContact O-N 3.06Å
53	Y	54.7	Low	56.3	Low	110 Å²	110	75.5 Å²	75.5	43%	0.431	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-86	16.4	-176.5	-62	-81.2	0	0	0	114.4	L48 R51 A55	L48-Y53 WeakPolarHBondContact CD2-OH 3.49Å; R51-Y53 HydrophobicContact CB-CD2 4.33Å; R51-Y53 HydrophobicContact CB-CE1 3.93Å; R51-Y53 HydrophobicContact CB-CE2 3.63Å; R51-Y53 WeakPolarHBondContact CB-OH 3.29Å; R51-Y53 WeakPolarHBondContact O-CD2 3.39Å; R51-Y53 WeakPolarHBondContact O-CE2 3.41Å; Y53-A55 PolarHBondContact O-N 3.32Å
54	L	44.6	Very low	56	Low	172 Å²	172	78.8 Å²	78.8	90%	0.901	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-81.2	3.1	172.9	-79.9	162.2	0	0	0	113.6	S52	S52-L54 VanDerWaalsContact C-N 3.25Å; S52-L54 PolarHBondContact O-N 3.06Å
55	A	42.1	Very low	55.8	Low	70 Å²	70	84.5 Å²	84.5	58%	0.579	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-108.9	21.4	-175.3	0	0	0	0	0	114.9	Y53 F57	Y53-A55 PolarHBondContact O-N 3.32Å; A55-F57 HydrophobicContact CB-CD2 4.09Å; A55-F57 HydrophobicContact CB-CE2 3.78Å; A55-F57 PolarHBondContact O-N 3.07Å
56	G	44.8	Very low	55.5	Low	78 Å²	78	81.7 Å²	81.7	80%	0.804	47%	0.469	S	S	*	.			trans	70.5	29.9	167.9	0	0	0	0	0	116.4
57	F	46.7	Very low	55	Low	131 Å²	131	80.1 Å²	80.1	58%	0.575	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-79.3	134.2	175.7	-69.9	-78.3	0	0	0	112.2	A55	A55-F57 HydrophobicContact CB-CD2 4.09Å; A55-F57 HydrophobicContact CB-CE2 3.78Å; A55-F57 PolarHBondContact O-N 3.07Å
58	G	54.4	Low	54.6	Low	60 Å²	60	89 Å²	89	62%	0.619	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-77.2	163.3	168.9	0	0	0	0	0	112.9	S60	G58-S60 PolarHBondContact O-N 3.1Å
59	P	53.7	Low	54.6	Low	111 Å²	111	91 Å²	91	72%	0.721	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-65.3	132.7	-173	24.6	-32	0	0	0	112.4
60	S	58.4	Low	54.2	Low	37 Å²	37	95 Å²	95	26%	0.259	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-90.3	166.8	171.8	75.5	0	0	0	0	111.7	G58 A62 D63 L64	G58-S60 PolarHBondContact O-N 3.1Å; S60-A62 PolarHBondContact O-N 3.44Å; S60-A62 WeakPolarHBondContact OG-CB 3.46Å; S60-A62 PolarHBondContact OG-N 2.92Å; S60-D63 WeakPolarHBondContact CA-OD2 3.39Å; S60-D63 WeakPolarHBondContact CB-OD2 3.49Å; S60-D63 PolarHBondContact N-OD2 3.02Å; S60-D63 WeakPolarHBondContact O-CB 3.42Å; S60-D63 PolarHBondContact O-N 2.91Å; S60-D63 VanDerWaalsContact O-N 3.14Å; S60-D63 PolarHBondContact OG-OD2 3.46Å; S60-L64 PolarHBondContact O-N 3.25Å
61	Q	56.5	Low	54.3	Low	137 Å²	137	92.9 Å²	92.9	64%	0.64	49%	0.493	S	S	*	.	H	α-helix	trans	-58.2	-28.3	172.7	-81.7	-94.1	-16.3	0	0	112.9	F28 R65	F28-Q61 HydrophobicContact CE1-CB 4.24Å; F28-Q61 HydrophobicContact CZ-CB 4.23Å; Q61-R65 PolarHBondContact O-N 3.11Å
62	A	58.2	Low	54.2	Low	1 Å²	1	95.2 Å²	95.2	1%	0.008	51%	0.51	C	S	.	.	H	α-helix	trans	-64.3	-45.1	175.4	0	0	0	0	0	111.5	F28 L44 S60 L64 R65 A66	F28-A62 HydrophobicContact CD2-CB 4.12Å; F28-A62 HydrophobicContact CE2-CB 3.37Å; F28-A62 HydrophobicContact CZ-CB 4.06Å; L44-A62 HydrophobicContact CD2-CB 4.26Å; S60-A62 PolarHBondContact O-N 3.44Å; S60-A62 WeakPolarHBondContact OG-CB 3.46Å; S60-A62 PolarHBondContact OG-N 2.92Å; A62-L64 VanDerWaalsContact C-N 3.32Å; A62-L64 PolarHBondContact O-N 3.36Å; A62-R65 PolarHBondContact O-N 3.5Å; A62-A66 PolarHBondContact O-N 3.41Å
63	D	58.8	Low	54.4	Low	38 Å²	38	94.8 Å²	94.8	20%	0.203	50%	0.498	C	S	.	.	H	α-helix	trans	-64.3	-39.8	-177.2	-56.8	-53.3	0	0	0	110.8	L48 S60 F67	L48-D63 VanDerWaalsContact CD2-OD1 3.23Å; L48-D63 WeakPolarHBondContact CD2-OD1 3.47Å; S60-D63 WeakPolarHBondContact CA-OD2 3.39Å; S60-D63 WeakPolarHBondContact CB-OD2 3.49Å; S60-D63 PolarHBondContact N-OD2 3.02Å; S60-D63 WeakPolarHBondContact O-CB 3.42Å; S60-D63 PolarHBondContact O-N 2.91Å; S60-D63 VanDerWaalsContact O-N 3.14Å; S60-D63 PolarHBondContact OG-OD2 3.46Å; D63-F67 WeakPolarHBondContact O-CB 3.33Å; D63-F67 PolarHBondContact O-N 3.03Å
64	L	60.3	Low	54.3	Low	101 Å²	101	90.4 Å²	90.4	53%	0.529	49%	0.485	S	S	.	.	H	α-helix	trans	-67	-36	176.7	-70.7	168.8	0	0	0	113.1	S60 A62 R68	S60-L64 PolarHBondContact O-N 3.25Å; A62-L64 VanDerWaalsContact C-N 3.32Å; A62-L64 PolarHBondContact O-N 3.36Å; L64-R68 PolarHBondContact O-N 3.14Å
65	R	58.8	Low	54.6	Low	133 Å²	133	86.4 Å²	86.4	50%	0.502	46%	0.464	S	S	.	.	H	α-helix	trans	-72.3	-44.4	175.2	-94.7	-174.3	177.8	-174.7	-0.5	112	Q61 A62 F67 R68 L69	Q61-R65 PolarHBondContact O-N 3.11Å; A62-R65 PolarHBondContact O-N 3.5Å; R65-F67 PolarHBondContact O-N 2.9Å; R65-R68 PolarHBondContact O-N 3.4Å; R65-R68 VanDerWaalsContact O-N 3.14Å; R65-L69 PolarHBondContact O-N 3.23Å
66	A	58.6	Low	55.3	Low	8 Å²	8	91.8 Å²	91.8	7%	0.066	47%	0.469	C	S	.	.	H	α-helix	trans	-58.9	-34.9	175.1	0	0	0	0	0	112	L44 L48 A62 L69	L44-A66 HydrophobicContact CD2-CB 4.21Å; L48-A66 HydrophobicContact CD1-CB 3.97Å; A62-A66 PolarHBondContact O-N 3.41Å; A66-L69 PolarHBondContact O-N 3.38Å
67	F	55.4	Low	55.9	Low	87 Å²	87	94.6 Å²	94.6	38%	0.382	46%	0.455	S	S	.	.	H	α-helix	trans	-62.7	-39.6	176.2	-136.2	-95.1	0	0	0	113.5	D63 R65 L69 A74 W77 Y78	D63-F67 WeakPolarHBondContact O-CB 3.33Å; D63-F67 PolarHBondContact O-N 3.03Å; R65-F67 PolarHBondContact O-N 2.9Å; F67-L69 VanDerWaalsContact C-N 3.29Å; F67-L69 PolarHBondContact O-N 3.26Å; F67-A74 HydrophobicContact CD2-CB 3.98Å; F67-A74 HydrophobicContact CE2-CB 4.15Å; F67-W77 HydrophobicContact CD2-CE3 4.49Å; F67-W77 HydrophobicContact CD2-CZ3 4.48Å; F67-W77 HydrophobicContact CE2-CD2 4.36Å; F67-W77 AromaticContact CE2-CE3 3.33Å; F67-W77 HydrophobicContact CE2-CE3 3.33Å; F67-W77 HydrophobicContact CE2-CH2 4.49Å; F67-W77 AromaticContact CE2-CZ3 3.4Å; F67-W77 HydrophobicContact CE2-CZ3 3.4Å; F67-W77 VanDerWaalsContact CE2-CZ3 3.4Å; F67-W77 AromaticContact CZ-CE3 3.71Å; F67-W77 HydrophobicContact CZ-CE3 3.71Å; F67-W77 AromaticContact CZ-CZ3 3.53Å; F67-W77 HydrophobicContact CZ-CZ3 3.53Å; F67-Y78 HydrophobicContact CE1-CD2 4.41Å; F67-Y78 AromaticContact CZ-CD2 3.98Å; F67-Y78 HydrophobicContact CZ-CD2 3.98Å
68	R	57.5	Low	56.2	Low	220 Å²	220	94.5 Å²	94.5	83%	0.83	45%	0.452	S	S	*	.	H	α-helix	trans	-71.3	-24.9	179.7	-72.6	-177	-176.9	177.6	1.5	113	L64 R65	L64-R68 PolarHBondContact O-N 3.14Å; R65-R68 PolarHBondContact O-N 3.4Å; R65-R68 VanDerWaalsContact O-N 3.14Å
69	L	59	Low	56.2	Low	71 Å²	71	100.8 Å²	100.8	37%	0.372	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	7.2	-177.4	-63.9	169.3	0	0	0	113.8	R65 A66 F67 H71	R65-L69 PolarHBondContact O-N 3.23Å; A66-L69 PolarHBondContact O-N 3.38Å; F67-L69 VanDerWaalsContact C-N 3.29Å; F67-L69 PolarHBondContact O-N 3.26Å; L69-H71 VanDerWaalsContact C-N 3.29Å; L69-H71 WeakPolarHBondContact CB-NE2 3.41Å; L69-H71 PolarHBondContact O-N 3.23Å
70	Q	54.3	Low	56.2	Low	164 Å²	164	101.4 Å²	101.4	77%	0.766	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	35	173.9	-64.2	-171.3	-8.7	0	0	115.8
71	H	59	Low	56	Low	52 Å²	52	101.8 Å²	101.8	24%	0.241	45%	0.449	C	S	.	.			trans	-72.5	148.7	178.6	-64	-49.2	0	0	0	112.9	T41 L69 H73 A74 L75	T41-H71 WeakPolarHBondContact CG2-CE1 3.41Å; T41-H71 WeakPolarHBondContact CG2-NE2 3.37Å; T41-H71 PolarHBondContact OG1-NE2 3.4Å; L69-H71 VanDerWaalsContact C-N 3.29Å; L69-H71 WeakPolarHBondContact CB-NE2 3.41Å; L69-H71 PolarHBondContact O-N 3.23Å; H71-H73 PolarHBondContact O-N 3.48Å; H71-A74 WeakPolarHBondContact O-CB 3.43Å; H71-A74 PolarHBondContact O-N 2.79Å; H71-L75 PolarHBondContact O-N 3.42Å
72	I	53.8	Low	55.7	Low	132 Å²	132	97.1 Å²	97.1	68%	0.677	43%	0.431	S	S	*	.	H	α-helix	trans	-53	-31	-170	-66.5	170.5	0	0	0	113.5	L75 R76	I72-L75 WeakPolarHBondContact O-CB 3.49Å; I72-L75 PolarHBondContact O-N 2.64Å; I72-R76 PolarHBondContact O-N 3.4Å; I72-R76 VanDerWaalsContact O-N 3.07Å
73	H	53.3	Low	55.5	Low	78 Å²	78	99.9 Å²	99.9	36%	0.361	45%	0.454	S	S	.	.	H	α-helix	trans	-73.8	-34	177.6	-77.5	-88.9	0	0	0	113.5	N45 H71 L75 R76 W77	N45-H73 PolarHBondContact OD1-CD2 3.25Å; N45-H73 VanDerWaalsContact OD1-CD2 3.23Å; H71-H73 PolarHBondContact O-N 3.48Å; H73-L75 VanDerWaalsContact C-N 3.3Å; H73-L75 PolarHBondContact O-N 3.03Å; H73-R76 PolarHBondContact O-N 3.33Å; H73-W77 PolarHBondContact O-N 3.39Å
74	A	52.3	Low	55.2	Low	18 Å²	18	102.6 Å²	102.6	15%	0.149	47%	0.468	C	S	.	.	H	α-helix	trans	-67.3	-33.3	171.5	0	0	0	0	0	111.4	F67 H71 W77 Y78	F67-A74 HydrophobicContact CD2-CB 3.98Å; F67-A74 HydrophobicContact CE2-CB 4.15Å; H71-A74 WeakPolarHBondContact O-CB 3.43Å; H71-A74 PolarHBondContact O-N 2.79Å; A74-W77 PolarHBondContact O-N 3.36Å; A74-Y78 WeakPolarHBondContact O-CB 3.49Å; A74-Y78 PolarHBondContact O-N 3.04Å
75	L	51.4	Low	54.5	Low	88 Å²	88	103.8 Å²	103.8	46%	0.461	47%	0.471	S	S	.	.	H	α-helix	trans	-67.9	-37.3	172.8	-99.5	149	0	0	0	113.1	H71 I72 H73 R79	H71-L75 PolarHBondContact O-N 3.42Å; I72-L75 WeakPolarHBondContact O-CB 3.49Å; I72-L75 PolarHBondContact O-N 2.64Å; H73-L75 VanDerWaalsContact C-N 3.3Å; H73-L75 PolarHBondContact O-N 3.03Å; L75-R79 WeakPolarHBondContact O-CB 3.47Å; L75-R79 WeakPolarHBondContact O-CG 3.45Å; L75-R79 PolarHBondContact O-N 3.09Å
76	R	55.4	Low	53.9	Low	182 Å²	182	104.1 Å²	104.1	69%	0.687	48%	0.479	S	S	*	.	H	α-helix	trans	-64.1	-43.1	170.9	-94.4	-176.5	171.2	178.6	-1.2	111.7	I72 H73 H80	I72-R76 PolarHBondContact O-N 3.4Å; I72-R76 VanDerWaalsContact O-N 3.07Å; H73-R76 PolarHBondContact O-N 3.33Å; R76-H80 WeakPolarHBondContact O-CB 3.39Å; R76-H80 PolarHBondContact O-N 3.28Å
77	W	57.8	Low	53.2	Low	137 Å²	137	106.7 Å²	106.7	52%	0.519	49%	0.491	S	S	.	.	H	α-helix	trans	-65.6	-45.2	175.3	-176.2	89.3	0	0	0	112	F67 H73 A74 R79 H80 I81	F67-W77 HydrophobicContact CD2-CE3 4.49Å; F67-W77 HydrophobicContact CD2-CZ3 4.48Å; F67-W77 HydrophobicContact CE2-CD2 4.36Å; F67-W77 AromaticContact CE2-CE3 3.33Å; F67-W77 HydrophobicContact CE2-CE3 3.33Å; F67-W77 HydrophobicContact CE2-CH2 4.49Å; F67-W77 AromaticContact CE2-CZ3 3.4Å; F67-W77 HydrophobicContact CE2-CZ3 3.4Å; F67-W77 VanDerWaalsContact CE2-CZ3 3.4Å; F67-W77 AromaticContact CZ-CE3 3.71Å; F67-W77 HydrophobicContact CZ-CE3 3.71Å; F67-W77 AromaticContact CZ-CZ3 3.53Å; F67-W77 HydrophobicContact CZ-CZ3 3.53Å; H73-W77 PolarHBondContact O-N 3.39Å; A74-W77 PolarHBondContact O-N 3.36Å; W77-R79 VanDerWaalsContact C-N 3.34Å; W77-R79 PolarHBondContact O-N 3.5Å; W77-H80 CarbonylContact O-C 3.59Å; W77-H80 WeakPolarHBondContact O-CB 3.41Å; W77-H80 PolarHBondContact O-N 3.19Å; W77-I81 HydrophobicContact CD2-CG1 3.63Å; W77-I81 VanDerWaalsContact CE2-CG1 3.43Å; W77-I81 HydrophobicContact CE3-CB 4.5Å; W77-I81 HydrophobicContact CE3-CG1 3.92Å; W77-I81 HydrophobicContact CG-CG1 4.24Å; W77-I81 HydrophobicContact CH2-CD1 4.4Å; W77-I81 HydrophobicContact CH2-CG1 3.97Å; W77-I81 HydrophobicContact CZ2-CD1 3.79Å; W77-I81 HydrophobicContact CZ2-CG1 3.63Å; W77-I81 HydrophobicContact CZ3-CG1 4.09Å; W77-I81 WeakPolarHBondContact O-CB 3.18Å; W77-I81 WeakPolarHBondContact O-CG1 3.23Å; W77-I81 PolarHBondContact O-N 3.05Å
78	Y	52.8	Low	52.8	Low	130 Å²	130	109.2 Å²	109.2	51%	0.51	51%	0.508	S	S	.	.	H	α-helix	trans	-62.8	-40	177.3	-170	-97.3	0	0	0	111.5	F67 A74 H80 S82	F67-Y78 HydrophobicContact CE1-CD2 4.41Å; F67-Y78 AromaticContact CZ-CD2 3.98Å; F67-Y78 HydrophobicContact CZ-CD2 3.98Å; A74-Y78 WeakPolarHBondContact O-CB 3.49Å; A74-Y78 PolarHBondContact O-N 3.04Å; Y78-H80 VanDerWaalsContact C-N 3.32Å; Y78-H80 PolarHBondContact O-N 3.08Å; Y78-S82 WeakPolarHBondContact O-CA 3.2Å; Y78-S82 WeakPolarHBondContact O-CB 3.35Å; Y78-S82 PolarHBondContact O-N 3.33Å
79	R	53.9	Low	52.1	Low	191 Å²	191	103 Å²	103	72%	0.721	50%	0.498	S	S	*	.	H	α-helix	trans	-63.5	-37	172.4	-78.3	-178.4	172.5	-179.1	-1	112.5	L75 W77 A83	L75-R79 WeakPolarHBondContact O-CB 3.47Å; L75-R79 WeakPolarHBondContact O-CG 3.45Å; L75-R79 PolarHBondContact O-N 3.09Å; W77-R79 VanDerWaalsContact C-N 3.34Å; W77-R79 PolarHBondContact O-N 3.5Å; R79-A83 VanDerWaalsContact O-CB 3.23Å; R79-A83 WeakPolarHBondContact O-CB 3.35Å; R79-A83 PolarHBondContact O-N 3.39Å; R79-A83 VanDerWaalsContact O-N 3.09Å
80	H	53.8	Low	51.6	Low	124 Å²	124	106.4 Å²	106.4	57%	0.574	52%	0.522	S	S	*	.	H	α-helix	trans	-71.7	-44.4	178	-165.4	64.6	0	0	0	112.3	R76 W77 Y78 A83 L84	R76-H80 WeakPolarHBondContact O-CB 3.39Å; R76-H80 PolarHBondContact O-N 3.28Å; W77-H80 CarbonylContact O-C 3.59Å; W77-H80 WeakPolarHBondContact O-CB 3.41Å; W77-H80 PolarHBondContact O-N 3.19Å; Y78-H80 VanDerWaalsContact C-N 3.32Å; Y78-H80 PolarHBondContact O-N 3.08Å; H80-A83 PolarHBondContact O-N 3Å; H80-L84 VanDerWaalsContact O-CG 3.29Å; H80-L84 WeakPolarHBondContact O-CG 3.34Å; H80-L84 PolarHBondContact O-N 3.16Å; H80-L84 VanDerWaalsContact O-N 3.09Å
81	I	54.3	Low	51.3	Low	46 Å²	46	106.8 Å²	106.8	24%	0.236	53%	0.529	C	S	.	.	H	α-helix	trans	-70.2	-40.3	176.9	-66.4	-78.1	0	0	0	111.5	W77 A83 L84 Q85	W77-I81 HydrophobicContact CD2-CG1 3.63Å; W77-I81 VanDerWaalsContact CE2-CG1 3.43Å; W77-I81 HydrophobicContact CE3-CB 4.5Å; W77-I81 HydrophobicContact CE3-CG1 3.92Å; W77-I81 HydrophobicContact CG-CG1 4.24Å; W77-I81 HydrophobicContact CH2-CD1 4.4Å; W77-I81 HydrophobicContact CH2-CG1 3.97Å; W77-I81 HydrophobicContact CZ2-CD1 3.79Å; W77-I81 HydrophobicContact CZ2-CG1 3.63Å; W77-I81 HydrophobicContact CZ3-CG1 4.09Å; W77-I81 WeakPolarHBondContact O-CB 3.18Å; W77-I81 WeakPolarHBondContact O-CG1 3.23Å; W77-I81 PolarHBondContact O-N 3.05Å; I81-A83 VanDerWaalsContact C-N 3.3Å; I81-A83 PolarHBondContact O-N 2.74Å; I81-L84 CarbonylContact O-C 3.59Å; I81-L84 WeakPolarHBondContact O-CA 3.29Å; I81-L84 WeakPolarHBondContact O-CB 3.42Å; I81-L84 PolarHBondContact O-N 3.44Å; I81-Q85 HydrophobicContact CG2-CG 4.38Å; I81-Q85 WeakPolarHBondContact O-CB 3.4Å; I81-Q85 PolarHBondContact O-N 3.31Å
82	S	51.5	Low	50.4	Low	38 Å²	38	107 Å²	107	27%	0.266	55%	0.546	S	S	.	.	H	α-helix	trans	-66.4	-34.8	177.5	-164.3	0	0	0	0	111.2	Y78 L84 Q85 Q86	Y78-S82 WeakPolarHBondContact O-CA 3.2Å; Y78-S82 WeakPolarHBondContact O-CB 3.35Å; Y78-S82 PolarHBondContact O-N 3.33Å; S82-L84 VanDerWaalsContact C-N 3.34Å; S82-Q85 PolarHBondContact O-N 3.08Å; S82-Q86 PolarHBondContact O-N 2.89Å
83	A	53.5	Low	50.2	Low	59 Å²	59	106.3 Å²	106.3	49%	0.488	55%	0.553	S	S	.	*	H	α-helix	trans	-65.9	-33.4	168.9	0	0	0	0	0	112.9	R79 H80 I81	R79-A83 VanDerWaalsContact O-CB 3.23Å; R79-A83 WeakPolarHBondContact O-CB 3.35Å; R79-A83 PolarHBondContact O-N 3.39Å; R79-A83 VanDerWaalsContact O-N 3.09Å; H80-A83 PolarHBondContact O-N 3Å; I81-A83 VanDerWaalsContact C-N 3.3Å; I81-A83 PolarHBondContact O-N 2.74Å
84	L	51.3	Low	49.7	Very low	96 Å²	96	107.5 Å²	107.5	50%	0.503	56%	0.559	S	S	.	*	H	α-helix	trans	-78.7	-24.5	174.9	-69.7	166.2	0	0	0	113.5	H80 I81 S82 D87	H80-L84 VanDerWaalsContact O-CG 3.29Å; H80-L84 WeakPolarHBondContact O-CG 3.34Å; H80-L84 PolarHBondContact O-N 3.16Å; H80-L84 VanDerWaalsContact O-N 3.09Å; I81-L84 CarbonylContact O-C 3.59Å; I81-L84 WeakPolarHBondContact O-CA 3.29Å; I81-L84 WeakPolarHBondContact O-CB 3.42Å; I81-L84 PolarHBondContact O-N 3.44Å; S82-L84 VanDerWaalsContact C-N 3.34Å; L84-D87 WeakPolarHBondContact O-CB 3.33Å
85	Q	46.1	Very low	49.5	Very low	125 Å²	125	116.6 Å²	116.6	58%	0.584	60%	0.596	S	S	*	*	H	α-helix	trans	-89.3	-28.3	-179.8	-85	-176.2	-30.3	0	0	113.9	I81 S82 D87 L88	I81-Q85 HydrophobicContact CG2-CG 4.38Å; I81-Q85 WeakPolarHBondContact O-CB 3.4Å; I81-Q85 PolarHBondContact O-N 3.31Å; S82-Q85 PolarHBondContact O-N 3.08Å; Q85-D87 PolarHBondContact O-N 3.32Å; Q85-D87 VanDerWaalsContact O-N 3.1Å; Q85-L88 PolarHBondContact O-N 2.73Å; Q85-L88 VanDerWaalsContact O-N 3.11Å
86	Q	46.7	Very low	49.8	Very low	141 Å²	141	115.7 Å²	115.7	66%	0.659	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-60.5	-15.5	167.8	-79.3	-175.7	-12.6	0	0	112.6	S82 L88	S82-Q86 PolarHBondContact O-N 2.89Å; Q86-L88 VanDerWaalsContact C-N 3.29Å; Q86-L88 PolarHBondContact O-N 3.16Å
87	D	44.7	Very low	49.8	Very low	61 Å²	61	111.9 Å²	111.9	33%	0.326	60%	0.596	S	S	.	*	G	3₁₀ helix	trans	-79.6	-1.5	176.1	-104.7	-8.9	0	0	0	114.6	L84 Q85 M94 K97	L84-D87 WeakPolarHBondContact O-CB 3.33Å; Q85-D87 PolarHBondContact O-N 3.32Å; Q85-D87 VanDerWaalsContact O-N 3.1Å; D87-M94 VanDerWaalsContact OD1-CE 3.26Å; D87-M94 WeakPolarHBondContact OD1-CE 3.35Å; D87-M94 VanDerWaalsContact OD1-SD 3.4Å; D87-K97 VanDerWaalsContact CG-NZ 3.3Å; D87-K97 PolarHBondContact O-NZ 3.05Å; D87-K97 WeakPolarHBondContact OD1-CE 3.38Å; D87-K97 IonicContact OD1-NZ 3.19Å; D87-K97 PolarHBondContact OD1-NZ 2.96Å; D87-K97 WeakPolarHBondContact OD2-CE 3.49Å; D87-K97 IonicContact OD2-NZ 3.13Å
88	L	46.1	Very low	49.8	Very low	141 Å²	141	117.3 Å²	117.3	74%	0.738	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-114.4	-3.7	-176.4	-72.8	167.3	0	0	0	115.1	Q85 Q86	Q85-L88 PolarHBondContact O-N 2.73Å; Q85-L88 VanDerWaalsContact O-N 3.11Å; Q86-L88 VanDerWaalsContact C-N 3.29Å; Q86-L88 PolarHBondContact O-N 3.16Å
89	S	41.9	Very low	50.7	Low	90 Å²	90	117 Å²	117	63%	0.629	63%	0.628	S	S	*	*			trans	-88.2	109.5	172.4	55.6	0	0	0	0	110.9	D91	S89-D91 PolarHBondContact O-N 3.1Å; S89-D91 VanDerWaalsContact O-N 3.16Å
90	T	49.2	Very low	51.7	Low	142 Å²	142	115.8 Å²	115.8	87%	0.871	63%	0.63	S	S	*	*			trans	-71.6	92.5	174.4	47	0	0	0	0	111.4
91	D	47.9	Very low	53	Low	171 Å²	171	114.8 Å²	114.8	91%	0.914	64%	0.635	S	S	*	*			trans	-173.5	121.2	130.8	-144.3	-9.6	0	0	0	109.3	S89	S89-D91 PolarHBondContact O-N 3.1Å; S89-D91 VanDerWaalsContact O-N 3.16Å
92	G	40	Very low	54.3	Low	57 Å²	57	118.7 Å²	118.7	59%	0.588	66%	0.663	S	S	*	*	S	Bend	trans	130.7	100.1	179.5	0	0	0	0	0	114.4	M94	G92-M94 PolarHBondContact O-N 3.12Å
93	S	50.4	Low	56	Low	118 Å²	118	126.7 Å²	126.7	83%	0.825	69%	0.688	S	S	*	*			trans	-9.4	86.7	162.9	169.5	0	0	0	0	116.3	K95	S93-K95 PolarHBondContact O-N 2.99Å; S93-K95 VanDerWaalsContact O-N 3.14Å
94	M	42.2	Very low	57.6	Low	102 Å²	102	128.2 Å²	128.2	50%	0.502	69%	0.694	S	S	.	*			trans	-80.5	88	168.2	-70.8	-153.9	174.7	0	0	110.7	D87 G92 G96 K97	D87-M94 VanDerWaalsContact OD1-CE 3.26Å; D87-M94 WeakPolarHBondContact OD1-CE 3.35Å; D87-M94 VanDerWaalsContact OD1-SD 3.4Å; G92-M94 PolarHBondContact O-N 3.12Å; M94-G96 PolarHBondContact O-N 2.77Å; M94-K97 HydrophobicContact SD-CD 4.21Å; M94-K97 HydrophobicContact SD-CG 4.43Å
95	K	48.4	Very low	59.1	Low	209 Å²	209	127.7 Å²	127.7	91%	0.909	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	106.4	152.8	-85	-174.5	176.7	177.9	0	107.6	S93	S93-K95 PolarHBondContact O-N 2.99Å; S93-K95 VanDerWaalsContact O-N 3.14Å
96	G	58.1	Low	60.9	Low	69 Å²	69	127 Å²	127	71%	0.711	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	125.6	18.6	154.9	0	0	0	0	0	119.2	M94 R98	M94-G96 PolarHBondContact O-N 2.77Å; G96-R98 PolarHBondContact O-N 3.14Å; G96-R98 VanDerWaalsContact O-N 3.15Å
97	K	54.2	Low	62.6	Low	102 Å²	102	125 Å²	125	44%	0.443	71%	0.711	S	S	.	*			trans	-67.8	110.2	156.4	-82.3	-178.1	178.1	173.4	0	107.6	D87 M94 V99	D87-K97 VanDerWaalsContact CG-NZ 3.3Å; D87-K97 PolarHBondContact O-NZ 3.05Å; D87-K97 WeakPolarHBondContact OD1-CE 3.38Å; D87-K97 IonicContact OD1-NZ 3.19Å; D87-K97 PolarHBondContact OD1-NZ 2.96Å; D87-K97 WeakPolarHBondContact OD2-CE 3.49Å; D87-K97 IonicContact OD2-NZ 3.13Å; M94-K97 HydrophobicContact SD-CD 4.21Å; M94-K97 HydrophobicContact SD-CG 4.43Å; K97-V99 HydrophobicContact CB-CG2 4.43Å; K97-V99 PolarHBondContact O-N 2.91Å
98	R	58.2	Low	63.7	Low	252 Å²	252	125.9 Å²	125.9	95%	0.951	73%	0.734	S	S	*	*			trans	-65.7	87.5	170.1	-73.1	-172.9	-167.2	-165.1	3.7	108	G96	G96-R98 PolarHBondContact O-N 3.14Å; G96-R98 VanDerWaalsContact O-N 3.15Å
99	V	72.2	Confident	65	Low	122 Å²	122	125 Å²	125	74%	0.739	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-74.7	127.1	168.9	-173.2	0	0	0	0	106.7	K97	K97-V99 HydrophobicContact CB-CG2 4.43Å; K97-V99 PolarHBondContact O-N 2.91Å
100	Q	75.2	Confident	66.6	Low	167 Å²	167	129.9 Å²	129.9	78%	0.78	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-57.5	125.9	172.5	-174.9	177.2	4.7	0	0	107.8
101	P	81.4	Confident	68.3	Low	102 Å²	102	128.1 Å²	128.1	66%	0.662	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-58.3	145.5	178	24.4	-32.9	0	0	0	109.5	W103	P101-W103 PolarHBondContact O-N 3.46Å; P101-W103 VanDerWaalsContact O-N 3.1Å
102	P	81.3	Confident	70.3	Confident	129 Å²	129	121.5 Å²	121.5	84%	0.838	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-57.9	120.6	176.9	24.2	-32.4	0	0	0	108.7	S104	P102-S104 PolarHBondContact O-N 2.89Å
103	W	87.6	Confident	72.8	Confident	206 Å²	206	125.3 Å²	125.3	78%	0.78	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-73.6	125	171.7	176.2	82.3	0	0	0	108.4	P101 P105	P101-W103 PolarHBondContact O-N 3.46Å; P101-W103 VanDerWaalsContact O-N 3.1Å; W103-P105 HydrophobicContact CH2-CB 3.89Å; W103-P105 HydrophobicContact CZ2-CB 4.3Å; W103-P105 HydrophobicContact CZ3-CB 4.38Å
104	S	85.6	Confident	75.1	Confident	90 Å²	90	120.1 Å²	120.1	63%	0.629	67%	0.668	S	S	*	*			trans	-108.6	139.5	167.4	57	0	0	0	0	109	P102	P102-S104 PolarHBondContact O-N 2.89Å
105	P	83.3	Confident	77.8	Confident	85 Å²	85	121 Å²	121	55%	0.552	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-59.6	148.7	169.1	27.3	-33.7	0	0	0	109.7	W103	W103-P105 HydrophobicContact CH2-CB 3.89Å; W103-P105 HydrophobicContact CZ2-CB 4.3Å; W103-P105 HydrophobicContact CZ3-CB 4.38Å
106	P	85.4	Confident	80.1	Confident	112 Å²	112	111.1 Å²	111.1	73%	0.727	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-53.8	145.5	169.7	-22	32.2	0	0	0	110.4	G108	P106-G108 PolarHBondContact O-N 3.08Å; P106-G108 VanDerWaalsContact O-N 3.08Å
107	A	80.4	Confident	82	Confident	98 Å²	98	110.5 Å²	110.5	81%	0.81	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-56	119.5	169.9	0	0	0	0	0	108.2	T109	A107-T109 PolarHBondContact O-N 3.32Å
108	G	68.1	Low	84	Confident	79 Å²	79	106 Å²	106	81%	0.814	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-58.4	130.6	179.8	0	0	0	0	0	110.1	P106	P106-G108 PolarHBondContact O-N 3.08Å; P106-G108 VanDerWaalsContact O-N 3.08Å
109	T	73.8	Confident	85.7	Confident	122 Å²	122	94.2 Å²	94.2	75%	0.748	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-84.4	146	168.1	45.9	0	0	0	0	109.2	A107 V111	A107-T109 PolarHBondContact O-N 3.32Å; T109-V111 PolarHBondContact O-N 3.27Å; T109-V111 VanDerWaalsContact O-N 3.14Å
110	Q	75.5	Confident	86.6	Confident	193 Å²	193	91.3 Å²	91.3	90%	0.902	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-63.5	117.5	169.6	-72.9	-173.1	0.6	0	0	108.4
111	V	84.3	Confident	87.4	Confident	106 Å²	106	86.4 Å²	86.4	64%	0.642	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-78.1	128.2	175.8	-172.7	0	0	0	0	107.8	T109 Q113	T109-V111 PolarHBondContact O-N 3.27Å; T109-V111 VanDerWaalsContact O-N 3.14Å; V111-Q113 PolarHBondContact O-N 3.32Å
112	P	90.9	Very high	88	Confident	32 Å²	32	85 Å²	85	21%	0.208	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-53.2	132.5	172.9	-25	34.3	0	0	0	110.6	W579 L583 C586	P112-W579 HydrophobicContact CG-CH2 3.45Å; P112-W579 VanDerWaalsContact CG-CH2 3.45Å; P112-W579 HydrophobicContact CG-CZ2 3.46Å; P112-W579 VanDerWaalsContact CG-CZ2 3.46Å; P112-W579 HydrophobicContact CG-CZ3 4.37Å; P112-L583 HydrophobicContact CB-CD2 3.87Å; P112-L583 HydrophobicContact CG-CD2 3.36Å; P112-C586 HydrophobicContact CB-CB 4.14Å
113	Q	93.5	Very high	88.7	Confident	136 Å²	136	82 Å²	82	64%	0.636	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-99.8	140.6	176.5	-67.7	-178.3	-9.2	0	0	109.5	V111 R115	V111-Q113 PolarHBondContact O-N 3.32Å; Q113-R115 PolarHBondContact O-N 2.98Å
114	L	97.4	Very high	89.1	Confident	10 Å²	10	76 Å²	76	5%	0.052	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-61.3	126.5	171	176.7	60.4	0	0	0	109.3	L116 F127 L166 F170 Y172 L585 C586 M589	L114-L116 HydrophobicContact CD1-CD2 3.96Å; L114-L116 HydrophobicContact CG-CD2 4.26Å; L114-F127 HydrophobicContact CB-CB 4.39Å; L114-F127 HydrophobicContact CD2-CB 4.12Å; L114-F127 HydrophobicContact CD2-CD1 3.77Å; L114-F127 HydrophobicContact CD2-CG 4.2Å; L114-F127 HydrophobicContact CG-CB 3.97Å; L114-F127 PolarHBondContact O-N 2.84Å; L114-L166 HydrophobicContact CD2-CD2 3.54Å; L114-F170 HydrophobicContact CB-CE1 4.24Å; L114-F170 HydrophobicContact CB-CZ 4.27Å; L114-F170 HydrophobicContact CD1-CE2 3.9Å; L114-F170 HydrophobicContact CD1-CZ 3.89Å; L114-F170 HydrophobicContact CD2-CD2 4.06Å; L114-F170 HydrophobicContact CD2-CE2 4.05Å; L114-F170 HydrophobicContact CD2-CG 4.39Å; L114-F170 HydrophobicContact CD2-CZ 4.38Å; L114-F170 HydrophobicContact CG-CE2 4.46Å; L114-F170 HydrophobicContact CG-CZ 4.41Å; L114-Y172 HydrophobicContact CD2-CE2 4.1Å; L114-L585 WeakPolarHBondContact CD1-O 3.36Å; L114-C586 CarbonylContact C-O 3.51Å; L114-C586 WeakPolarHBondContact CA-O 3.41Å; L114-M589 HydrophobicContact CD1-CG 4.02Å
115	R	98.2	Very high	89.7	Confident	121 Å²	121	74.8 Å²	74.8	46%	0.457	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.2	173.6	-69.2	-178.8	151.4	-156.1	-10	109.3	Q113 K124 E125 C586 N588	Q113-R115 PolarHBondContact O-N 2.98Å; R115-K124 HydrophobicContact CB-CB 4.34Å; R115-E125 CarbonylContact C-O 3.48Å; R115-E125 WeakPolarHBondContact CA-O 3.43Å; R115-C586 PolarHBondContact N-O 3.24Å; R115-N588 WeakPolarHBondContact O-CA 3.32Å; R115-N588 PolarHBondContact O-N 2.85Å
116	L	97.7	Very high	90.4	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.7	177.1	-60.5	-178.2	0	0	0	110.4	L114 N118 K124 E125 F127 L475 M589	L114-L116 HydrophobicContact CD1-CD2 3.96Å; L114-L116 HydrophobicContact CG-CD2 4.26Å; L116-N118 PolarHBondContact O-N 3.35Å; L116-N118 VanDerWaalsContact O-N 3.13Å; L116-K124 CarbonylContact O-C 3.59Å; L116-K124 WeakPolarHBondContact O-CA 3.4Å; L116-E125 PolarHBondContact N-O 2.53Å; L116-E125 PolarHBondContact O-N 3.23Å; L116-F127 HydrophobicContact CD1-CB 4.1Å; L116-F127 HydrophobicContact CD1-CD2 3.39Å; L116-F127 HydrophobicContact CD1-CE2 3.92Å; L116-F127 HydrophobicContact CD1-CG 3.78Å; L116-F127 HydrophobicContact CG-CB 4.01Å; L116-F127 HydrophobicContact CG-CD2 4.22Å; L116-F127 HydrophobicContact CG-CG 4.25Å; L116-L475 HydrophobicContact CB-CD2 4.27Å; L116-L475 HydrophobicContact CD1-CD2 4.47Å; L116-M589 HydrophobicContact CD1-CE 4.49Å; L116-M589 HydrophobicContact CD2-CE 3.47Å; L116-M589 VanDerWaalsContact CD2-CE 3.47Å; L116-M589 HydrophobicContact CD2-CG 4.09Å; L116-M589 HydrophobicContact CD2-SD 4.43Å
117	Y	97.4	Very high	91	Very high	57 Å²	57	67.8 Å²	67.8	22%	0.224	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	107.1	170.9	-177.7	-94.1	0	0	0	108.8	R122 T123 K124 K519 N588	Y117-R122 VanDerWaalsContact CE2-C 3.48Å; Y117-R122 WeakPolarHBondContact CE2-O 3.42Å; Y117-T123 WeakPolarHBondContact CA-O 3.33Å; Y117-K124 HydrophobicContact CD2-CG 4.39Å; Y117-K519 HydrophobicContact CD1-CD 4.2Å; Y117-K519 HydrophobicContact CG-CD 4.15Å; Y117-N588 VanDerWaalsContact CB-OD1 3.29Å; Y117-N588 WeakPolarHBondContact CB-OD1 3.35Å; Y117-N588 PolarHBondContact N-OD1 3.44Å
118	N	96.8	Very high	91.7	Very high	7 Å²	7	67.7 Å²	67.7	4%	0.037	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120.4	178	-172	-4	0	0	0	109	L116 L120 T121 R122 T123 E125 R472 Y473 F474	L116-N118 PolarHBondContact O-N 3.35Å; L116-N118 VanDerWaalsContact O-N 3.13Å; N118-L120 PolarHBondContact O-N 3.11Å; N118-L120 WeakPolarHBondContact OD1-CB 3.46Å; N118-L120 PolarHBondContact OD1-N 3.14Å; N118-L120 VanDerWaalsContact OD1-N 3.15Å; N118-T121 PolarHBondContact O-N 3.29Å; N118-T121 PolarHBondContact O-OG1 3.21Å; N118-R122 WeakPolarHBondContact O-CA 3.43Å; N118-R122 PolarHBondContact O-N 3.37Å; N118-T123 PolarHBondContact N-O 3.49Å; N118-E125 HydrophobicContact CB-CG 4.26Å; N118-R472 PolarHBondContact ND2-O 2.88Å; N118-Y473 HydrophobicContact CB-CD1 4.43Å; N118-F474 PolarHBondContact OD1-N 3.08Å
119	S	94.4	Very high	93.1	Very high	5 Å²	5	64.7 Å²	64.7	4%	0.035	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.1	-178.5	-55.7	0	0	0	0	113.2	R450 F474 H476	S119-R450 PolarHBondContact O-NH2 2.98Å; S119-F474 WeakPolarHBondContact CB-O 3.31Å; S119-F474 PolarHBondContact N-O 3.48Å; S119-F474 PolarHBondContact OG-O 3.03Å; S119-H476 WeakPolarHBondContact CB-ND1 3.38Å; S119-H476 PolarHBondContact OG-ND1 3.35Å
120	L	90.7	Very high	94.1	Very high	61 Å²	61	62.4 Å²	62.4	32%	0.319	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-49.7	176.6	-174.6	64.2	0	0	0	110.7	N118 V370 F371 F474	N118-L120 PolarHBondContact O-N 3.11Å; N118-L120 WeakPolarHBondContact OD1-CB 3.46Å; N118-L120 PolarHBondContact OD1-N 3.14Å; N118-L120 VanDerWaalsContact OD1-N 3.15Å; L120-V370 HydrophobicContact CD1-CB 3.99Å; L120-V370 HydrophobicContact CD1-CG2 3.61Å; L120-F371 HydrophobicContact CB-CE1 4.19Å; L120-F371 HydrophobicContact CD1-CE1 4.24Å; L120-F371 HydrophobicContact CD1-CZ 4.31Å; L120-F474 HydrophobicContact CB-CD2 4.34Å
121	T	92.8	Very high	94.9	Very high	63 Å²	63	61.1 Å²	61.1	39%	0.387	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-17.9	-179.3	64.1	0	0	0	0	113.3	N118 T123 E125	N118-T121 PolarHBondContact O-N 3.29Å; N118-T121 PolarHBondContact O-OG1 3.21Å; T121-T123 VanDerWaalsContact CB-OG1 3.25Å; T121-T123 WeakPolarHBondContact CB-OG1 3.41Å; T121-T123 PolarHBondContact O-N 2.88Å; T121-T123 PolarHBondContact OG1-N 3.44Å; T121-T123 PolarHBondContact OG1-OG1 2.65Å; T121-E125 HydrophobicContact CG2-CG 4.37Å
122	R	92.9	Very high	95.4	Very high	74 Å²	74	59.1 Å²	59.1	28%	0.279	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	25.9	-173.2	-50	-175.2	-175	111.6	2	113.2	Y117 N118 F371 R450	Y117-R122 VanDerWaalsContact CE2-C 3.48Å; Y117-R122 WeakPolarHBondContact CE2-O 3.42Å; N118-R122 WeakPolarHBondContact O-CA 3.43Å; N118-R122 PolarHBondContact O-N 3.37Å; R122-F371 VanDerWaalsContact NH2-C 3.31Å; R122-F371 PolarHBondContact NH2-O 3.48Å; R122-R450 VanDerWaalsContact NE-NH2 3.13Å
123	T	96.1	Very high	95.6	Very high	65 Å²	65	61.5 Å²	61.5	40%	0.399	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	163.8	-179.1	50	0	0	0	0	109.9	Y117 N118 T121 E125	Y117-T123 WeakPolarHBondContact CA-O 3.33Å; N118-T123 PolarHBondContact N-O 3.49Å; T121-T123 VanDerWaalsContact CB-OG1 3.25Å; T121-T123 WeakPolarHBondContact CB-OG1 3.41Å; T121-T123 PolarHBondContact O-N 2.88Å; T121-T123 PolarHBondContact OG1-N 3.44Å; T121-T123 PolarHBondContact OG1-OG1 2.65Å; T123-E125 PolarHBondContact OG1-OE1 2.87Å
124	K	97.1	Very high	95.8	Very high	79 Å²	79	59.3 Å²	59.3	34%	0.343	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	111.2	172	-64.5	-179.2	-179.2	176.6	0	108.9	R115 L116 Y117 D587 N588	R115-K124 HydrophobicContact CB-CB 4.34Å; L116-K124 CarbonylContact O-C 3.59Å; L116-K124 WeakPolarHBondContact O-CA 3.4Å; Y117-K124 HydrophobicContact CD2-CG 4.39Å; K124-D587 WeakPolarHBondContact CD-OD1 3.25Å; K124-D587 WeakPolarHBondContact CE-OD1 3.35Å; K124-D587 IonicContact NZ-OD1 3.64Å; K124-D587 PolarHBondContact NZ-OD1 3.25Å; K124-D587 IonicContact NZ-OD2 3.05Å; K124-D587 PolarHBondContact NZ-OD2 2.87Å; K124-N588 HydrophobicContact CD-CB 4.17Å
125	E	97.3	Very high	95.8	Very high	66 Å²	66	58.8 Å²	58.8	31%	0.308	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	145.1	-179.3	-64.1	-57.2	148.6	0	0	110.8	R115 L116 N118 T121 T123 F127 Y473	R115-E125 CarbonylContact C-O 3.48Å; R115-E125 WeakPolarHBondContact CA-O 3.43Å; L116-E125 PolarHBondContact N-O 2.53Å; L116-E125 PolarHBondContact O-N 3.23Å; N118-E125 HydrophobicContact CB-CG 4.26Å; T121-E125 HydrophobicContact CG2-CG 4.37Å; T123-E125 PolarHBondContact OG1-OE1 2.87Å; E125-F127 PolarHBondContact O-N 2.89Å; E125-Y473 HydrophobicContact CB-CE1 4.12Å
126	P	97.1	Very high	95.8	Very high	39 Å²	39	54 Å²	54	25%	0.253	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	131.8	167.4	-22	33.2	0	0	0	110.7	Y473	P126-Y473 WeakPolarHBondContact O-CE1 3.45Å; P126-Y473 PolarHBondContact O-OH 3.36Å
127	F	97.9	Very high	95.9	Very high	11 Å²	11	54 Å²	54	5%	0.048	29%	0.285	C	S	.	.			trans	-86.3	115.3	176.7	-178.3	-111.1	0	0	0	110.4	L114 L116 E125 P129 V135 L166 Y172 I442 Y473	L114-F127 HydrophobicContact CB-CB 4.39Å; L114-F127 HydrophobicContact CD2-CB 4.12Å; L114-F127 HydrophobicContact CD2-CD1 3.77Å; L114-F127 HydrophobicContact CD2-CG 4.2Å; L114-F127 HydrophobicContact CG-CB 3.97Å; L114-F127 PolarHBondContact O-N 2.84Å; L116-F127 HydrophobicContact CD1-CB 4.1Å; L116-F127 HydrophobicContact CD1-CD2 3.39Å; L116-F127 HydrophobicContact CD1-CE2 3.92Å; L116-F127 HydrophobicContact CD1-CG 3.78Å; L116-F127 HydrophobicContact CG-CB 4.01Å; L116-F127 HydrophobicContact CG-CD2 4.22Å; L116-F127 HydrophobicContact CG-CG 4.25Å; E125-F127 PolarHBondContact O-N 2.89Å; F127-P129 HydrophobicContact CD1-CG 4.45Å; F127-P129 HydrophobicContact CE1-CG 3.82Å; F127-P129 HydrophobicContact CZ-CG 4.18Å; F127-V135 HydrophobicContact CE1-CG2 3.91Å; F127-V135 HydrophobicContact CZ-CG1 3.95Å; F127-V135 HydrophobicContact CZ-CG2 3.74Å; F127-L166 HydrophobicContact CE1-CD2 4.2Å; F127-Y172 AromaticContact CD1-CE2 3.99Å; F127-Y172 HydrophobicContact CD1-CE2 3.99Å; F127-Y172 AromaticContact CD1-CZ 3.9Å; F127-Y172 HydrophobicContact CE1-CD2 4.24Å; F127-Y172 HydrophobicContact CE1-CE1 4.22Å; F127-Y172 AromaticContact CE1-CE2 3.88Å; F127-Y172 HydrophobicContact CE1-CE2 3.88Å; F127-Y172 AromaticContact CE1-CZ 3.88Å; F127-I442 HydrophobicContact CE2-CD1 3.81Å; F127-I442 HydrophobicContact CE2-CG1 3.94Å; F127-I442 HydrophobicContact CZ-CD1 3.94Å; F127-I442 HydrophobicContact CZ-CG1 4.39Å; F127-Y473 HydrophobicContact CD2-CD1 4.45Å; F127-Y473 AromaticContact CD2-CD2 3.87Å; F127-Y473 HydrophobicContact CD2-CD2 3.87Å; F127-Y473 HydrophobicContact CD2-CE1 4.33Å; F127-Y473 AromaticContact CD2-CE2 3.76Å; F127-Y473 HydrophobicContact CD2-CE2 3.76Å; F127-Y473 HydrophobicContact CD2-CG 4.24Å; F127-Y473 AromaticContact CE2-CD2 3.91Å; F127-Y473 HydrophobicContact CE2-CD2 3.91Å; F127-Y473 HydrophobicContact CE2-CE2 4.05Å
128	V	96.4	Very high	95.9	Very high	96 Å²	96	51.3 Å²	51.3	58%	0.582	28%	0.275	S	S	*	.			trans	-131.6	108.7	179.8	-175.5	0	0	0	0	108	Y473	V128-Y473 PolarHBondContact N-OH 3.35Å
129	P	96.3	Very high	96	Very high	16 Å²	16	51 Å²	51	10%	0.104	27%	0.274	C	S	.	.			trans	-66	148.6	175.6	-14.9	27	0	0	0	111.6	F127 K131 K134 V135 Y172	F127-P129 HydrophobicContact CD1-CG 4.45Å; F127-P129 HydrophobicContact CE1-CG 3.82Å; F127-P129 HydrophobicContact CZ-CG 4.18Å; P129-K131 VanDerWaalsContact C-N 3.3Å; P129-K131 PolarHBondContact O-N 3.28Å; P129-K134 VanDerWaalsContact CB-O 3.26Å; P129-K134 WeakPolarHBondContact CB-O 3.47Å; P129-V135 HydrophobicContact CB-CG2 4.07Å; P129-V135 HydrophobicContact CG-CG2 3.85Å; P129-Y172 HydrophobicContact CG-CD1 3.88Å; P129-Y172 HydrophobicContact CG-CE1 3.52Å
130	Q	94.8	Very high	96.1	Very high	73 Å²	73	51.1 Å²	51.1	34%	0.341	27%	0.274	S	S	.	.	S	Bend	trans	-69.3	-27.2	-177.8	-69.9	178.7	101.6	0	0	113.2	S439 M440 D441 R472	Q130-S439 PolarHBondContact OE1-OG 2.88Å; Q130-S439 VanDerWaalsContact OE1-OG 3.05Å; Q130-M440 VanDerWaalsContact NE2-C 3.29Å; Q130-M440 PolarHBondContact NE2-O 3.4Å; Q130-D441 WeakPolarHBondContact CB-OD1 3.5Å; Q130-D441 VanDerWaalsContact CG-OD1 3.23Å; Q130-D441 WeakPolarHBondContact CG-OD1 3.3Å; Q130-D441 PolarHBondContact N-OD1 3.01Å; Q130-D441 PolarHBondContact NE2-OD1 2.92Å; Q130-R472 HydrophobicContact CG-CG 3.99Å
131	K	93.3	Very high	96.3	Very high	166 Å²	166	48.9 Å²	48.9	72%	0.722	27%	0.265	S	S	*	.	B	Isolated β-bridge	trans	-128.6	72.6	-173.9	-67.1	-176.9	-177	173.3	0	111.8	P129 N133 K134	P129-K131 VanDerWaalsContact C-N 3.3Å; P129-K131 PolarHBondContact O-N 3.28Å; K131-N133 PolarHBondContact O-N 2.96Å; K131-K134 HydrophobicContact CB-CB 4.49Å; K131-K134 WeakPolarHBondContact O-CB 3.4Å; K131-K134 PolarHBondContact O-N 2.82Å
132	G	93.7	Very high	96.4	Very high	64 Å²	64	46.2 Å²	46.2	66%	0.66	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	-117.1	176.5	0	0	0	0	0	111.2
133	N	95.1	Very high	96.5	Very high	83 Å²	83	44.3 Å²	44.3	44%	0.444	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-1.7	179.8	-163	37.3	0	0	0	113.8	K131 K171 Y172 D173	K131-N133 PolarHBondContact O-N 2.96Å; N133-K171 PolarHBondContact ND2-O 3.04Å; N133-Y172 WeakPolarHBondContact OD1-CA 3.44Å; N133-Y172 WeakPolarHBondContact OD1-CD1 3.42Å; N133-D173 PolarHBondContact O-N 3.37Å
134	K	97.8	Very high	96.4	Very high	89 Å²	89	41.4 Å²	41.4	39%	0.387	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	130.9	-179.4	-177.1	173	179.5	173.6	0	110.6	P129 K131 D173	P129-K134 VanDerWaalsContact CB-O 3.26Å; P129-K134 WeakPolarHBondContact CB-O 3.47Å; K131-K134 HydrophobicContact CB-CB 4.49Å; K131-K134 WeakPolarHBondContact O-CB 3.4Å; K131-K134 PolarHBondContact O-N 2.82Å; K134-D173 CarbonylContact C-O 3.47Å; K134-D173 WeakPolarHBondContact CA-O 3.17Å
135	V	98.5	Very high	96.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	119.7	176.6	178.2	0	0	0	0	109.1	F127 P129 Y172 D173 V174 L175 D441 I442	F127-V135 HydrophobicContact CE1-CG2 3.91Å; F127-V135 HydrophobicContact CZ-CG1 3.95Å; F127-V135 HydrophobicContact CZ-CG2 3.74Å; P129-V135 HydrophobicContact CB-CG2 4.07Å; P129-V135 HydrophobicContact CG-CG2 3.85Å; V135-Y172 HydrophobicContact CG2-CD1 3.85Å; V135-Y172 HydrophobicContact CG2-CG 3.87Å; V135-D173 PolarHBondContact N-O 3.18Å; V135-V174 HydrophobicContact CB-CG2 4.26Å; V135-V174 WeakPolarHBondContact O-CA 3.16Å; V135-L175 PolarHBondContact O-N 2.62Å; V135-D441 HydrophobicContact CG1-CB 4.22Å; V135-I442 HydrophobicContact CG1-CD1 3.81Å; V135-I442 HydrophobicContact CG1-CG1 4.22Å
136	T	98.5	Very high	95.9	Very high	20 Å²	20	38.2 Å²	38.2	12%	0.123	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	123.4	171.9	51	0	0	0	0	109.9	L436 M440 D441 I442	T136-L436 HydrophobicContact CG2-CD2 4.09Å; T136-M440 WeakPolarHBondContact OG1-CA 3.34Å; T136-D441 PolarHBondContact N-OD2 3.16Å; T136-D441 WeakPolarHBondContact O-CB 3.36Å; T136-D441 PolarHBondContact O-N 2.9Å; T136-D441 PolarHBondContact OG1-N 2.79Å; T136-D441 PolarHBondContact OG1-OD2 3.36Å; T136-I442 PolarHBondContact O-N 2.97Å
137	W	98.5	Very high	95.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	118.7	-174.9	-172.9	-9.4	0	0	0	110.6	F159 L162 R163 L166 V174 L175 Y176 C177 I442 L475	W137-F159 HydrophobicContact CH2-CD1 4.11Å; W137-F159 HydrophobicContact CZ2-CB 4.32Å; W137-F159 AromaticContact CZ2-CD1 3.49Å; W137-F159 HydrophobicContact CZ2-CD1 3.49Å; W137-F159 VanDerWaalsContact CZ2-CD1 3.49Å; W137-F159 HydrophobicContact CZ2-CE1 4.08Å; W137-F159 HydrophobicContact CZ2-CG 4.16Å; W137-L162 HydrophobicContact CH2-CB 3.82Å; W137-L162 HydrophobicContact CZ3-CB 4.48Å; W137-R163 HydrophobicContact CZ3-CB 3.96Å; W137-L166 HydrophobicContact CE3-CD1 4.2Å; W137-L166 HydrophobicContact CZ3-CD1 3.83Å; W137-V174 HydrophobicContact CE3-CG1 4.29Å; W137-L175 PolarHBondContact N-O 3.22Å; W137-Y176 HydrophobicContact CB-CD2 4.15Å; W137-Y176 AromaticContact CD2-CD2 3.69Å; W137-Y176 HydrophobicContact CD2-CD2 3.69Å; W137-Y176 AromaticContact CD2-CE2 3.82Å; W137-Y176 HydrophobicContact CD2-CE2 3.82Å; W137-Y176 AromaticContact CE2-CE2 3.77Å; W137-Y176 HydrophobicContact CE3-CD2 4.02Å; W137-Y176 HydrophobicContact CE3-CE2 4.34Å; W137-Y176 AromaticContact CG-CD2 3.75Å; W137-Y176 HydrophobicContact CG-CD2 3.75Å; W137-Y176 HydrophobicContact CG-CE2 4.06Å; W137-Y176 HydrophobicContact CZ2-CE2 4.26Å; W137-Y176 AromaticContact NE1-CE2 3.92Å; W137-Y176 CarbonylContact O-C 3.59Å; W137-Y176 WeakPolarHBondContact O-CA 3.3Å; W137-C177 PolarHBondContact O-N 3.05Å; W137-I442 VanDerWaalsContact CA-O 3.29Å; W137-I442 WeakPolarHBondContact CA-O 3.12Å; W137-I442 HydrophobicContact CB-CB 4.11Å; W137-I442 HydrophobicContact CD2-CB 4.08Å; W137-I442 HydrophobicContact CD2-CD1 4.24Å; W137-I442 HydrophobicContact CD2-CG2 3.82Å; W137-I442 HydrophobicContact CE3-CD1 4.04Å; W137-I442 HydrophobicContact CG-CB 3.76Å; W137-I442 HydrophobicContact CG-CG2 3.84Å; W137-I442 HydrophobicContact CZ2-CG2 4.16Å; W137-I442 HydrophobicContact CZ3-CD1 4.44Å; W137-L475 HydrophobicContact CH2-CD1 4.42Å; W137-L475 HydrophobicContact CZ2-CD1 4.26Å
138	Y	98.6	Very high	95.5	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.3	165.6	-173.1	-94	0	0	0	111.8	C177 N179 C428 A432 I442 H443 G444	Y138-C177 CarbonylContact C-O 3.5Å; Y138-C177 WeakPolarHBondContact CA-O 3.41Å; Y138-C177 HydrophobicContact CD2-CB 3.87Å; Y138-N179 VanDerWaalsContact OH-CB 3.24Å; Y138-N179 WeakPolarHBondContact OH-CB 3.48Å; Y138-N179 PolarHBondContact OH-OD1 3.13Å; Y138-C428 HydrophobicContact CE1-CB 3.99Å; Y138-C428 WeakPolarHBondContact OH-CA 3.23Å; Y138-C428 PolarHBondContact OH-SG 3.37Å; Y138-A432 HydrophobicContact CD1-CB 3.98Å; Y138-A432 HydrophobicContact CD2-CB 3.45Å; Y138-A432 VanDerWaalsContact CD2-CB 3.45Å; Y138-A432 HydrophobicContact CE1-CB 4.12Å; Y138-A432 HydrophobicContact CE2-CB 3.63Å; Y138-A432 HydrophobicContact CG-CB 3.62Å; Y138-I442 PolarHBondContact N-O 3.05Å; Y138-H443 AromaticContact CD1-CE1 3.5Å; Y138-H443 AromaticContact CD1-NE2 3.78Å; Y138-H443 AromaticContact CE1-CE1 3.99Å; Y138-H443 CarbonylContact O-C 3.49Å; Y138-H443 VanDerWaalsContact O-CA 3.31Å; Y138-H443 WeakPolarHBondContact O-CA 3.36Å; Y138-G444 PolarHBondContact O-N 2.65Å
139	C	97.7	Very high	95.2	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.007	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.4	173.5	-173.2	0	0	0	0	110.7	G141 F159 Y176 C177 M178 G444	C139-G141 PolarHBondContact O-N 3.44Å; C139-F159 VanDerWaalsContact SG-CD2 3.53Å; C139-Y176 HydrophobicContact CB-CE1 4.46Å; C139-Y176 HydrophobicContact CB-CE2 4Å; C139-Y176 WeakPolarHBondContact CB-OH 3.38Å; C139-Y176 PolarHBondContact SG-OH 3.49Å; C139-C177 PolarHBondContact N-O 3.36Å; C139-M178 WeakPolarHBondContact O-CA 3.12Å; C139-M178 WeakPolarHBondContact O-CG 3.37Å; C139-G444 WeakPolarHBondContact CA-O 3.2Å; C139-G444 PolarHBondContact SG-O 3.3Å
140	C	97.1	Very high	95	Very high	6 Å²	6	33 Å²	33	4%	0.041	18%	0.183	C	C	.	.			trans	-62.9	127.3	174	-67.8	0	0	0	0	110.5	N179 G444 L449 H454	C140-N179 WeakPolarHBondContact CA-OD1 3.03Å; C140-G444 PolarHBondContact N-O 3.13Å; C140-L449 HydrophobicContact CB-CD1 3.55Å; C140-H454 PolarHBondContact SG-NE2 3.08Å
141	G	95.1	Very high	94.8	Very high	14 Å²	14	30.2 Å²	30.2	14%	0.144	17%	0.174	C	C	.	.			trans	-98.6	-167.6	179.9	0	0	0	0	0	114	C139 Y156 N179	C139-G141 PolarHBondContact O-N 3.44Å; G141-Y156 VanDerWaalsContact CA-OH 3.28Å; G141-Y156 WeakPolarHBondContact CA-OH 3.43Å; G141-N179 WeakPolarHBondContact CA-O 3.34Å; G141-N179 PolarHBondContact N-OD1 3.43Å
142	P	95.2	Very high	94.7	Very high	7 Å²	7	24.1 Å²	24.1	5%	0.045	15%	0.148	C	C	.	.			trans	-82.4	150.5	-168.8	33.2	-36.5	0	0	0	112.9	V144 Y156 I180 T181 F308	P142-V144 HydrophobicContact CB-CG1 4.45Å; P142-V144 HydrophobicContact CG-CG1 4.06Å; P142-Y156 VanDerWaalsContact CD-OH 3.27Å; P142-Y156 WeakPolarHBondContact CD-OH 3.5Å; P142-I180 HydrophobicContact CG-CD1 3.93Å; P142-T181 PolarHBondContact O-N 2.94Å; P142-F308 HydrophobicContact CB-CD2 4.22Å; P142-F308 HydrophobicContact CB-CE2 4.25Å; P142-F308 HydrophobicContact CG-CD1 3.86Å; P142-F308 HydrophobicContact CG-CD2 3.81Å; P142-F308 HydrophobicContact CG-CE1 3.82Å; P142-F308 HydrophobicContact CG-CE2 3.78Å; P142-F308 HydrophobicContact CG-CG 3.85Å; P142-F308 HydrophobicContact CG-CZ 3.78Å
143	T	94.4	Very high	94.7	Very high	35 Å²	35	21.1 Å²	21.1	22%	0.215	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-82.6	110.5	158.4	-44.1	0	0	0	0	109.7	Y145 T181 D184 I187	T143-Y145 VanDerWaalsContact C-N 3.34Å; T143-Y145 HydrophobicContact CG2-CD1 3.93Å; T143-Y145 WeakPolarHBondContact O-CD1 3.26Å; T143-Y145 PolarHBondContact O-N 2.71Å; T143-T181 HydrophobicContact CG2-CG2 4.1Å; T143-D184 HydrophobicContact CG2-CB 3.78Å; T143-I187 HydrophobicContact CG2-CD1 3.84Å; T143-I187 HydrophobicContact CG2-CG1 4.13Å
144	V	94.6	Very high	94.7	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.024	10%	0.097	C	C	.	.			trans	-86.2	65.5	-169.3	-72.6	0	0	0	0	112.4	P142 I180 T181 D182 I187 P301 W304 E305	P142-V144 HydrophobicContact CB-CG1 4.45Å; P142-V144 HydrophobicContact CG-CG1 4.06Å; V144-I180 HydrophobicContact CB-CG2 4.4Å; V144-I180 HydrophobicContact CG1-CG2 3.81Å; V144-I180 HydrophobicContact CG2-CG2 3.62Å; V144-T181 WeakPolarHBondContact CG2-O 3.33Å; V144-T181 PolarHBondContact N-O 3.41Å; V144-D182 HydrophobicContact CG2-CB 4.2Å; V144-I187 HydrophobicContact CG2-CD1 4.42Å; V144-P301 HydrophobicContact CB-CB 4.4Å; V144-P301 HydrophobicContact CG2-CB 3.43Å; V144-P301 VanDerWaalsContact CG2-CB 3.43Å; V144-P301 VanDerWaalsContact O-CA 3.24Å; V144-P301 WeakPolarHBondContact O-CA 3.27Å; V144-W304 HydrophobicContact CB-CB 3.95Å; V144-E305 HydrophobicContact CB-CB 4.48Å; V144-E305 HydrophobicContact CG1-CB 4.05Å
145	Y	91.7	Very high	94.5	Very high	39 Å²	39	14 Å²	14	15%	0.153	9%	0.085	C	C	.	.	S	Bend	trans	-114.1	-14	178.3	78.7	-87.4	0	0	0	114.6	T143 K186 W304 K489	T143-Y145 VanDerWaalsContact C-N 3.34Å; T143-Y145 HydrophobicContact CG2-CD1 3.93Å; T143-Y145 WeakPolarHBondContact O-CD1 3.26Å; T143-Y145 PolarHBondContact O-N 2.71Å; Y145-K186 HydrophobicContact CD1-CB 4.36Å; Y145-K186 HydrophobicContact CD1-CD 4.41Å; Y145-K186 HydrophobicContact CD2-CB 4.32Å; Y145-K186 HydrophobicContact CE1-CD 3.88Å; Y145-K186 HydrophobicContact CE2-CD 4.45Å; Y145-K186 HydrophobicContact CG-CB 4.21Å; Y145-W304 PolarHBondContact O-NE1 3.22Å; Y145-K489 HydrophobicContact CE1-CD 3.97Å; Y145-K489 HydrophobicContact CE2-CD 4.24Å; Y145-K489 WeakPolarHBondContact OH-CB 3.48Å; Y145-K489 WeakPolarHBondContact OH-CD 3.27Å
146	D	91.8	Very high	94.4	Very high	39 Å²	39	14.8 Å²	14.8	21%	0.209	9%	0.088	C	C	.	.	S	Bend	trans	-164.4	164.2	-173.9	-166.8	13	0	0	0	109.8	K489	D146-K489 HydrophobicContact CB-CD 4.35Å; D146-K489 PolarHBondContact O-NZ 2.6Å
147	A	92.1	Very high	94.4	Very high	18 Å²	18	13.9 Å²	13.9	15%	0.149	8%	0.083	C	C	.	.			trans	-50	147.9	-175	0	0	0	0	0	113.9	W304 K489 T496	A147-W304 VanDerWaalsContact CA-CZ3 3.4Å; A147-W304 HydrophobicContact CB-CE3 4.43Å; A147-W304 HydrophobicContact CB-CH2 3.97Å; A147-W304 HydrophobicContact CB-CZ3 3.62Å; A147-W304 VanDerWaalsContact N-CZ3 3.33Å; A147-K489 WeakPolarHBondContact O-CE 3.35Å; A147-K489 PolarHBondContact O-NZ 3.34Å; A147-T496 HydrophobicContact CB-CG2 4.25Å
148	S	93.6	Very high	94.3	Very high	9 Å²	9	14 Å²	14	6%	0.063	8%	0.084	C	C	.	.			trans	-71.9	153.4	171	-60.4	0	0	0	0	110.5	F308 D311 T496 I497	S148-F308 WeakPolarHBondContact OG-CD2 3.32Å; S148-D311 WeakPolarHBondContact CB-OD2 3.28Å; S148-T496 WeakPolarHBondContact O-CA 3.38Å; S148-I497 PolarHBondContact O-N 3.19Å
149	H	91.9	Very high	94.3	Very high	24 Å²	24	14 Å²	14	11%	0.111	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-139.8	170.3	-172	61.3	50.9	0	0	0	111.1	G151 H152 A153 F494 I495	H149-G151 WeakPolarHBondContact ND1-CA 3.4Å; H149-G151 PolarHBondContact ND1-N 3.19Å; H149-G151 VanDerWaalsContact ND1-N 3.15Å; H149-G151 PolarHBondContact O-N 3.17Å; H149-H152 AromaticContact CD2-CE1 3.56Å; H149-H152 AromaticContact CD2-ND1 3.57Å; H149-H152 AromaticContact CE1-CE1 3.37Å; H149-H152 PolarHBondContact CE1-CE1 3.05Å; H149-H152 AromaticContact CE1-CG 3.89Å; H149-H152 AromaticContact CE1-ND1 3.28Å; H149-H152 PolarHBondContact CE1-ND1 2.78Å; H149-H152 VanDerWaalsContact CE1-ND1 3.28Å; H149-H152 AromaticContact CE1-NE2 3.99Å; H149-H152 AromaticContact CG-CE1 3.93Å; H149-H152 AromaticContact CG-ND1 3.45Å; H149-H152 PolarHBondContact N-ND1 3.07Å; H149-H152 AromaticContact ND1-CE1 3.82Å; H149-H152 AromaticContact ND1-CG 3.92Å; H149-H152 PolarHBondContact ND1-N 3.12Å; H149-H152 AromaticContact ND1-ND1 3.28Å; H149-H152 PolarHBondContact ND1-ND1 3.1Å; H149-H152 AromaticContact NE2-CE1 3.18Å; H149-H152 PolarHBondContact NE2-CE1 3.26Å; H149-H152 AromaticContact NE2-ND1 3.47Å; H149-H152 PolarHBondContact NE2-ND1 2.95Å; H149-H152 AromaticContact NE2-NE2 3.99Å; H149-H152 WeakPolarHBondContact O-CA 3.41Å; H149-H152 VanDerWaalsContact O-CB 3.29Å; H149-H152 WeakPolarHBondContact O-CB 3.49Å; H149-H152 PolarHBondContact O-N 3.05Å; H149-A153 PolarHBondContact O-N 3.15Å; H149-A153 VanDerWaalsContact O-N 3.12Å; H149-F494 HydrophobicContact CB-CB 4.08Å; H149-F494 HydrophobicContact CB-CD2 3.58Å; H149-F494 HydrophobicContact CB-CE2 4.4Å; H149-F494 HydrophobicContact CB-CG 4.19Å; H149-I495 CarbonylContact C-O 3.59Å; H149-I495 VanDerWaalsContact CA-O 3.3Å; H149-I495 WeakPolarHBondContact CA-O 3.39Å; H149-I495 WeakPolarHBondContact CB-O 3.41Å
150	M	91.5	Very high	94.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-55.7	-30.3	-175.4	-78.7	-59.4	-63.1	0	0	114.6	A153 R154 L480 M487 I495 A500 L509 F513 Y524	M150-A153 PolarHBondContact O-N 2.83Å; M150-A153 HydrophobicContact SD-CB 4.26Å; M150-R154 PolarHBondContact O-N 3.19Å; M150-L480 HydrophobicContact CB-CD2 3.54Å; M150-L480 HydrophobicContact CE-CD2 4.25Å; M150-M487 HydrophobicContact CB-CE 3.93Å; M150-M487 HydrophobicContact CB-SD 4.23Å; M150-I495 HydrophobicContact CG-CB 4.1Å; M150-I495 HydrophobicContact CG-CG2 4.08Å; M150-I495 PolarHBondContact N-O 2.89Å; M150-A500 HydrophobicContact CG-CB 3.96Å; M150-A500 HydrophobicContact SD-CB 3.38Å; M150-A500 WeakPolarHBondContact SD-CB 3.44Å; M150-L509 HydrophobicContact CE-CD2 3.97Å; M150-F513 HydrophobicContact CE-CE1 4.47Å; M150-F513 HydrophobicContact CE-CZ 3.84Å; M150-Y524 HydrophobicContact CE-CD2 3.92Å; M150-Y524 HydrophobicContact CE-CE2 3.75Å
151	G	89.8	Confident	94.4	Very high	16 Å²	16	14.2 Å²	14.2	17%	0.165	8%	0.084	C	C	.	.	H	α-helix	trans	-62.8	-36.5	170.7	0	0	0	0	0	114.6	H149 S155	H149-G151 WeakPolarHBondContact ND1-CA 3.4Å; H149-G151 PolarHBondContact ND1-N 3.19Å; H149-G151 VanDerWaalsContact ND1-N 3.15Å; H149-G151 PolarHBondContact O-N 3.17Å; G151-S155 PolarHBondContact O-N 2.93Å; G151-S155 PolarHBondContact O-OG 2.89Å
152	H	92.3	Very high	94.5	Very high	38 Å²	38	13.6 Å²	13.6	18%	0.176	8%	0.078	C	C	.	.	H	α-helix	trans	-68.3	-46.5	172.2	-63.7	115.9	0	0	0	110	H149 R154 S155 Y156	H149-H152 AromaticContact CD2-CE1 3.56Å; H149-H152 AromaticContact CD2-ND1 3.57Å; H149-H152 AromaticContact CE1-CE1 3.37Å; H149-H152 PolarHBondContact CE1-CE1 3.05Å; H149-H152 AromaticContact CE1-CG 3.89Å; H149-H152 AromaticContact CE1-ND1 3.28Å; H149-H152 PolarHBondContact CE1-ND1 2.78Å; H149-H152 VanDerWaalsContact CE1-ND1 3.28Å; H149-H152 AromaticContact CE1-NE2 3.99Å; H149-H152 AromaticContact CG-CE1 3.93Å; H149-H152 AromaticContact CG-ND1 3.45Å; H149-H152 PolarHBondContact N-ND1 3.07Å; H149-H152 AromaticContact ND1-CE1 3.82Å; H149-H152 AromaticContact ND1-CG 3.92Å; H149-H152 PolarHBondContact ND1-N 3.12Å; H149-H152 AromaticContact ND1-ND1 3.28Å; H149-H152 PolarHBondContact ND1-ND1 3.1Å; H149-H152 AromaticContact NE2-CE1 3.18Å; H149-H152 PolarHBondContact NE2-CE1 3.26Å; H149-H152 AromaticContact NE2-ND1 3.47Å; H149-H152 PolarHBondContact NE2-ND1 2.95Å; H149-H152 AromaticContact NE2-NE2 3.99Å; H149-H152 WeakPolarHBondContact O-CA 3.41Å; H149-H152 VanDerWaalsContact O-CB 3.29Å; H149-H152 WeakPolarHBondContact O-CB 3.49Å; H149-H152 PolarHBondContact O-N 3.05Å; H152-R154 VanDerWaalsContact C-N 3.28Å; H152-R154 PolarHBondContact O-N 3.21Å; H152-S155 PolarHBondContact O-N 3.09Å; H152-S155 VanDerWaalsContact O-N 3.07Å; H152-Y156 HydrophobicContact CB-CD2 3.99Å; H152-Y156 HydrophobicContact CB-CE2 3.86Å; H152-Y156 WeakPolarHBondContact O-CD2 3.37Å; H152-Y156 PolarHBondContact O-N 3.46Å
153	A	94	Very high	94.7	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.008	8%	0.077	C	C	.	.	H	α-helix	trans	-55.2	-43.9	176.6	0	0	0	0	0	111.9	H149 M150 S155 I157 L315 I497 F513	H149-A153 PolarHBondContact O-N 3.15Å; H149-A153 VanDerWaalsContact O-N 3.12Å; M150-A153 PolarHBondContact O-N 2.83Å; M150-A153 HydrophobicContact SD-CB 4.26Å; A153-S155 VanDerWaalsContact C-N 3.34Å; A153-S155 PolarHBondContact O-N 3.41Å; A153-I157 HydrophobicContact CB-CD1 4.27Å; A153-I157 WeakPolarHBondContact O-CB 3.49Å; A153-I157 WeakPolarHBondContact O-CG1 3.28Å; A153-I157 PolarHBondContact O-N 3.04Å; A153-L315 HydrophobicContact CB-CD1 3.74Å; A153-I497 HydrophobicContact CB-CD1 4.1Å; A153-I497 HydrophobicContact CB-CG1 4.11Å; A153-F513 HydrophobicContact CB-CE2 4.43Å
154	R	93.7	Very high	94.9	Very high	1 Å²	1	12.9 Å²	12.9	0%	0.004	7%	0.07	C	C	.	.	H	α-helix	trans	-56	-47	175.3	174.3	57.1	174.4	176.6	-2.9	112.1	M150 H152 S158 L480 F513 S517 D520	M150-R154 PolarHBondContact O-N 3.19Å; H152-R154 VanDerWaalsContact C-N 3.28Å; H152-R154 PolarHBondContact O-N 3.21Å; R154-S158 VanDerWaalsContact O-CB 3.23Å; R154-S158 WeakPolarHBondContact O-CB 3.37Å; R154-S158 PolarHBondContact O-N 3.22Å; R154-S158 PolarHBondContact O-OG 3.13Å; R154-L480 HydrophobicContact CB-CB 4.25Å; R154-L480 HydrophobicContact CB-CD1 4.37Å; R154-L480 HydrophobicContact CG-CB 4.39Å; R154-L480 HydrophobicContact CG-CD1 4.35Å; R154-F513 VanDerWaalsContact CA-CE2 3.5Å; R154-F513 HydrophobicContact CB-CE1 4.47Å; R154-F513 HydrophobicContact CB-CE2 4.3Å; R154-F513 HydrophobicContact CB-CZ 4.02Å; R154-S517 PolarHBondContact NH2-O 3.37Å; R154-D520 PolarHBondContact NH2-O 3.37Å; R154-D520 VanDerWaalsContact NH2-O 3.1Å
155	S	94.4	Very high	95.1	Very high	22 Å²	22	12.7 Å²	12.7	15%	0.154	7%	0.069	C	C	.	.	H	α-helix	trans	-70.4	-53	-177.2	-53	0	0	0	0	111.3	G151 H152 A153 S158 F159 T477	G151-S155 PolarHBondContact O-N 2.93Å; G151-S155 PolarHBondContact O-OG 2.89Å; H152-S155 PolarHBondContact O-N 3.09Å; H152-S155 VanDerWaalsContact O-N 3.07Å; A153-S155 VanDerWaalsContact C-N 3.34Å; A153-S155 PolarHBondContact O-N 3.41Å; S155-S158 PolarHBondContact O-N 3.36Å; S155-F159 WeakPolarHBondContact O-CD2 3.34Å; S155-F159 PolarHBondContact O-N 3.03Å; S155-T477 PolarHBondContact OG-OG1 2.8Å
156	Y	96.8	Very high	95.4	Very high	16 Å²	16	10.9 Å²	10.9	6%	0.063	6%	0.062	C	C	.	.	H	α-helix	trans	-71.8	-36.5	-174.2	-62.5	-60.6	0	0	0	113.6	G141 P142 H152 S158 D160 M178 F308 M312	G141-Y156 VanDerWaalsContact CA-OH 3.28Å; G141-Y156 WeakPolarHBondContact CA-OH 3.43Å; P142-Y156 VanDerWaalsContact CD-OH 3.27Å; P142-Y156 WeakPolarHBondContact CD-OH 3.5Å; H152-Y156 HydrophobicContact CB-CD2 3.99Å; H152-Y156 HydrophobicContact CB-CE2 3.86Å; H152-Y156 WeakPolarHBondContact O-CD2 3.37Å; H152-Y156 PolarHBondContact O-N 3.46Å; Y156-S158 VanDerWaalsContact C-N 3.35Å; Y156-D160 VanDerWaalsContact O-CB 3.27Å; Y156-D160 WeakPolarHBondContact O-CB 3.42Å; Y156-D160 PolarHBondContact O-N 3.28Å; Y156-M178 HydrophobicContact CD1-SD 4.45Å; Y156-M178 HydrophobicContact CE1-SD 4.03Å; Y156-F308 AromaticContact CD2-CE2 3.84Å; Y156-F308 HydrophobicContact CD2-CE2 3.84Å; Y156-F308 HydrophobicContact CD2-CZ 4.27Å; Y156-F308 HydrophobicContact CE1-CZ 4.43Å; Y156-F308 AromaticContact CE2-CE2 3.52Å; Y156-F308 HydrophobicContact CE2-CE2 3.52Å; Y156-F308 AromaticContact CE2-CZ 4Å; Y156-F308 HydrophobicContact CE2-CZ 4Å; Y156-M312 HydrophobicContact CD2-CE 4.25Å; Y156-M312 HydrophobicContact CD2-SD 3.81Å; Y156-M312 HydrophobicContact CG-SD 3.9Å
157	I	97.5	Very high	95.7	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-66.6	-39.9	172.8	-68.7	166.4	0	0	0	110.4	A153 D160 I161 L315 V317 R510 F513	A153-I157 HydrophobicContact CB-CD1 4.27Å; A153-I157 WeakPolarHBondContact O-CB 3.49Å; A153-I157 WeakPolarHBondContact O-CG1 3.28Å; A153-I157 PolarHBondContact O-N 3.04Å; I157-D160 PolarHBondContact O-N 3.31Å; I157-I161 HydrophobicContact CG2-CD1 3.67Å; I157-I161 HydrophobicContact CG2-CG1 4.26Å; I157-I161 WeakPolarHBondContact O-CD1 3.39Å; I157-I161 VanDerWaalsContact O-CG1 3.25Å; I157-I161 WeakPolarHBondContact O-CG1 3.13Å; I157-I161 PolarHBondContact O-N 3.29Å; I157-L315 HydrophobicContact CD1-CB 4.17Å; I157-L315 HydrophobicContact CD1-CD1 3.93Å; I157-L315 HydrophobicContact CD1-CD2 4.07Å; I157-L315 HydrophobicContact CD1-CG 4.28Å; I157-L315 HydrophobicContact CG1-CB 4.38Å; I157-L315 HydrophobicContact CG1-CD1 4.41Å; I157-V317 HydrophobicContact CG1-CG2 3.78Å; I157-R510 HydrophobicContact CG2-CB 4.31Å; I157-R510 HydrophobicContact CG2-CG 4.09Å; I157-F513 HydrophobicContact CB-CD2 3.83Å; I157-F513 HydrophobicContact CB-CE2 4.21Å; I157-F513 HydrophobicContact CD1-CD2 3.96Å; I157-F513 HydrophobicContact CD1-CE2 3.72Å; I157-F513 HydrophobicContact CG1-CD2 4.5Å; I157-F513 HydrophobicContact CG2-CD2 3.77Å
158	S	97.4	Very high	95.9	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.021	7%	0.069	C	C	.	.	H	α-helix	trans	-62.1	-48.2	177.7	-60.5	0	0	0	0	110.6	R154 S155 Y156 D160 I161 L162	R154-S158 VanDerWaalsContact O-CB 3.23Å; R154-S158 WeakPolarHBondContact O-CB 3.37Å; R154-S158 PolarHBondContact O-N 3.22Å; R154-S158 PolarHBondContact O-OG 3.13Å; S155-S158 PolarHBondContact O-N 3.36Å; Y156-S158 VanDerWaalsContact C-N 3.35Å; S158-D160 PolarHBondContact O-N 2.87Å; S158-I161 WeakPolarHBondContact O-CB 3.25Å; S158-I161 PolarHBondContact O-N 2.89Å; S158-L162 VanDerWaalsContact O-CG 3.29Å; S158-L162 WeakPolarHBondContact O-CG 3.04Å; S158-L162 PolarHBondContact O-N 2.9Å
159	F	97.8	Very high	96.1	Very high	1 Å²	1	15.8 Å²	15.8	0%	0.004	8%	0.075	C	C	.	.	H	α-helix	trans	-65.7	-34.6	176.9	-70.7	-46.9	0	0	0	113.6	W137 C139 S155 L162 R163 G445 L475 T477	W137-F159 HydrophobicContact CH2-CD1 4.11Å; W137-F159 HydrophobicContact CZ2-CB 4.32Å; W137-F159 AromaticContact CZ2-CD1 3.49Å; W137-F159 HydrophobicContact CZ2-CD1 3.49Å; W137-F159 VanDerWaalsContact CZ2-CD1 3.49Å; W137-F159 HydrophobicContact CZ2-CE1 4.08Å; W137-F159 HydrophobicContact CZ2-CG 4.16Å; C139-F159 VanDerWaalsContact SG-CD2 3.53Å; S155-F159 WeakPolarHBondContact O-CD2 3.34Å; S155-F159 PolarHBondContact O-N 3.03Å; F159-L162 HydrophobicContact CD1-CD1 4.26Å; F159-L162 PolarHBondContact O-N 2.79Å; F159-R163 WeakPolarHBondContact O-CB 3.38Å; F159-R163 PolarHBondContact O-N 3.33Å; F159-G445 WeakPolarHBondContact CZ-O 3.32Å; F159-L475 HydrophobicContact CE1-CB 4.03Å; F159-L475 WeakPolarHBondContact CZ-O 3.46Å; F159-T477 HydrophobicContact CD1-CG2 4.19Å; F159-T477 HydrophobicContact CD2-CG2 4.19Å; F159-T477 HydrophobicContact CE1-CG2 3.82Å; F159-T477 HydrophobicContact CE2-CG2 3.79Å; F159-T477 HydrophobicContact CG-CG2 4.38Å; F159-T477 HydrophobicContact CZ-CG2 3.59Å
160	D	98.4	Very high	96.4	Very high	5 Å²	5	16.6 Å²	16.6	3%	0.027	8%	0.079	C	C	.	.	H	α-helix	trans	-59.6	-47.5	170.7	178	66.4	0	0	0	111.6	Y156 I157 S158 L162 R163 R164 V317 L318 R510	Y156-D160 VanDerWaalsContact O-CB 3.27Å; Y156-D160 WeakPolarHBondContact O-CB 3.42Å; Y156-D160 PolarHBondContact O-N 3.28Å; I157-D160 PolarHBondContact O-N 3.31Å; S158-D160 PolarHBondContact O-N 2.87Å; D160-L162 PolarHBondContact O-N 3.34Å; D160-R163 PolarHBondContact O-N 3.48Å; D160-R164 VanDerWaalsContact CG-NE 3.3Å; D160-R164 WeakPolarHBondContact O-CB 3.48Å; D160-R164 WeakPolarHBondContact O-CG 3.35Å; D160-R164 PolarHBondContact O-N 2.89Å; D160-R164 IonicContact OD1-CZ 3.11Å; D160-R164 IonicContact OD1-NE 2.78Å; D160-R164 PolarHBondContact OD1-NE 2.95Å; D160-R164 VanDerWaalsContact OD1-NE 3.12Å; D160-R164 IonicContact OD1-NH2 2.64Å; D160-R164 IonicContact OD2-CZ 2.98Å; D160-R164 IonicContact OD2-NE 2.92Å; D160-R164 PolarHBondContact OD2-NE 3.48Å; D160-R164 IonicContact OD2-NH2 2.92Å; D160-V317 HydrophobicContact CB-CG1 4.19Å; D160-V317 HydrophobicContact CB-CG2 4.34Å; D160-L318 WeakPolarHBondContact OD1-CB 3.39Å; D160-L318 WeakPolarHBondContact OD1-CG 3.38Å; D160-L318 PolarHBondContact OD1-N 3.27Å; D160-R510 IonicContact OD2-CZ 3.2Å; D160-R510 IonicContact OD2-NH2 2.66Å; D160-R510 PolarHBondContact OD2-NH2 3.47Å
161	I	98.4	Very high	96.7	Very high	5 Å²	5	23 Å²	23	3%	0.026	11%	0.107	C	C	.	.	H	α-helix	trans	-59.2	-49.3	175.9	-69.8	160.5	0	0	0	110.5	I157 S158 R163 R164 I165 R510 L514 T591 F638	I157-I161 HydrophobicContact CG2-CD1 3.67Å; I157-I161 HydrophobicContact CG2-CG1 4.26Å; I157-I161 WeakPolarHBondContact O-CD1 3.39Å; I157-I161 VanDerWaalsContact O-CG1 3.25Å; I157-I161 WeakPolarHBondContact O-CG1 3.13Å; I157-I161 PolarHBondContact O-N 3.29Å; S158-I161 WeakPolarHBondContact O-CB 3.25Å; S158-I161 PolarHBondContact O-N 2.89Å; I161-R163 PolarHBondContact O-N 3.08Å; I161-R164 PolarHBondContact O-N 3.21Å; I161-I165 HydrophobicContact CG2-CD1 3.7Å; I161-I165 HydrophobicContact CG2-CG1 4.45Å; I161-I165 VanDerWaalsContact O-CG1 3.28Å; I161-I165 WeakPolarHBondContact O-CG1 3.45Å; I161-I165 PolarHBondContact O-N 3.48Å; I161-R510 HydrophobicContact CD1-CG 4.27Å; I161-L514 HydrophobicContact CD1-CD2 3.69Å; I161-L514 HydrophobicContact CD1-CG 3.81Å; I161-L514 HydrophobicContact CG1-CD2 4.08Å; I161-L514 HydrophobicContact CG2-CD2 3.7Å; I161-T591 HydrophobicContact CG2-CG2 3.9Å; I161-F638 HydrophobicContact CG2-CD1 4.49Å
162	L	98.4	Very high	97.1	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-61.1	-44.2	179.3	-67.3	-165.4	0	0	0	111.7	W137 S158 F159 D160 I165 L166 L475 W518 M589	W137-L162 HydrophobicContact CH2-CB 3.82Å; W137-L162 HydrophobicContact CZ3-CB 4.48Å; S158-L162 VanDerWaalsContact O-CG 3.29Å; S158-L162 WeakPolarHBondContact O-CG 3.04Å; S158-L162 PolarHBondContact O-N 2.9Å; F159-L162 HydrophobicContact CD1-CD1 4.26Å; F159-L162 PolarHBondContact O-N 2.79Å; D160-L162 PolarHBondContact O-N 3.34Å; L162-I165 PolarHBondContact O-N 2.9Å; L162-L166 WeakPolarHBondContact O-CG 3.42Å; L162-L166 PolarHBondContact O-N 3.33Å; L162-L475 HydrophobicContact CD1-CD1 4.33Å; L162-W518 HydrophobicContact CD1-CD2 3.85Å; L162-W518 HydrophobicContact CD1-CE3 4.06Å; L162-W518 HydrophobicContact CD1-CG 4.22Å; L162-W518 HydrophobicContact CD1-CZ2 4.33Å; L162-W518 HydrophobicContact CD1-CZ3 4.43Å; L162-W518 HydrophobicContact CD2-CD2 4.5Å; L162-W518 HydrophobicContact CD2-CG 4.12Å; L162-M589 HydrophobicContact CB-CE 3.82Å; L162-M589 HydrophobicContact CB-SD 4.21Å; L162-M589 HydrophobicContact CD1-CE 3.87Å; L162-M589 HydrophobicContact CD2-CB 3.78Å; L162-M589 HydrophobicContact CD2-CE 3.63Å; L162-M589 HydrophobicContact CD2-CG 4.43Å; L162-M589 HydrophobicContact CD2-SD 3.85Å; L162-M589 HydrophobicContact CG-CE 3.94Å
163	R	98.1	Very high	97.3	Very high	8 Å²	8	27.4 Å²	27.4	3%	0.03	13%	0.125	C	C	.	.	H	α-helix	trans	-59.9	-46.5	175.5	179.6	-177.2	176.1	-159	0	111.3	W137 F159 D160 I161 I165 L166 R167 V174 P319 D321	W137-R163 HydrophobicContact CZ3-CB 3.96Å; F159-R163 WeakPolarHBondContact O-CB 3.38Å; F159-R163 PolarHBondContact O-N 3.33Å; D160-R163 PolarHBondContact O-N 3.48Å; I161-R163 PolarHBondContact O-N 3.08Å; R163-I165 VanDerWaalsContact C-N 3.35Å; R163-L166 PolarHBondContact O-N 3.36Å; R163-R167 WeakPolarHBondContact O-CB 3.06Å; R163-R167 PolarHBondContact O-N 2.94Å; R163-V174 HydrophobicContact CG-CG1 4.3Å; R163-P319 PolarHBondContact NH1-O 3.43Å; R163-D321 IonicContact CZ-OD2 3.76Å; R163-D321 IonicContact NH2-OD1 3.96Å; R163-D321 PolarHBondContact NH2-OD1 3.44Å; R163-D321 IonicContact NH2-OD2 2.82Å; R163-D321 PolarHBondContact NH2-OD2 3.19Å
164	R	98.3	Very high	97.5	Very high	19 Å²	19	27.9 Å²	27.9	7%	0.072	13%	0.128	C	C	.	.	H	α-helix	trans	-65.8	-35.8	177.3	-66.9	167.7	-179.5	-98.6	11.3	112	D160 I161 D168 N316 L318 I637	D160-R164 VanDerWaalsContact CG-NE 3.3Å; D160-R164 WeakPolarHBondContact O-CB 3.48Å; D160-R164 WeakPolarHBondContact O-CG 3.35Å; D160-R164 PolarHBondContact O-N 2.89Å; D160-R164 IonicContact OD1-CZ 3.11Å; D160-R164 IonicContact OD1-NE 2.78Å; D160-R164 PolarHBondContact OD1-NE 2.95Å; D160-R164 VanDerWaalsContact OD1-NE 3.12Å; D160-R164 IonicContact OD1-NH2 2.64Å; D160-R164 IonicContact OD2-CZ 2.98Å; D160-R164 IonicContact OD2-NE 2.92Å; D160-R164 PolarHBondContact OD2-NE 3.48Å; D160-R164 IonicContact OD2-NH2 2.92Å; I161-R164 PolarHBondContact O-N 3.21Å; R164-D168 WeakPolarHBondContact O-CA 3.43Å; R164-D168 WeakPolarHBondContact O-CB 3.34Å; R164-D168 PolarHBondContact O-N 3.22Å; R164-N316 PolarHBondContact NH2-O 2.77Å; R164-N316 PolarHBondContact NH2-OD1 3Å; R164-L318 HydrophobicContact CG-CD1 3.85Å; R164-I637 WeakPolarHBondContact CB-O 3.45Å; R164-I637 VanDerWaalsContact CD-O 3.24Å; R164-I637 WeakPolarHBondContact CD-O 3.05Å
165	I	98.6	Very high	97.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.14	C	C	.	.	I	π-helix	trans	-63.7	-48.4	173.4	-70.3	164.2	0	0	0	110.5	I161 L162 R163 R167 Y169 F170 L585 M589 T591 I637 F638	I161-I165 HydrophobicContact CG2-CD1 3.7Å; I161-I165 HydrophobicContact CG2-CG1 4.45Å; I161-I165 VanDerWaalsContact O-CG1 3.28Å; I161-I165 WeakPolarHBondContact O-CG1 3.45Å; I161-I165 PolarHBondContact O-N 3.48Å; L162-I165 PolarHBondContact O-N 2.9Å; R163-I165 VanDerWaalsContact C-N 3.35Å; I165-R167 PolarHBondContact O-N 2.98Å; I165-Y169 WeakPolarHBondContact O-CA 3.31Å; I165-Y169 WeakPolarHBondContact O-CB 3.48Å; I165-Y169 PolarHBondContact O-N 3.37Å; I165-F170 HydrophobicContact CG2-CD2 3.74Å; I165-F170 HydrophobicContact CG2-CE2 3.63Å; I165-F170 PolarHBondContact O-N 2.86Å; I165-L585 HydrophobicContact CD1-CD2 4.07Å; I165-M589 HydrophobicContact CB-SD 4.01Å; I165-M589 HydrophobicContact CD1-CB 4.33Å; I165-M589 HydrophobicContact CG2-CG 3.95Å; I165-M589 HydrophobicContact CG2-SD 3.73Å; I165-T591 HydrophobicContact CD1-CG2 3.7Å; I165-I637 HydrophobicContact CG1-CG2 4.27Å; I165-F638 HydrophobicContact CD1-CD1 4.09Å; I165-F638 HydrophobicContact CD1-CE1 3.81Å; I165-F638 HydrophobicContact CG1-CD1 4Å; I165-F638 HydrophobicContact CG1-CE1 3.85Å
166	L	98.3	Very high	98	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.135	C	C	.	.	I	π-helix	trans	-59.8	-48.1	177.2	-70.3	179.3	0	0	0	111.9	L114 F127 W137 L162 R163 F170 K171 Y172 V174 I442 M589	L114-L166 HydrophobicContact CD2-CD2 3.54Å; F127-L166 HydrophobicContact CE1-CD2 4.2Å; W137-L166 HydrophobicContact CE3-CD1 4.2Å; W137-L166 HydrophobicContact CZ3-CD1 3.83Å; L162-L166 WeakPolarHBondContact O-CG 3.42Å; L162-L166 PolarHBondContact O-N 3.33Å; R163-L166 PolarHBondContact O-N 3.36Å; L166-F170 CarbonylContact O-C 3.54Å; L166-K171 PolarHBondContact O-N 3.49Å; L166-K171 VanDerWaalsContact O-N 3.08Å; L166-Y172 HydrophobicContact CB-CD2 4.26Å; L166-Y172 HydrophobicContact CD2-CD2 3.86Å; L166-Y172 HydrophobicContact CD2-CE2 4.1Å; L166-Y172 PolarHBondContact O-N 3.35Å; L166-V174 HydrophobicContact CB-CG2 4.02Å; L166-I442 HydrophobicContact CD1-CD1 3.79Å; L166-M589 HydrophobicContact CD2-SD 4.16Å; L166-M589 HydrophobicContact CG-CE 4.45Å; L166-M589 HydrophobicContact CG-SD 4.08Å
167	R	98	Very high	98	Very high	79 Å²	79	29 Å²	29	30%	0.298	13%	0.132	S	C	.	.	I	π-helix	trans	-75.1	-48.9	-176.1	-172.3	-170	68.2	-164.8	-5.8	113.4	R163 I165 K171 Y172 V174	R163-R167 WeakPolarHBondContact O-CB 3.06Å; R163-R167 PolarHBondContact O-N 2.94Å; I165-R167 PolarHBondContact O-N 2.98Å; R167-K171 WeakPolarHBondContact O-CA 3.39Å; R167-K171 PolarHBondContact O-N 3.34Å; R167-Y172 WeakPolarHBondContact CA-O 3.38Å; R167-V174 HydrophobicContact CB-CG2 4.21Å
168	D	97.4	Very high	98.1	Very high	41 Å²	41	29.6 Å²	29.6	22%	0.219	14%	0.135	C	C	.	.	I	π-helix	trans	-97.8	-27	-166.6	-56.2	-35.7	0	0	0	112.7	R164 K171 I637	R164-D168 WeakPolarHBondContact O-CA 3.43Å; R164-D168 WeakPolarHBondContact O-CB 3.34Å; R164-D168 PolarHBondContact O-N 3.22Å; D168-K171 WeakPolarHBondContact O-CE 3.47Å; D168-K171 PolarHBondContact O-NZ 3.43Å; D168-I637 HydrophobicContact CB-CG1 3.93Å; D168-I637 HydrophobicContact CB-CG2 4.36Å
169	Y	97.9	Very high	98.1	Very high	49 Å²	49	29.5 Å²	29.5	19%	0.192	13%	0.134	C	C	.	.	I	π-helix	trans	-93.9	-56.9	175.3	-172.3	-93.7	0	0	0	112	I165 K171 H582 L585 M634 I637	I165-Y169 WeakPolarHBondContact O-CA 3.31Å; I165-Y169 WeakPolarHBondContact O-CB 3.48Å; I165-Y169 PolarHBondContact O-N 3.37Å; Y169-K171 VanDerWaalsContact C-N 3.34Å; Y169-H582 AromaticContact CE1-ND1 3.51Å; Y169-H582 AromaticContact CZ-ND1 3.64Å; Y169-H582 VanDerWaalsContact OH-CA 3.26Å; Y169-H582 WeakPolarHBondContact OH-CA 3.25Å; Y169-H582 VanDerWaalsContact OH-CB 3.23Å; Y169-H582 WeakPolarHBondContact OH-CB 3.44Å; Y169-H582 PolarHBondContact OH-ND1 3.04Å; Y169-L585 HydrophobicContact CD1-CD1 3.95Å; Y169-L585 HydrophobicContact CD2-CD1 3.98Å; Y169-L585 HydrophobicContact CE1-CB 4.28Å; Y169-L585 HydrophobicContact CE1-CD1 3.77Å; Y169-L585 HydrophobicContact CE2-CD1 3.81Å; Y169-L585 HydrophobicContact CG-CD1 4.06Å; Y169-M634 HydrophobicContact CD2-CE 3.99Å; Y169-M634 HydrophobicContact CD2-SD 3.93Å; Y169-M634 HydrophobicContact CE2-CE 4.01Å; Y169-M634 HydrophobicContact CE2-SD 3.81Å; Y169-I637 HydrophobicContact CD2-CD1 4.06Å
170	F	97.4	Very high	98.1	Very high	42 Å²	42	29.4 Å²	29.4	18%	0.184	13%	0.134	C	C	.	.	S	Bend	trans	-82.1	-10.7	-179.5	-69.7	-73.5	0	0	0	114.2	L114 I165 L166 Y172 L585	L114-F170 HydrophobicContact CB-CE1 4.24Å; L114-F170 HydrophobicContact CB-CZ 4.27Å; L114-F170 HydrophobicContact CD1-CE2 3.9Å; L114-F170 HydrophobicContact CD1-CZ 3.89Å; L114-F170 HydrophobicContact CD2-CD2 4.06Å; L114-F170 HydrophobicContact CD2-CE2 4.05Å; L114-F170 HydrophobicContact CD2-CG 4.39Å; L114-F170 HydrophobicContact CD2-CZ 4.38Å; L114-F170 HydrophobicContact CG-CE2 4.46Å; L114-F170 HydrophobicContact CG-CZ 4.41Å; I165-F170 HydrophobicContact CG2-CD2 3.74Å; I165-F170 HydrophobicContact CG2-CE2 3.63Å; I165-F170 PolarHBondContact O-N 2.86Å; L166-F170 CarbonylContact O-C 3.54Å; F170-Y172 VanDerWaalsContact C-N 3.33Å; F170-Y172 HydrophobicContact CB-CD2 3.58Å; F170-Y172 HydrophobicContact CB-CE2 3.58Å; F170-Y172 HydrophobicContact CG-CE2 4.23Å; F170-Y172 PolarHBondContact O-N 3.14Å; F170-L585 HydrophobicContact CE2-CB 4.33Å; F170-L585 HydrophobicContact CZ-CB 4.17Å
171	K	97.3	Very high	98	Very high	135 Å²	135	29.3 Å²	29.3	59%	0.587	13%	0.133	S	C	*	.			trans	66.1	27.7	176	-53.3	-57.1	-173.3	-172.7	0	114.7	N133 L166 R167 D168 Y169	N133-K171 PolarHBondContact ND2-O 3.04Å; L166-K171 PolarHBondContact O-N 3.49Å; L166-K171 VanDerWaalsContact O-N 3.08Å; R167-K171 WeakPolarHBondContact O-CA 3.39Å; R167-K171 PolarHBondContact O-N 3.34Å; D168-K171 WeakPolarHBondContact O-CE 3.47Å; D168-K171 PolarHBondContact O-NZ 3.43Å; Y169-K171 VanDerWaalsContact C-N 3.34Å
172	Y	98.3	Very high	97.9	Very high	42 Å²	42	30 Å²	30	17%	0.165	14%	0.137	C	C	.	.			trans	-69	146.1	169.4	-69.8	-70.1	0	0	0	112	L114 F127 P129 N133 V135 L166 R167 F170 V174	L114-Y172 HydrophobicContact CD2-CE2 4.1Å; F127-Y172 AromaticContact CD1-CE2 3.99Å; F127-Y172 HydrophobicContact CD1-CE2 3.99Å; F127-Y172 AromaticContact CD1-CZ 3.9Å; F127-Y172 HydrophobicContact CE1-CD2 4.24Å; F127-Y172 HydrophobicContact CE1-CE1 4.22Å; F127-Y172 AromaticContact CE1-CE2 3.88Å; F127-Y172 HydrophobicContact CE1-CE2 3.88Å; F127-Y172 AromaticContact CE1-CZ 3.88Å; P129-Y172 HydrophobicContact CG-CD1 3.88Å; P129-Y172 HydrophobicContact CG-CE1 3.52Å; N133-Y172 WeakPolarHBondContact OD1-CA 3.44Å; N133-Y172 WeakPolarHBondContact OD1-CD1 3.42Å; V135-Y172 HydrophobicContact CG2-CD1 3.85Å; V135-Y172 HydrophobicContact CG2-CG 3.87Å; L166-Y172 HydrophobicContact CB-CD2 4.26Å; L166-Y172 HydrophobicContact CD2-CD2 3.86Å; L166-Y172 HydrophobicContact CD2-CE2 4.1Å; L166-Y172 PolarHBondContact O-N 3.35Å; R167-Y172 WeakPolarHBondContact CA-O 3.38Å; F170-Y172 VanDerWaalsContact C-N 3.33Å; F170-Y172 HydrophobicContact CB-CD2 3.58Å; F170-Y172 HydrophobicContact CB-CE2 3.58Å; F170-Y172 HydrophobicContact CG-CE2 4.23Å; F170-Y172 PolarHBondContact O-N 3.14Å; Y172-V174 PolarHBondContact O-N 3.4Å
173	D	98	Very high	97.7	Very high	103 Å²	103	30.3 Å²	30.3	55%	0.551	14%	0.139	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	93.5	170.6	179.4	23.7	0	0	0	109.1	N133 K134 V135	N133-D173 PolarHBondContact O-N 3.37Å; K134-D173 CarbonylContact C-O 3.47Å; K134-D173 WeakPolarHBondContact CA-O 3.17Å; V135-D173 PolarHBondContact N-O 3.18Å
174	V	98.4	Very high	97.4	Very high	12 Å²	12	31.1 Å²	31.1	7%	0.073	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	119.9	-172.3	-175.7	0	0	0	0	110.5	V135 W137 R163 L166 R167 Y172	V135-V174 HydrophobicContact CB-CG2 4.26Å; V135-V174 WeakPolarHBondContact O-CA 3.16Å; W137-V174 HydrophobicContact CE3-CG1 4.29Å; R163-V174 HydrophobicContact CG-CG1 4.3Å; L166-V174 HydrophobicContact CB-CG2 4.02Å; R167-V174 HydrophobicContact CB-CG2 4.21Å; Y172-V174 PolarHBondContact O-N 3.4Å
175	L	98.3	Very high	96.9	Very high	48 Å²	48	32 Å²	32	25%	0.251	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	107.4	164.6	178.1	66.6	0	0	0	108.8	V135 W137 D321 V322 L436	V135-L175 PolarHBondContact O-N 2.62Å; W137-L175 PolarHBondContact N-O 3.22Å; L175-D321 HydrophobicContact CD1-CB 4.01Å; L175-V322 HydrophobicContact CD1-CG2 4.23Å; L175-L436 HydrophobicContact CD2-CD2 4.05Å
176	Y	98.5	Very high	96.5	Very high	13 Å²	13	36.8 Å²	36.8	5%	0.051	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	119	-176.5	-173.3	-89.3	0	0	0	111.8	W137 C139 M178 A320 D321 V322	W137-Y176 HydrophobicContact CB-CD2 4.15Å; W137-Y176 AromaticContact CD2-CD2 3.69Å; W137-Y176 HydrophobicContact CD2-CD2 3.69Å; W137-Y176 AromaticContact CD2-CE2 3.82Å; W137-Y176 HydrophobicContact CD2-CE2 3.82Å; W137-Y176 AromaticContact CE2-CE2 3.77Å; W137-Y176 HydrophobicContact CE3-CD2 4.02Å; W137-Y176 HydrophobicContact CE3-CE2 4.34Å; W137-Y176 AromaticContact CG-CD2 3.75Å; W137-Y176 HydrophobicContact CG-CD2 3.75Å; W137-Y176 HydrophobicContact CG-CE2 4.06Å; W137-Y176 HydrophobicContact CZ2-CE2 4.26Å; W137-Y176 AromaticContact NE1-CE2 3.92Å; W137-Y176 CarbonylContact O-C 3.59Å; W137-Y176 WeakPolarHBondContact O-CA 3.3Å; C139-Y176 HydrophobicContact CB-CE1 4.46Å; C139-Y176 HydrophobicContact CB-CE2 4Å; C139-Y176 WeakPolarHBondContact CB-OH 3.38Å; C139-Y176 PolarHBondContact SG-OH 3.49Å; Y176-M178 HydrophobicContact CE1-CB 4.16Å; Y176-A320 HydrophobicContact CD1-CB 3.77Å; Y176-A320 HydrophobicContact CE1-CB 4.09Å; Y176-D321 WeakPolarHBondContact CB-OD2 3.45Å; Y176-D321 PolarHBondContact N-OD2 2.78Å; Y176-D321 WeakPolarHBondContact O-CB 3.44Å; Y176-D321 PolarHBondContact O-N 2.76Å; Y176-V322 PolarHBondContact O-N 2.7Å
177	C	98.4	Very high	96.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	142	179.2	-55.2	0	0	0	0	110.4	W137 Y138 C139 V322	W137-C177 PolarHBondContact O-N 3.05Å; Y138-C177 CarbonylContact C-O 3.5Å; Y138-C177 WeakPolarHBondContact CA-O 3.41Å; Y138-C177 HydrophobicContact CD2-CB 3.87Å; C139-C177 PolarHBondContact N-O 3.36Å; C177-V322 WeakPolarHBondContact CA-O 3.25Å; C177-V322 HydrophobicContact CB-CB 4.31Å
178	M	98.1	Very high	95.9	Very high	13 Å²	13	33.2 Å²	33.2	6%	0.064	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	140.7	176.5	-176.7	-178.9	73	0	0	109.8	C139 Y156 Y176 I180 F308 A320 V322 L323 T324	C139-M178 WeakPolarHBondContact O-CA 3.12Å; C139-M178 WeakPolarHBondContact O-CG 3.37Å; Y156-M178 HydrophobicContact CD1-SD 4.45Å; Y156-M178 HydrophobicContact CE1-SD 4.03Å; Y176-M178 HydrophobicContact CE1-CB 4.16Å; M178-I180 HydrophobicContact CE-CD1 4.38Å; M178-F308 HydrophobicContact CE-CE1 3.83Å; M178-F308 HydrophobicContact CE-CZ 4.18Å; M178-F308 HydrophobicContact SD-CZ 4.45Å; M178-A320 HydrophobicContact CB-CB 3.83Å; M178-V322 PolarHBondContact N-O 3.11Å; M178-L323 HydrophobicContact CB-CD1 4.48Å; M178-L323 HydrophobicContact CE-CD1 3.45Å; M178-L323 VanDerWaalsContact CE-CD1 3.45Å; M178-L323 VanDerWaalsContact O-CA 3.31Å; M178-L323 WeakPolarHBondContact O-CA 3.46Å; M178-T324 PolarHBondContact O-N 3.47Å
179	N	97.9	Very high	95.6	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	164.9	172.7	71.1	-53.8	0	0	0	113.2	Y138 C140 G141 T181 T324 M431	Y138-N179 VanDerWaalsContact OH-CB 3.24Å; Y138-N179 WeakPolarHBondContact OH-CB 3.48Å; Y138-N179 PolarHBondContact OH-OD1 3.13Å; C140-N179 WeakPolarHBondContact CA-OD1 3.03Å; G141-N179 WeakPolarHBondContact CA-O 3.34Å; G141-N179 PolarHBondContact N-OD1 3.43Å; N179-T181 PolarHBondContact ND2-OG1 3.24Å; N179-T324 CarbonylContact C-O 3.54Å; N179-T324 WeakPolarHBondContact CA-O 3.23Å; N179-T324 WeakPolarHBondContact CA-OG1 3.4Å; N179-T324 WeakPolarHBondContact CB-OG1 3.33Å; N179-M431 HydrophobicContact CB-CE 3.39Å; N179-M431 HydrophobicContact CB-SD 3.97Å
180	I	97.9	Very high	95.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.6	162.5	-59.3	-60.1	0	0	0	106.7	P142 V144 M178 D182 E305 F308 L323 T324 R325 V326	P142-I180 HydrophobicContact CG-CD1 3.93Å; V144-I180 HydrophobicContact CB-CG2 4.4Å; V144-I180 HydrophobicContact CG1-CG2 3.81Å; V144-I180 HydrophobicContact CG2-CG2 3.62Å; M178-I180 HydrophobicContact CE-CD1 4.38Å; I180-D182 HydrophobicContact CG2-CB 4.39Å; I180-D182 PolarHBondContact O-N 3.12Å; I180-E305 HydrophobicContact CD1-CG 4.3Å; I180-E305 HydrophobicContact CG1-CG 4.18Å; I180-E305 HydrophobicContact CG2-CG 4.15Å; I180-F308 HydrophobicContact CD1-CD1 4.34Å; I180-F308 HydrophobicContact CD1-CE1 4.27Å; I180-L323 HydrophobicContact CD1-CD1 4.01Å; I180-L323 HydrophobicContact CG1-CD1 3.91Å; I180-L323 HydrophobicContact CG1-CD2 4.05Å; I180-L323 HydrophobicContact CG1-CG 4.03Å; I180-T324 PolarHBondContact N-O 3.42Å; I180-R325 HydrophobicContact CB-CG 4.27Å; I180-V326 PolarHBondContact O-N 2.86Å
181	T	96.9	Very high	95.2	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.012	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-82	95.3	171.5	-62.2	0	0	0	0	108.6	P142 T143 V144 N179 I183 D184 I187 E427	P142-T181 PolarHBondContact O-N 2.94Å; T143-T181 HydrophobicContact CG2-CG2 4.1Å; V144-T181 WeakPolarHBondContact CG2-O 3.33Å; V144-T181 PolarHBondContact N-O 3.41Å; N179-T181 PolarHBondContact ND2-OG1 3.24Å; T181-I183 WeakPolarHBondContact CG2-O 3.39Å; T181-D184 HydrophobicContact CG2-CB 4.16Å; T181-I187 WeakPolarHBondContact O-CD1 3.26Å; T181-E427 WeakPolarHBondContact CG2-OE2 3.13Å
182	D	95.9	Very high	95	Very high	19 Å²	19	29.9 Å²	29.9	10%	0.102	14%	0.14	C	C	.	.			trans	-101.2	1.5	178	65.8	-21.2	0	0	0	113.4	V144 I180 P301 V326 S327	V144-D182 HydrophobicContact CG2-CB 4.2Å; I180-D182 HydrophobicContact CG2-CB 4.39Å; I180-D182 PolarHBondContact O-N 3.12Å; D182-P301 HydrophobicContact CB-CB 3.84Å; D182-P301 HydrophobicContact CB-CG 4.31Å; D182-V326 WeakPolarHBondContact OD1-CA 3.3Å; D182-V326 VanDerWaalsContact OD1-CB 3.27Å; D182-V326 WeakPolarHBondContact OD1-CB 3.45Å; D182-V326 PolarHBondContact OD1-N 3.46Å; D182-S327 PolarHBondContact OD1-N 3.06Å; D182-S327 WeakPolarHBondContact OD2-CB 3.36Å; D182-S327 PolarHBondContact OD2-OG 2.95Å
183	I	93.7	Very high	94.8	Very high	9 Å²	9	28.6 Å²	28.6	5%	0.046	14%	0.135	C	C	.	.			trans	-125.4	114.1	170	-59.2	171.5	0	0	0	107.9	T181 V326 V330 W413 P422	T181-I183 WeakPolarHBondContact CG2-O 3.39Å; I183-V326 HydrophobicContact CB-CB 4.43Å; I183-V326 HydrophobicContact CB-CG1 4.26Å; I183-V326 HydrophobicContact CD1-CB 4.3Å; I183-V326 HydrophobicContact CD1-CG1 4.01Å; I183-V326 HydrophobicContact CG1-CB 4.42Å; I183-V326 HydrophobicContact CG1-CG1 4.44Å; I183-V330 HydrophobicContact CD1-CG2 4.16Å; I183-W413 HydrophobicContact CD1-CH2 3.29Å; I183-W413 HydrophobicContact CD1-CZ2 3.57Å; I183-W413 HydrophobicContact CD1-CZ3 3.91Å; I183-W413 HydrophobicContact CG1-CH2 3.84Å; I183-W413 HydrophobicContact CG1-CZ2 4.38Å; I183-W413 HydrophobicContact CG2-CH2 4.34Å; I183-W413 HydrophobicContact CG2-CZ3 4.33Å; I183-P422 HydrophobicContact CD1-CG 4.47Å; I183-P422 HydrophobicContact CG2-CG 4.34Å
184	D	91.3	Very high	94.6	Very high	25 Å²	25	26 Å²	26	13%	0.134	12%	0.122	C	C	.	.			trans	-158.6	155.5	175	179.2	-110.7	0	0	0	110.1	T143 T181 K186 I187 I188	T143-D184 HydrophobicContact CG2-CB 3.78Å; T181-D184 HydrophobicContact CG2-CB 4.16Å; D184-K186 PolarHBondContact O-N 3.39Å; D184-K186 VanDerWaalsContact O-N 3.16Å; D184-K186 VanDerWaalsContact OD1-CB 3.22Å; D184-K186 WeakPolarHBondContact OD1-CB 3.43Å; D184-K186 WeakPolarHBondContact OD1-CG 3.28Å; D184-K186 PolarHBondContact OD1-N 2.95Å; D184-I187 HydrophobicContact CB-CB 4.49Å; D184-I187 HydrophobicContact CB-CD1 4.07Å; D184-I187 HydrophobicContact CB-CG1 4.2Å; D184-I187 WeakPolarHBondContact O-CB 3.47Å; D184-I187 PolarHBondContact O-N 3.26Å; D184-I188 VanDerWaalsContact O-CG1 3.25Å; D184-I188 WeakPolarHBondContact O-CG1 3.42Å; D184-I188 PolarHBondContact O-N 3.28Å
185	D	88.6	Confident	94.4	Very high	38 Å²	38	28.1 Å²	28.1	20%	0.203	13%	0.13	C	C	.	.	H	α-helix	trans	-57.8	-32.2	179.4	-68.4	-28.9	0	0	0	111.8	K189 K404 R421	D185-K189 WeakPolarHBondContact O-CB 3.29Å; D185-K189 PolarHBondContact O-N 3.49Å; D185-K189 VanDerWaalsContact O-N 3.08Å; D185-K404 IonicContact OD2-NZ 3.72Å; D185-K404 PolarHBondContact OD2-NZ 2.92Å; D185-R421 IonicContact OD1-CZ 3.07Å; D185-R421 IonicContact OD1-NE 2.97Å; D185-R421 PolarHBondContact OD1-NE 3.27Å; D185-R421 IonicContact OD1-NH2 3.25Å; D185-R421 PolarHBondContact OD1-NH2 2.96Å
186	K	89.4	Confident	94.3	Very high	100 Å²	100	26.3 Å²	26.3	44%	0.435	12%	0.12	S	C	.	.	H	α-helix	trans	-71.8	-39.7	174.9	-62.8	172.3	-176.3	164.9	0	112.6	Y145 D184 R190	Y145-K186 HydrophobicContact CD1-CB 4.36Å; Y145-K186 HydrophobicContact CD1-CD 4.41Å; Y145-K186 HydrophobicContact CD2-CB 4.32Å; Y145-K186 HydrophobicContact CE1-CD 3.88Å; Y145-K186 HydrophobicContact CE2-CD 4.45Å; Y145-K186 HydrophobicContact CG-CB 4.21Å; D184-K186 PolarHBondContact O-N 3.39Å; D184-K186 VanDerWaalsContact O-N 3.16Å; D184-K186 VanDerWaalsContact OD1-CB 3.22Å; D184-K186 WeakPolarHBondContact OD1-CB 3.43Å; D184-K186 WeakPolarHBondContact OD1-CG 3.28Å; D184-K186 PolarHBondContact OD1-N 2.95Å; K186-R190 VanDerWaalsContact O-CB 3.24Å; K186-R190 WeakPolarHBondContact O-CB 3.29Å; K186-R190 PolarHBondContact O-N 2.86Å
187	I	92.6	Very high	94	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-63.6	-49	176.1	-66.8	170.5	0	0	0	108.9	T143 V144 T181 D184 K189 R190 A191 P301	T143-I187 HydrophobicContact CG2-CD1 3.84Å; T143-I187 HydrophobicContact CG2-CG1 4.13Å; V144-I187 HydrophobicContact CG2-CD1 4.42Å; T181-I187 WeakPolarHBondContact O-CD1 3.26Å; D184-I187 HydrophobicContact CB-CB 4.49Å; D184-I187 HydrophobicContact CB-CD1 4.07Å; D184-I187 HydrophobicContact CB-CG1 4.2Å; D184-I187 WeakPolarHBondContact O-CB 3.47Å; D184-I187 PolarHBondContact O-N 3.26Å; I187-K189 PolarHBondContact O-N 3.45Å; I187-R190 PolarHBondContact O-N 2.89Å; I187-A191 WeakPolarHBondContact O-CB 3.43Å; I187-A191 PolarHBondContact O-N 2.89Å; I187-P301 HydrophobicContact CD1-CB 4.42Å; I187-P301 HydrophobicContact CG2-CB 4.29Å; I187-P301 HydrophobicContact CG2-CG 4.05Å
188	I	92.3	Very high	93.8	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-57.5	-52.5	-178.2	-66.9	165.5	0	0	0	110.4	D184 R190 R192 F297 E410 P411	D184-I188 VanDerWaalsContact O-CG1 3.25Å; D184-I188 WeakPolarHBondContact O-CG1 3.42Å; D184-I188 PolarHBondContact O-N 3.28Å; I188-R190 PolarHBondContact O-N 3.17Å; I188-R192 WeakPolarHBondContact O-CB 3.18Å; I188-R192 PolarHBondContact O-N 2.98Å; I188-R192 VanDerWaalsContact O-N 3.11Å; I188-F297 HydrophobicContact CB-CD1 4.41Å; I188-F297 HydrophobicContact CB-CE1 4.49Å; I188-F297 HydrophobicContact CG1-CD1 4.48Å; I188-F297 HydrophobicContact CG2-CD1 4.18Å; I188-F297 HydrophobicContact CG2-CE1 3.8Å; I188-E410 HydrophobicContact CG2-CB 4.35Å; I188-E410 HydrophobicContact CG2-CG 4.16Å; I188-P411 HydrophobicContact CD1-CG 3.73Å; I188-P411 HydrophobicContact CG1-CG 3.67Å
189	K	91.6	Very high	93.6	Very high	89 Å²	89	34.4 Å²	34.4	39%	0.387	16%	0.159	S	C	.	.	H	α-helix	trans	-59.6	-48.4	179.2	-177.1	171.4	179.1	172.1	0	111.5	D185 I187 Q193 D281	D185-K189 WeakPolarHBondContact O-CB 3.29Å; D185-K189 PolarHBondContact O-N 3.49Å; D185-K189 VanDerWaalsContact O-N 3.08Å; I187-K189 PolarHBondContact O-N 3.45Å; K189-Q193 HydrophobicContact CG-CG 4.48Å; K189-Q193 WeakPolarHBondContact O-CB 3.5Å; K189-Q193 VanDerWaalsContact O-CG 3.24Å; K189-Q193 WeakPolarHBondContact O-CG 3.43Å; K189-Q193 PolarHBondContact O-N 3.45Å; K189-D281 WeakPolarHBondContact CE-OD1 3.16Å; K189-D281 IonicContact NZ-OD1 2.95Å; K189-D281 PolarHBondContact NZ-OD1 3.49Å
190	R	91.6	Very high	93.4	Very high	71 Å²	71	35.4 Å²	35.4	27%	0.268	16%	0.163	S	C	.	.	H	α-helix	trans	-68.9	-40.3	-176.3	-172.3	63.2	133.8	177.3	-1.7	112.6	K186 I187 I188 R192 Q193 N194 D277 L300	K186-R190 VanDerWaalsContact O-CB 3.24Å; K186-R190 WeakPolarHBondContact O-CB 3.29Å; K186-R190 PolarHBondContact O-N 2.86Å; I187-R190 PolarHBondContact O-N 2.89Å; I188-R190 PolarHBondContact O-N 3.17Å; R190-R192 VanDerWaalsContact C-N 3.35Å; R190-Q193 PolarHBondContact O-N 3.44Å; R190-N194 WeakPolarHBondContact O-CB 3.33Å; R190-N194 PolarHBondContact O-N 3.49Å; R190-N194 PolarHBondContact O-OD1 3.17Å; R190-D277 IonicContact NH1-OD1 2.65Å; R190-L300 HydrophobicContact CB-CD2 3.64Å; R190-L300 HydrophobicContact CG-CD2 3.55Å
191	A	93.9	Very high	93.1	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.033	18%	0.181	C	C	.	.	H	α-helix	trans	-63	-44.1	178.1	0	0	0	0	0	110.9	I187 N194 F195 F297 L300	I187-A191 WeakPolarHBondContact O-CB 3.43Å; I187-A191 PolarHBondContact O-N 2.89Å; A191-N194 PolarHBondContact O-N 3.29Å; A191-F195 WeakPolarHBondContact O-CB 3.46Å; A191-F195 PolarHBondContact O-N 3.45Å; A191-F297 HydrophobicContact CB-CD1 4.04Å; A191-L300 HydrophobicContact CB-CB 4.06Å; A191-L300 HydrophobicContact CB-CD2 4.08Å
192	R	94.2	Very high	93	Very high	32 Å²	32	47.4 Å²	47.4	12%	0.121	21%	0.214	C	C	.	.	H	α-helix	trans	-64.2	-45.4	176.7	-165.3	166.7	67.8	-145.7	-4	112.5	I188 R190 N194 F195 L196 D284 G288 V291 F297 G409	I188-R192 WeakPolarHBondContact O-CB 3.18Å; I188-R192 PolarHBondContact O-N 2.98Å; I188-R192 VanDerWaalsContact O-N 3.11Å; R190-R192 VanDerWaalsContact C-N 3.35Å; R192-N194 PolarHBondContact O-N 3.01Å; R192-F195 PolarHBondContact O-N 3.44Å; R192-L196 HydrophobicContact CG-CD1 4.14Å; R192-L196 WeakPolarHBondContact O-CB 3.38Å; R192-L196 WeakPolarHBondContact O-CG 3.41Å; R192-L196 PolarHBondContact O-N 2.67Å; R192-D284 WeakPolarHBondContact CG-OD1 3.45Å; R192-D284 IonicContact CZ-OD1 2.61Å; R192-D284 IonicContact CZ-OD2 3.33Å; R192-D284 IonicContact NE-OD1 3.14Å; R192-D284 PolarHBondContact NE-OD1 3.41Å; R192-D284 IonicContact NE-OD2 2.74Å; R192-D284 IonicContact NH2-OD1 3.71Å; R192-D284 PolarHBondContact NH2-OD1 3.5Å; R192-D284 IonicContact NH2-OD2 3.19Å; R192-D284 PolarHBondContact NH2-OD2 3.18Å; R192-G288 WeakPolarHBondContact CD-O 2.97Å; R192-V291 HydrophobicContact CG-CB 3.88Å; R192-V291 HydrophobicContact CG-CG1 4.1Å; R192-V291 HydrophobicContact CG-CG2 3.86Å; R192-F297 HydrophobicContact CB-CE1 4.14Å; R192-G409 WeakPolarHBondContact CD-O 3.45Å; R192-G409 PolarHBondContact NH1-O 2.99Å
193	Q	94.1	Very high	92.8	Very high	15 Å²	15	54 Å²	54	7%	0.07	24%	0.242	C	C	.	.	H	α-helix	trans	-57.2	-46.5	174.1	-80.8	-179.3	-23.4	0	0	112.6	K189 R190 L197 D281 D284	K189-Q193 HydrophobicContact CG-CG 4.48Å; K189-Q193 WeakPolarHBondContact O-CB 3.5Å; K189-Q193 VanDerWaalsContact O-CG 3.24Å; K189-Q193 WeakPolarHBondContact O-CG 3.43Å; K189-Q193 PolarHBondContact O-N 3.45Å; R190-Q193 PolarHBondContact O-N 3.44Å; Q193-L197 VanDerWaalsContact O-CB 3.29Å; Q193-L197 WeakPolarHBondContact O-CB 3.49Å; Q193-L197 PolarHBondContact O-N 3.13Å; Q193-D281 PolarHBondContact NE2-OD1 3.28Å; Q193-D284 HydrophobicContact CG-CB 3.99Å
194	N	93.5	Very high	92.6	Very high	50 Å²	50	64.1 Å²	64.1	27%	0.267	28%	0.279	S	S	.	.	H	α-helix	trans	-64.4	-46.8	178.8	-72.1	-0.1	0	0	0	111.2	R190 A191 R192 L196 L197 E198	R190-N194 WeakPolarHBondContact O-CB 3.33Å; R190-N194 PolarHBondContact O-N 3.49Å; R190-N194 PolarHBondContact O-OD1 3.17Å; A191-N194 PolarHBondContact O-N 3.29Å; R192-N194 PolarHBondContact O-N 3.01Å; N194-L196 PolarHBondContact O-N 3.29Å; N194-L197 PolarHBondContact O-N 3.44Å; N194-E198 WeakPolarHBondContact O-CB 3.48Å; N194-E198 WeakPolarHBondContact O-CG 3.39Å; N194-E198 PolarHBondContact O-N 2.82Å
195	F	94.6	Very high	92.5	Very high	55 Å²	55	64 Å²	64	24%	0.241	28%	0.281	C	S	.	.	H	α-helix	trans	-58.9	-48.1	178.4	175.6	-104	0	0	0	112.4	A191 R192 L197 E198 Q199 V291 I296	A191-F195 WeakPolarHBondContact O-CB 3.46Å; A191-F195 PolarHBondContact O-N 3.45Å; R192-F195 PolarHBondContact O-N 3.44Å; F195-L197 VanDerWaalsContact C-N 3.34Å; F195-L197 PolarHBondContact O-N 2.89Å; F195-E198 PolarHBondContact O-N 3.48Å; F195-Q199 HydrophobicContact CE1-CG 4.31Å; F195-Q199 HydrophobicContact CE2-CG 4.43Å; F195-Q199 HydrophobicContact CZ-CG 4.25Å; F195-Q199 WeakPolarHBondContact O-CG 3.26Å; F195-Q199 PolarHBondContact O-N 3.15Å; F195-V291 HydrophobicContact CD1-CG1 4.1Å; F195-V291 HydrophobicContact CD1-CG2 4Å; F195-V291 HydrophobicContact CE1-CG1 4.3Å; F195-V291 HydrophobicContact CE1-CG2 4.13Å; F195-I296 HydrophobicContact CB-CG2 3.7Å; F195-I296 HydrophobicContact CD1-CD1 4.13Å; F195-I296 HydrophobicContact CD1-CG2 4.23Å; F195-I296 HydrophobicContact CD2-CD1 4.14Å; F195-I296 HydrophobicContact CD2-CG1 4.19Å; F195-I296 HydrophobicContact CD2-CG2 3.83Å; F195-I296 HydrophobicContact CE1-CD1 3.71Å; F195-I296 HydrophobicContact CE2-CD1 3.72Å; F195-I296 HydrophobicContact CE2-CG1 4Å; F195-I296 HydrophobicContact CE2-CG2 4.47Å; F195-I296 HydrophobicContact CG-CD1 4.3Å; F195-I296 HydrophobicContact CG-CG2 3.66Å; F195-I296 HydrophobicContact CZ-CD1 3.45Å; F195-I296 VanDerWaalsContact CZ-CD1 3.45Å; F195-I296 HydrophobicContact CZ-CG1 4.25Å
196	L	94.8	Very high	92.6	Very high	11 Å²	11	69.5 Å²	69.5	6%	0.058	31%	0.305	C	S	.	.	H	α-helix	trans	-65.4	-37.5	179.1	-69.9	172.4	0	0	0	112.1	R192 N194 Y200 L283 D284 F287 V291	R192-L196 HydrophobicContact CG-CD1 4.14Å; R192-L196 WeakPolarHBondContact O-CB 3.38Å; R192-L196 WeakPolarHBondContact O-CG 3.41Å; R192-L196 PolarHBondContact O-N 2.67Å; N194-L196 PolarHBondContact O-N 3.29Å; L196-Y200 WeakPolarHBondContact O-CB 3.33Å; L196-Y200 PolarHBondContact O-N 2.84Å; L196-L283 HydrophobicContact CB-CB 4.19Å; L196-D284 HydrophobicContact CD1-CB 4.5Å; L196-F287 HydrophobicContact CD1-CB 4.34Å; L196-F287 HydrophobicContact CD2-CB 3.83Å; L196-V291 HydrophobicContact CD1-CG2 4.46Å; L196-V291 HydrophobicContact CD2-CG2 3.9Å; L196-V291 HydrophobicContact CG-CG2 4.18Å
197	L	93.8	Very high	92.5	Very high	14 Å²	14	65.2 Å²	65.2	7%	0.073	29%	0.288	C	S	.	.	H	α-helix	trans	-68.4	-38.8	175.8	-175.9	65.5	0	0	0	111.9	Q193 N194 F195 Y200 R201 K276 L279 L283	Q193-L197 VanDerWaalsContact O-CB 3.29Å; Q193-L197 WeakPolarHBondContact O-CB 3.49Å; Q193-L197 PolarHBondContact O-N 3.13Å; N194-L197 PolarHBondContact O-N 3.44Å; F195-L197 VanDerWaalsContact C-N 3.34Å; F195-L197 PolarHBondContact O-N 2.89Å; L197-Y200 WeakPolarHBondContact O-CB 3.49Å; L197-Y200 PolarHBondContact O-N 2.63Å; L197-R201 WeakPolarHBondContact O-CG 3.21Å; L197-R201 PolarHBondContact O-N 3.24Å; L197-K276 HydrophobicContact CD2-CB 3.92Å; L197-L279 HydrophobicContact CD1-CD2 3.99Å; L197-L279 HydrophobicContact CD1-CG 4.4Å; L197-L283 HydrophobicContact CD1-CD1 4.36Å
198	E	93.4	Very high	92.3	Very high	115 Å²	115	67.5 Å²	67.5	54%	0.537	31%	0.307	S	S	.	.	H	α-helix	trans	-64	-46.8	174	-77.7	173.5	-173.3	0	0	111	N194 F195 Y200 R201 E202	N194-E198 WeakPolarHBondContact O-CB 3.48Å; N194-E198 WeakPolarHBondContact O-CG 3.39Å; N194-E198 PolarHBondContact O-N 2.82Å; F195-E198 PolarHBondContact O-N 3.48Å; E198-Y200 VanDerWaalsContact C-N 3.27Å; E198-Y200 PolarHBondContact O-N 3.32Å; E198-R201 CarbonylContact O-C 3.53Å; E198-R201 WeakPolarHBondContact O-CA 3.15Å; E198-R201 WeakPolarHBondContact O-CB 3.23Å; E198-R201 PolarHBondContact O-N 3.31Å; E198-E202 WeakPolarHBondContact O-CG 3.37Å; E198-E202 PolarHBondContact O-N 3.05Å
199	Q	93.8	Very high	92.3	Very high	68 Å²	68	71.8 Å²	71.8	32%	0.318	33%	0.327	S	S	.	.	H	α-helix	trans	-58.7	-39.5	172.9	-74.4	-164.3	-7.5	0	0	112.6	F195 R201 E202 K203	F195-Q199 HydrophobicContact CE1-CG 4.31Å; F195-Q199 HydrophobicContact CE2-CG 4.43Å; F195-Q199 HydrophobicContact CZ-CG 4.25Å; F195-Q199 WeakPolarHBondContact O-CG 3.26Å; F195-Q199 PolarHBondContact O-N 3.15Å; Q199-R201 VanDerWaalsContact C-N 3.33Å; Q199-E202 PolarHBondContact O-N 3.35Å; Q199-K203 WeakPolarHBondContact O-CG 3.39Å; Q199-K203 PolarHBondContact O-N 3.44Å; Q199-K203 VanDerWaalsContact O-N 3.17Å
200	Y	93.8	Very high	92.3	Very high	22 Å²	22	67.8 Å²	67.8	9%	0.086	31%	0.31	C	S	.	.	H	α-helix	trans	-62.2	-42	175.1	-174.5	-92.1	0	0	0	111.2	L196 L197 E198 P205 I210 D213 L272 L279 L283	L196-Y200 WeakPolarHBondContact O-CB 3.33Å; L196-Y200 PolarHBondContact O-N 2.84Å; L197-Y200 WeakPolarHBondContact O-CB 3.49Å; L197-Y200 PolarHBondContact O-N 2.63Å; E198-Y200 VanDerWaalsContact C-N 3.27Å; E198-Y200 PolarHBondContact O-N 3.32Å; Y200-P205 HydrophobicContact CD1-CG 4Å; Y200-P205 HydrophobicContact CE1-CB 4.41Å; Y200-P205 HydrophobicContact CE1-CG 3.48Å; Y200-P205 VanDerWaalsContact CE1-CG 3.48Å; Y200-P205 HydrophobicContact CE2-CG 4.36Å; Y200-P205 WeakPolarHBondContact O-CD 3.43Å; Y200-I210 HydrophobicContact CE1-CG1 4.3Å; Y200-D213 VanDerWaalsContact CE2-OD2 3.27Å; Y200-D213 WeakPolarHBondContact CE2-OD2 3.49Å; Y200-D213 PolarHBondContact OH-OD2 2.94Å; Y200-L272 HydrophobicContact CD1-CD1 4.16Å; Y200-L272 HydrophobicContact CE1-CD1 3.91Å; Y200-L279 HydrophobicContact CD1-CD2 4.18Å; Y200-L279 HydrophobicContact CE1-CD2 3.96Å; Y200-L283 HydrophobicContact CD2-CD1 4.25Å; Y200-L283 HydrophobicContact CD2-CD2 4.03Å; Y200-L283 HydrophobicContact CG-CD1 4.09Å
201	R	92.4	Very high	92.3	Very high	102 Å²	102	65.3 Å²	65.3	39%	0.385	30%	0.301	S	S	.	.	H	α-helix	trans	-65.2	-42.6	175.1	-75.6	171.5	177	-159.8	-4.7	112.4	L197 E198 Q199 K203 R204 L272 E273	L197-R201 WeakPolarHBondContact O-CG 3.21Å; L197-R201 PolarHBondContact O-N 3.24Å; E198-R201 CarbonylContact O-C 3.53Å; E198-R201 WeakPolarHBondContact O-CA 3.15Å; E198-R201 WeakPolarHBondContact O-CB 3.23Å; E198-R201 PolarHBondContact O-N 3.31Å; Q199-R201 VanDerWaalsContact C-N 3.33Å; R201-K203 VanDerWaalsContact C-N 3.29Å; R201-K203 PolarHBondContact O-N 3.24Å; R201-R204 PolarHBondContact O-N 3.01Å; R201-L272 HydrophobicContact CG-CD2 3.78Å; R201-E273 IonicContact CZ-OE2 3.74Å; R201-E273 IonicContact NH2-OE2 3.62Å; R201-E273 PolarHBondContact NH2-OE2 2.66Å
202	E	93.4	Very high	92.3	Very high	151 Å²	151	69.7 Å²	69.7	71%	0.706	32%	0.321	S	S	*	.	H	α-helix	trans	-63.1	-33.7	-179.8	-75.2	-179	167.9	0	0	112.9	E198 Q199 R204	E198-E202 WeakPolarHBondContact O-CG 3.37Å; E198-E202 PolarHBondContact O-N 3.05Å; Q199-E202 PolarHBondContact O-N 3.35Å; E202-R204 PolarHBondContact O-N 2.97Å
203	K	92.2	Very high	92.3	Very high	159 Å²	159	68.7 Å²	68.7	69%	0.691	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-11.1	174.3	-72	172.2	-175.6	175.5	0	113.6	Q199 R201	Q199-K203 WeakPolarHBondContact O-CG 3.39Å; Q199-K203 PolarHBondContact O-N 3.44Å; Q199-K203 VanDerWaalsContact O-N 3.17Å; R201-K203 VanDerWaalsContact C-N 3.29Å; R201-K203 PolarHBondContact O-N 3.24Å
204	R	88.8	Confident	92.2	Very high	220 Å²	220	68 Å²	68	83%	0.83	32%	0.315	S	S	*	.			trans	46.1	60.1	-178.3	-62.8	-175.5	178.5	-166.8	-1.3	112.8	R201 E202	R201-R204 PolarHBondContact O-N 3.01Å; E202-R204 PolarHBondContact O-N 2.97Å
205	P	89.5	Confident	92.2	Very high	24 Å²	24	68.1 Å²	68.1	16%	0.156	32%	0.316	C	S	.	.			trans	-60.1	144.7	-179.7	23.9	-31.6	0	0	0	110.7	Y200 Q209 I210	Y200-P205 HydrophobicContact CD1-CG 4Å; Y200-P205 HydrophobicContact CE1-CB 4.41Å; Y200-P205 HydrophobicContact CE1-CG 3.48Å; Y200-P205 VanDerWaalsContact CE1-CG 3.48Å; Y200-P205 HydrophobicContact CE2-CG 4.36Å; Y200-P205 WeakPolarHBondContact O-CD 3.43Å; P205-Q209 HydrophobicContact CB-CB 4.18Å; P205-Q209 HydrophobicContact CB-CG 4.1Å; P205-I210 HydrophobicContact CB-CG1 4.05Å; P205-I210 HydrophobicContact CG-CD1 4.09Å; P205-I210 HydrophobicContact CG-CG1 3.75Å
206	Q	90.3	Very high	92.2	Very high	153 Å²	153	68.7 Å²	68.7	72%	0.715	32%	0.321	S	S	*	.			trans	-65.2	153	176.1	-63.8	-177.2	2.8	0	0	110.5	A208 Q209 I210	Q206-A208 PolarHBondContact O-N 3.46Å; Q206-A208 VanDerWaalsContact O-N 3.1Å; Q206-Q209 WeakPolarHBondContact O-CA 3.36Å; Q206-Q209 WeakPolarHBondContact O-CB 3.47Å; Q206-Q209 PolarHBondContact O-N 2.9Å; Q206-I210 PolarHBondContact O-N 3.42Å
207	A	88.6	Confident	92.1	Very high	10 Å²	10	68.2 Å²	68.2	8%	0.083	32%	0.319	C	S	.	.	H	α-helix	trans	-51.2	-37.9	179.7	0	0	0	0	0	113.5	I210 L211 L251 L264 A268	A207-I210 PolarHBondContact O-N 2.84Å; A207-L211 WeakPolarHBondContact O-CB 3.37Å; A207-L211 PolarHBondContact O-N 3.33Å; A207-L251 HydrophobicContact CB-CD1 4.34Å; A207-L264 HydrophobicContact CB-CB 4.09Å; A207-A268 HydrophobicContact CB-CB 3.79Å
208	A	88.8	Confident	92.1	Very high	48 Å²	48	69.4 Å²	69.4	40%	0.397	32%	0.322	S	S	.	.	H	α-helix	trans	-63.8	-39.3	175.9	0	0	0	0	0	113.2	Q206 Q212 M255	Q206-A208 PolarHBondContact O-N 3.46Å; Q206-A208 VanDerWaalsContact O-N 3.1Å; A208-Q212 PolarHBondContact O-N 2.94Å; A208-Q212 VanDerWaalsContact O-N 3.09Å; A208-M255 HydrophobicContact CB-CE 3.52Å
209	Q	91.5	Very high	92	Very high	94 Å²	94	68 Å²	68	44%	0.439	32%	0.322	S	S	.	.	H	α-helix	trans	-67.8	-44.8	177.1	-175.5	62.4	43	0	0	110.6	P205 Q206 L211 Q212 D213	P205-Q209 HydrophobicContact CB-CB 4.18Å; P205-Q209 HydrophobicContact CB-CG 4.1Å; Q206-Q209 WeakPolarHBondContact O-CA 3.36Å; Q206-Q209 WeakPolarHBondContact O-CB 3.47Å; Q206-Q209 PolarHBondContact O-N 2.9Å; Q209-L211 VanDerWaalsContact C-N 3.32Å; Q209-L211 PolarHBondContact O-N 3.13Å; Q209-Q212 PolarHBondContact O-N 2.81Å; Q209-D213 WeakPolarHBondContact CG-OD2 3.34Å; Q209-D213 PolarHBondContact NE2-OD1 3.29Å; Q209-D213 PolarHBondContact NE2-OD2 3.4Å; Q209-D213 WeakPolarHBondContact O-CB 3.26Å; Q209-D213 VanDerWaalsContact O-CG 3.27Å; Q209-D213 PolarHBondContact O-N 2.79Å
210	I	91.4	Very high	91.8	Very high	6 Å²	6	66 Å²	66	3%	0.031	32%	0.315	C	S	.	.	H	α-helix	trans	-58.3	-46.8	176.6	-63.6	169.8	0	0	0	110.3	Y200 P205 Q206 A207 Q212 D213 V214 A268 L271 L272	Y200-I210 HydrophobicContact CE1-CG1 4.3Å; P205-I210 HydrophobicContact CB-CG1 4.05Å; P205-I210 HydrophobicContact CG-CD1 4.09Å; P205-I210 HydrophobicContact CG-CG1 3.75Å; Q206-I210 PolarHBondContact O-N 3.42Å; A207-I210 PolarHBondContact O-N 2.84Å; I210-Q212 PolarHBondContact O-N 3.13Å; I210-D213 PolarHBondContact O-N 3.47Å; I210-V214 HydrophobicContact CG2-CG2 4.36Å; I210-V214 WeakPolarHBondContact O-CB 3.49Å; I210-V214 VanDerWaalsContact O-CG2 3.24Å; I210-V214 WeakPolarHBondContact O-CG2 3.21Å; I210-V214 PolarHBondContact O-N 3.31Å; I210-A268 HydrophobicContact CD1-CB 3.98Å; I210-L271 HydrophobicContact CG2-CD2 4.32Å; I210-L272 HydrophobicContact CG2-CB 4.49Å; I210-L272 HydrophobicContact CG2-CD1 4.3Å
211	L	91.8	Very high	91.6	Very high	18 Å²	18	66.1 Å²	66.1	9%	0.094	32%	0.315	C	S	.	.	H	α-helix	trans	-57.6	-49	177.8	177.3	63.1	0	0	0	111.4	A207 Q209 V214 L215 L248 L251 Q252 M255 L271	A207-L211 WeakPolarHBondContact O-CB 3.37Å; A207-L211 PolarHBondContact O-N 3.33Å; Q209-L211 VanDerWaalsContact C-N 3.32Å; Q209-L211 PolarHBondContact O-N 3.13Å; L211-V214 PolarHBondContact O-N 3.43Å; L211-L215 HydrophobicContact CD1-CD1 4.28Å; L211-L215 HydrophobicContact CD1-CG 4.44Å; L211-L215 HydrophobicContact CG-CD1 4.21Å; L211-L215 VanDerWaalsContact O-CG 3.31Å; L211-L215 WeakPolarHBondContact O-CG 3.32Å; L211-L215 PolarHBondContact O-N 2.74Å; L211-L248 HydrophobicContact CD1-CD2 3.45Å; L211-L248 VanDerWaalsContact CD1-CD2 3.45Å; L211-L251 HydrophobicContact CB-CD2 4.08Å; L211-L251 HydrophobicContact CD1-CD2 4.39Å; L211-Q252 HydrophobicContact CD1-CG 3.7Å; L211-Q252 HydrophobicContact CD2-CG 3.91Å; L211-Q252 HydrophobicContact CG-CG 4.45Å; L211-M255 HydrophobicContact CB-SD 4.28Å; L211-M255 HydrophobicContact CD2-CE 4.18Å; L211-M255 HydrophobicContact CD2-SD 3.45Å; L211-M255 WeakPolarHBondContact CD2-SD 3.27Å; L211-M255 HydrophobicContact CG-SD 4.49Å; L211-L271 HydrophobicContact CD1-CD2 4.2Å
212	Q	93.2	Very high	91.5	Very high	96 Å²	96	67.4 Å²	67.4	45%	0.449	32%	0.321	S	S	.	.	H	α-helix	trans	-65.6	-42.9	-177.8	-171.4	59.2	50.5	0	0	112.3	A208 Q209 I210 L215 N216	A208-Q212 PolarHBondContact O-N 2.94Å; A208-Q212 VanDerWaalsContact O-N 3.09Å; Q209-Q212 PolarHBondContact O-N 2.81Å; I210-Q212 PolarHBondContact O-N 3.13Å; Q212-L215 PolarHBondContact O-N 3.39Å; Q212-N216 PolarHBondContact NE2-OD1 3.05Å; Q212-N216 VanDerWaalsContact NE2-OD1 3.12Å; Q212-N216 PolarHBondContact O-N 3.34Å; Q212-N216 PolarHBondContact O-ND2 2.58Å
213	D	93.9	Very high	91.4	Very high	12 Å²	12	66.4 Å²	66.4	6%	0.064	32%	0.316	C	S	.	.	H	α-helix	trans	-65.2	-40.5	179.5	-69.2	-24.2	0	0	0	111.4	Y200 Q209 I210 N216 A217 L279 W282	Y200-D213 VanDerWaalsContact CE2-OD2 3.27Å; Y200-D213 WeakPolarHBondContact CE2-OD2 3.49Å; Y200-D213 PolarHBondContact OH-OD2 2.94Å; Q209-D213 WeakPolarHBondContact CG-OD2 3.34Å; Q209-D213 PolarHBondContact NE2-OD1 3.29Å; Q209-D213 PolarHBondContact NE2-OD2 3.4Å; Q209-D213 WeakPolarHBondContact O-CB 3.26Å; Q209-D213 VanDerWaalsContact O-CG 3.27Å; Q209-D213 PolarHBondContact O-N 2.79Å; I210-D213 PolarHBondContact O-N 3.47Å; D213-N216 PolarHBondContact O-N 2.98Å; D213-A217 WeakPolarHBondContact O-CB 3.46Å; D213-A217 PolarHBondContact O-N 3.04Å; D213-L279 HydrophobicContact CB-CD1 4.12Å; D213-W282 HydrophobicContact CB-CZ3 4.43Å
214	V	93.7	Very high	91.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.6	-39.8	175.6	173.5	0	0	0	0	111.5	I210 L211 A217 R218 V244 L248 L271 S275 L278	I210-V214 HydrophobicContact CG2-CG2 4.36Å; I210-V214 WeakPolarHBondContact O-CB 3.49Å; I210-V214 VanDerWaalsContact O-CG2 3.24Å; I210-V214 WeakPolarHBondContact O-CG2 3.21Å; I210-V214 PolarHBondContact O-N 3.31Å; L211-V214 PolarHBondContact O-N 3.43Å; V214-A217 PolarHBondContact O-N 3.04Å; V214-R218 VanDerWaalsContact O-CB 3.27Å; V214-R218 WeakPolarHBondContact O-CB 3.43Å; V214-R218 PolarHBondContact O-N 3.16Å; V214-V244 HydrophobicContact CG1-CG1 4.02Å; V214-L248 HydrophobicContact CG1-CD2 4.16Å; V214-L271 HydrophobicContact CB-CD2 4.38Å; V214-L271 HydrophobicContact CG1-CD1 4.07Å; V214-L271 HydrophobicContact CG1-CG 4.43Å; V214-L271 HydrophobicContact CG2-CD2 4.34Å; V214-L271 HydrophobicContact CG2-CG 4.25Å; V214-S275 VanDerWaalsContact CG2-OG 3.26Å; V214-S275 WeakPolarHBondContact CG2-OG 3.28Å; V214-L278 HydrophobicContact CG1-CD1 4.5Å
215	L	92.9	Very high	91.1	Very high	53 Å²	53	52.7 Å²	52.7	28%	0.277	26%	0.264	S	S	.	.	H	α-helix	trans	-62.1	-44.8	174.5	-72.6	171.8	0	0	0	111.6	L211 Q212 A217 R218 L248	L211-L215 HydrophobicContact CD1-CD1 4.28Å; L211-L215 HydrophobicContact CD1-CG 4.44Å; L211-L215 HydrophobicContact CG-CD1 4.21Å; L211-L215 VanDerWaalsContact O-CG 3.31Å; L211-L215 WeakPolarHBondContact O-CG 3.32Å; L211-L215 PolarHBondContact O-N 2.74Å; Q212-L215 PolarHBondContact O-N 3.39Å; L215-A217 PolarHBondContact O-N 3.48Å; L215-R218 PolarHBondContact O-N 3.32Å; L215-L248 HydrophobicContact CD2-CD1 4.22Å; L215-L248 HydrophobicContact CD2-CD2 4.28Å
216	N	93.4	Very high	91.1	Very high	66 Å²	66	55.4 Å²	55.4	35%	0.353	29%	0.289	S	S	.	.	H	α-helix	trans	-62.4	-43.2	176.9	-68.7	-19.4	0	0	0	111.7	Q212 D213 R218 V219 P220 W282	Q212-N216 PolarHBondContact NE2-OD1 3.05Å; Q212-N216 VanDerWaalsContact NE2-OD1 3.12Å; Q212-N216 PolarHBondContact O-N 3.34Å; Q212-N216 PolarHBondContact O-ND2 2.58Å; D213-N216 PolarHBondContact O-N 2.98Å; N216-R218 VanDerWaalsContact C-N 3.3Å; N216-R218 PolarHBondContact O-N 3.4Å; N216-V219 PolarHBondContact O-N 2.85Å; N216-P220 WeakPolarHBondContact O-CD 3.28Å; N216-W282 HydrophobicContact CB-CZ2 4.45Å
217	A	93.6	Very high	91.1	Very high	2 Å²	2	52.2 Å²	52.2	2%	0.017	28%	0.284	C	S	.	.	H	α-helix	trans	-70.8	-25.7	-179.7	0	0	0	0	0	112.6	D213 V214 L215 P220 L278 L279 W282	D213-A217 WeakPolarHBondContact O-CB 3.46Å; D213-A217 PolarHBondContact O-N 3.04Å; V214-A217 PolarHBondContact O-N 3.04Å; L215-A217 PolarHBondContact O-N 3.48Å; A217-P220 WeakPolarHBondContact O-CD 3.4Å; A217-P220 WeakPolarHBondContact O-CG 3.49Å; A217-L278 HydrophobicContact CB-CD1 3.29Å; A217-L279 HydrophobicContact CB-CD1 4.41Å; A217-W282 HydrophobicContact CB-CB 3.34Å; A217-W282 HydrophobicContact CB-CD2 4.06Å; A217-W282 HydrophobicContact CB-CG 3.5Å; A217-W282 VanDerWaalsContact CB-CG 3.5Å
218	R	92.9	Very high	91	Very high	38 Å²	38	52.5 Å²	52.5	14%	0.143	28%	0.284	C	S	.	.	H	α-helix	trans	-72.8	-26.6	177.4	-168.9	177	178.5	-153.4	-1.6	113.5	V214 L215 N216 F221 R222 D241 L278	V214-R218 VanDerWaalsContact O-CB 3.27Å; V214-R218 WeakPolarHBondContact O-CB 3.43Å; V214-R218 PolarHBondContact O-N 3.16Å; L215-R218 PolarHBondContact O-N 3.32Å; N216-R218 VanDerWaalsContact C-N 3.3Å; N216-R218 PolarHBondContact O-N 3.4Å; R218-F221 PolarHBondContact O-N 3.01Å; R218-R222 HydrophobicContact CG-CG 4.4Å; R218-R222 WeakPolarHBondContact O-CG 3.31Å; R218-R222 PolarHBondContact O-N 3.34Å; R218-D241 IonicContact CZ-OD1 2.75Å; R218-D241 IonicContact CZ-OD2 3.85Å; R218-D241 IonicContact NE-OD1 2.87Å; R218-D241 PolarHBondContact NE-OD1 2.95Å; R218-D241 IonicContact NE-OD2 3.55Å; R218-D241 VanDerWaalsContact NH2-CG 3.35Å; R218-D241 IonicContact NH2-OD1 3.93Å; R218-D241 PolarHBondContact NH2-OD1 2.87Å; R218-D241 IonicContact NH2-OD2 3.1Å; R218-D241 PolarHBondContact NH2-OD2 3.27Å; R218-L278 HydrophobicContact CB-CD1 4.35Å
219	V	91.9	Very high	90.8	Very high	86 Å²	86	56.9 Å²	56.9	52%	0.521	31%	0.306	S	S	.	.	H	α-helix	trans	-58.4	-61.1	177.9	176.1	0	0	0	0	112.1	N216 F221 R222 E223	N216-V219 PolarHBondContact O-N 2.85Å; V219-F221 PolarHBondContact O-N 3.27Å; V219-R222 PolarHBondContact O-N 3.38Å; V219-R222 VanDerWaalsContact O-N 3.14Å; V219-E223 PolarHBondContact O-N 3.01Å
220	P	90.3	Very high	90.3	Very high	26 Å²	26	55.9 Å²	55.9	17%	0.169	30%	0.304	C	S	.	.	H	α-helix	trans	-65.4	-27.3	179.3	26.4	-35	0	0	0	112.7	N216 A217 E223 Q224	N216-P220 WeakPolarHBondContact O-CD 3.28Å; A217-P220 WeakPolarHBondContact O-CD 3.4Å; A217-P220 WeakPolarHBondContact O-CG 3.49Å; P220-E223 PolarHBondContact O-N 3.39Å; P220-Q224 PolarHBondContact O-N 2.86Å
221	F	90	Very high	89.7	Confident	24 Å²	24	60 Å²	60	11%	0.105	33%	0.331	C	S	.	.	H	α-helix	trans	-63.6	-41.4	174.6	-176.8	-95.5	0	0	0	111.9	R218 V219 Q224 L225 L237 L240 D241 L278	R218-F221 PolarHBondContact O-N 3.01Å; V219-F221 PolarHBondContact O-N 3.27Å; F221-Q224 WeakPolarHBondContact O-CB 3.45Å; F221-Q224 PolarHBondContact O-N 3.07Å; F221-L225 WeakPolarHBondContact O-CB 3.33Å; F221-L225 PolarHBondContact O-N 3.12Å; F221-L237 HydrophobicContact CE2-CD2 3.7Å; F221-L237 HydrophobicContact CZ-CB 4.28Å; F221-L237 HydrophobicContact CZ-CD2 3.65Å; F221-L240 HydrophobicContact CZ-CB 4.04Å; F221-L240 HydrophobicContact CZ-CD1 4.47Å; F221-D241 HydrophobicContact CE1-CB 4.08Å; F221-L278 HydrophobicContact CD2-CB 4.14Å; F221-L278 HydrophobicContact CG-CB 4.36Å
222	R	90.4	Very high	88.8	Confident	130 Å²	130	63.4 Å²	63.4	49%	0.491	35%	0.349	S	S	.	.	H	α-helix	trans	-69.9	-32.1	176.9	-78.1	-176.8	143.9	-157	-12.6	113.3	R218 V219 L225 A226 D241	R218-R222 HydrophobicContact CG-CG 4.4Å; R218-R222 WeakPolarHBondContact O-CG 3.31Å; R218-R222 PolarHBondContact O-N 3.34Å; V219-R222 PolarHBondContact O-N 3.38Å; V219-R222 VanDerWaalsContact O-N 3.14Å; R222-L225 WeakPolarHBondContact O-CB 3.44Å; R222-L225 PolarHBondContact O-N 3Å; R222-A226 WeakPolarHBondContact O-CB 3.47Å; R222-A226 PolarHBondContact O-N 3.3Å; R222-D241 IonicContact CZ-OD2 3.8Å; R222-D241 IonicContact NE-OD1 3.22Å; R222-D241 IonicContact NE-OD2 2.87Å; R222-D241 PolarHBondContact NE-OD2 3.32Å; R222-D241 VanDerWaalsContact NE-OD2 3.14Å; R222-D241 IonicContact NH2-OD2 3.42Å; R222-D241 PolarHBondContact NH2-OD2 2.98Å; R222-D241 VanDerWaalsContact NH2-OD2 3.1Å
223	E	90.1	Very high	88	Confident	129 Å²	129	63.5 Å²	63.5	60%	0.603	35%	0.348	S	S	*	.	H	α-helix	trans	-65.7	-41.6	171.7	-66.6	174.5	170.2	0	0	111.4	V219 P220 A226 S227	V219-E223 PolarHBondContact O-N 3.01Å; P220-E223 PolarHBondContact O-N 3.39Å; E223-A226 PolarHBondContact O-N 3.35Å; E223-S227 PolarHBondContact O-N 3.09Å; E223-S227 VanDerWaalsContact O-N 3.1Å; E223-S227 PolarHBondContact O-OG 2.84Å
224	Q	87.2	Confident	87.5	Confident	65 Å²	65	66.8 Å²	66.8	30%	0.304	36%	0.362	S	S	.	.	H	α-helix	trans	-64.3	-40.8	173.5	-175.2	-175.8	-34.8	0	0	111.9	P220 F221 A226 S227 T228	P220-Q224 PolarHBondContact O-N 2.86Å; F221-Q224 WeakPolarHBondContact O-CB 3.45Å; F221-Q224 PolarHBondContact O-N 3.07Å; Q224-A226 VanDerWaalsContact C-N 3.33Å; Q224-A226 PolarHBondContact O-N 2.74Å; Q224-S227 WeakPolarHBondContact CA-OG 3.47Å; Q224-S227 PolarHBondContact O-N 2.94Å; Q224-S227 PolarHBondContact O-OG 3.19Å; Q224-S227 VanDerWaalsContact O-OG 3.11Å; Q224-T228 PolarHBondContact O-N 2.94Å; Q224-T228 VanDerWaalsContact O-N 3.13Å; Q224-T228 PolarHBondContact O-OG1 3.04Å
225	L	88.6	Confident	87	Confident	26 Å²	26	71.3 Å²	71.3	14%	0.136	38%	0.383	C	S	.	.	H	α-helix	trans	-57.4	-47.1	174	-179.7	78.6	0	0	0	111.1	F221 R222 S227 T228 L237 E238	F221-L225 WeakPolarHBondContact O-CB 3.33Å; F221-L225 PolarHBondContact O-N 3.12Å; R222-L225 WeakPolarHBondContact O-CB 3.44Å; R222-L225 PolarHBondContact O-N 3Å; L225-S227 VanDerWaalsContact C-N 3.33Å; L225-S227 PolarHBondContact O-N 3.46Å; L225-T228 PolarHBondContact O-N 2.94Å; L225-L237 HydrophobicContact CD1-CB 3.23Å; L225-L237 HydrophobicContact CD1-CD1 4.34Å; L225-L237 HydrophobicContact CD1-CG 4.41Å; L225-E238 HydrophobicContact CD1-CG 3.81Å; L225-E238 HydrophobicContact CD2-CG 4.44Å
226	A	89	Confident	86.6	Confident	82 Å²	82	70.4 Å²	70.4	68%	0.678	38%	0.378	S	S	*	.	H	α-helix	trans	-65.9	-33.3	-178.4	0	0	0	0	0	113.2	R222 E223 Q224	R222-A226 WeakPolarHBondContact O-CB 3.47Å; R222-A226 PolarHBondContact O-N 3.3Å; E223-A226 PolarHBondContact O-N 3.35Å; Q224-A226 VanDerWaalsContact C-N 3.33Å; Q224-A226 PolarHBondContact O-N 2.74Å
227	S	89.1	Confident	86.2	Confident	86 Å²	86	67.6 Å²	67.6	60%	0.601	36%	0.363	S	S	*	.	H	α-helix	trans	-86	-7.6	179.1	53.3	0	0	0	0	114.3	E223 Q224 L225 T229	E223-S227 PolarHBondContact O-N 3.09Å; E223-S227 VanDerWaalsContact O-N 3.1Å; E223-S227 PolarHBondContact O-OG 2.84Å; Q224-S227 WeakPolarHBondContact CA-OG 3.47Å; Q224-S227 PolarHBondContact O-N 2.94Å; Q224-S227 PolarHBondContact O-OG 3.19Å; Q224-S227 VanDerWaalsContact O-OG 3.11Å; L225-S227 VanDerWaalsContact C-N 3.33Å; L225-S227 PolarHBondContact O-N 3.46Å; S227-T229 PolarHBondContact O-N 3.38Å
228	T	86.8	Confident	86	Confident	16 Å²	16	71.9 Å²	71.9	10%	0.098	38%	0.383	C	S	.	.			trans	-76.8	119.3	179.2	-63.7	0	0	0	0	110.9	Q224 L225 K233 K234 L237	Q224-T228 PolarHBondContact O-N 2.94Å; Q224-T228 VanDerWaalsContact O-N 3.13Å; Q224-T228 PolarHBondContact O-OG1 3.04Å; L225-T228 PolarHBondContact O-N 2.94Å; T228-K233 HydrophobicContact CG2-CB 3.98Å; T228-K233 HydrophobicContact CG2-CD 3.98Å; T228-K233 HydrophobicContact CG2-CG 3.94Å; T228-K234 HydrophobicContact CG2-CB 4.13Å; T228-L237 HydrophobicContact CG2-CD1 4.33Å
229	T	84.7	Confident	85.8	Confident	140 Å²	140	77.7 Å²	77.7	86%	0.859	40%	0.404	S	S	*	.			trans	-93.8	-25.9	-179.2	51.7	0	0	0	0	113.8	S227	S227-T229 PolarHBondContact O-N 3.38Å
230	D	80.8	Confident	85.5	Confident	72 Å²	72	75.6 Å²	75.6	39%	0.385	39%	0.39	S	S	.	.			trans	-69.3	121.9	178.7	-180	-92.1	0	0	0	110.6	D232 K233 K234	D230-D232 PolarHBondContact O-N 2.88Å; D230-D232 PolarHBondContact OD1-N 3.37Å; D230-K233 HydrophobicContact CB-CB 3.97Å; D230-K233 PolarHBondContact O-N 3.05Å; D230-K233 VanDerWaalsContact OD1-CB 3.23Å; D230-K233 WeakPolarHBondContact OD1-CB 3.47Å; D230-K233 PolarHBondContact OD1-N 2.76Å; D230-K234 VanDerWaalsContact O-CB 3.25Å; D230-K234 WeakPolarHBondContact O-CB 3.05Å; D230-K234 PolarHBondContact O-N 3.42Å
231	P	78.6	Confident	85.6	Confident	94 Å²	94	75 Å²	75	61%	0.61	39%	0.386	S	S	*	.	H	α-helix	trans	-65.5	-39.6	-170.8	22.5	-30.9	0	0	0	112.9	K234 Q235	P231-K234 PolarHBondContact O-N 3.34Å; P231-Q235 WeakPolarHBondContact O-CB 3.31Å; P231-Q235 PolarHBondContact O-N 2.75Å
232	D	72.9	Confident	85.6	Confident	89 Å²	89	76.7 Å²	76.7	48%	0.476	40%	0.404	S	S	.	.	H	α-helix	trans	-71.4	-43.2	-178.6	-64.9	-28	0	0	0	110.9	D230 K234 Q235 M236 L491	D230-D232 PolarHBondContact O-N 2.88Å; D230-D232 PolarHBondContact OD1-N 3.37Å; D232-K234 VanDerWaalsContact C-N 3.34Å; D232-K234 PolarHBondContact O-N 2.71Å; D232-Q235 PolarHBondContact O-N 2.71Å; D232-M236 PolarHBondContact O-N 3.41Å; D232-L491 HydrophobicContact CB-CD2 3.47Å; D232-L491 VanDerWaalsContact CB-CD2 3.47Å
233	K	76.9	Confident	85.7	Confident	97 Å²	97	72.3 Å²	72.3	42%	0.422	40%	0.395	S	S	.	.	H	α-helix	trans	-63.7	-39.9	175.1	-170.5	178.6	-179.8	-177	0	111.5	T228 D230 M236 L237	T228-K233 HydrophobicContact CG2-CB 3.98Å; T228-K233 HydrophobicContact CG2-CD 3.98Å; T228-K233 HydrophobicContact CG2-CG 3.94Å; D230-K233 HydrophobicContact CB-CB 3.97Å; D230-K233 PolarHBondContact O-N 3.05Å; D230-K233 VanDerWaalsContact OD1-CB 3.23Å; D230-K233 WeakPolarHBondContact OD1-CB 3.47Å; D230-K233 PolarHBondContact OD1-N 2.76Å; K233-M236 PolarHBondContact O-N 2.79Å; K233-L237 HydrophobicContact CG-CD1 4.42Å; K233-L237 WeakPolarHBondContact O-CG 3.43Å; K233-L237 PolarHBondContact O-N 3.06Å
234	K	84.1	Confident	85.8	Confident	82 Å²	82	66.3 Å²	66.3	36%	0.357	37%	0.367	S	S	.	.	H	α-helix	trans	-62.5	-49.5	176.2	-174.2	173.2	-179.5	174.1	0	110.7	T228 D230 P231 D232 M236 L237 E238	T228-K234 HydrophobicContact CG2-CB 4.13Å; D230-K234 VanDerWaalsContact O-CB 3.25Å; D230-K234 WeakPolarHBondContact O-CB 3.05Å; D230-K234 PolarHBondContact O-N 3.42Å; P231-K234 PolarHBondContact O-N 3.34Å; D232-K234 VanDerWaalsContact C-N 3.34Å; D232-K234 PolarHBondContact O-N 2.71Å; K234-M236 VanDerWaalsContact C-N 3.27Å; K234-M236 PolarHBondContact O-N 2.82Å; K234-L237 PolarHBondContact O-N 2.73Å; K234-L237 VanDerWaalsContact O-N 3.12Å; K234-E238 WeakPolarHBondContact CE-OE1 3.37Å; K234-E238 HydrophobicContact CG-CG 4.41Å; K234-E238 WeakPolarHBondContact O-CG 3.37Å; K234-E238 PolarHBondContact O-N 3.48Å
235	Q	83.3	Confident	86	Confident	94 Å²	94	64.5 Å²	64.5	44%	0.439	36%	0.364	S	S	.	.	H	α-helix	trans	-57.5	-40.5	177.3	-168.4	-173.8	39.3	0	0	112.1	P231 D232 E238 R239	P231-Q235 WeakPolarHBondContact O-CB 3.31Å; P231-Q235 PolarHBondContact O-N 2.75Å; D232-Q235 PolarHBondContact O-N 2.71Å; Q235-E238 PolarHBondContact O-N 2.89Å; Q235-R239 VanDerWaalsContact NE2-NH2 3.14Å; Q235-R239 WeakPolarHBondContact O-CG 3.16Å; Q235-R239 PolarHBondContact O-N 3.04Å; Q235-R239 VanDerWaalsContact O-N 3.11Å
236	M	83.1	Confident	86.3	Confident	34 Å²	34	66.1 Å²	66.1	17%	0.167	38%	0.381	C	S	.	.	H	α-helix	trans	-61.5	-48.3	175.3	-174.7	-142.6	66.2	0	0	111.9	D232 K233 K234 E238 R239 L240 K492	D232-M236 PolarHBondContact O-N 3.41Å; K233-M236 PolarHBondContact O-N 2.79Å; K234-M236 VanDerWaalsContact C-N 3.27Å; K234-M236 PolarHBondContact O-N 2.82Å; M236-E238 VanDerWaalsContact C-N 3.34Å; M236-E238 PolarHBondContact O-N 2.94Å; M236-R239 PolarHBondContact O-N 3.08Å; M236-L240 HydrophobicContact CE-CD1 3.86Å; M236-L240 PolarHBondContact O-N 3.41Å; M236-L240 VanDerWaalsContact O-N 3.13Å; M236-K492 HydrophobicContact CG-CD 4.47Å; M236-K492 HydrophobicContact SD-CD 3.89Å; M236-K492 HydrophobicContact SD-CG 3.98Å
237	L	86.2	Confident	86.4	Confident	8 Å²	8	62.7 Å²	62.7	4%	0.042	35%	0.352	C	S	.	.	H	α-helix	trans	-65.2	-36.3	179.6	-68	172.6	0	0	0	112	F221 L225 T228 K233 K234 L240 D241	F221-L237 HydrophobicContact CE2-CD2 3.7Å; F221-L237 HydrophobicContact CZ-CB 4.28Å; F221-L237 HydrophobicContact CZ-CD2 3.65Å; L225-L237 HydrophobicContact CD1-CB 3.23Å; L225-L237 HydrophobicContact CD1-CD1 4.34Å; L225-L237 HydrophobicContact CD1-CG 4.41Å; T228-L237 HydrophobicContact CG2-CD1 4.33Å; K233-L237 HydrophobicContact CG-CD1 4.42Å; K233-L237 WeakPolarHBondContact O-CG 3.43Å; K233-L237 PolarHBondContact O-N 3.06Å; K234-L237 PolarHBondContact O-N 2.73Å; K234-L237 VanDerWaalsContact O-N 3.12Å; L237-L240 PolarHBondContact O-N 2.9Å; L237-D241 PolarHBondContact O-N 3.48Å
238	E	89.4	Confident	86.6	Confident	92 Å²	92	58.7 Å²	58.7	43%	0.43	32%	0.324	S	S	.	.	H	α-helix	trans	-61.7	-42.7	174.2	-70.8	175	168.6	0	0	111.4	L225 K234 Q235 M236 L240 D241 A242	L225-E238 HydrophobicContact CD1-CG 3.81Å; L225-E238 HydrophobicContact CD2-CG 4.44Å; K234-E238 WeakPolarHBondContact CE-OE1 3.37Å; K234-E238 HydrophobicContact CG-CG 4.41Å; K234-E238 WeakPolarHBondContact O-CG 3.37Å; K234-E238 PolarHBondContact O-N 3.48Å; Q235-E238 PolarHBondContact O-N 2.89Å; M236-E238 VanDerWaalsContact C-N 3.34Å; M236-E238 PolarHBondContact O-N 2.94Å; E238-L240 VanDerWaalsContact C-N 3.33Å; E238-L240 PolarHBondContact O-N 3.41Å; E238-D241 PolarHBondContact O-N 3.35Å; E238-A242 WeakPolarHBondContact O-CB 3.06Å; E238-A242 PolarHBondContact O-N 3.4Å
239	R	87.5	Confident	86.7	Confident	159 Å²	159	64.7 Å²	64.7	60%	0.6	35%	0.351	S	S	*	.	H	α-helix	trans	-62.4	-39.4	175.2	-70.7	177.2	-166.7	171	7.8	112.1	Q235 M236 A242 A243	Q235-R239 VanDerWaalsContact NE2-NH2 3.14Å; Q235-R239 WeakPolarHBondContact O-CG 3.16Å; Q235-R239 PolarHBondContact O-N 3.04Å; Q235-R239 VanDerWaalsContact O-N 3.11Å; M236-R239 PolarHBondContact O-N 3.08Å; R239-A242 PolarHBondContact O-N 3.02Å; R239-A243 PolarHBondContact O-N 3.26Å
240	L	87.2	Confident	87	Confident	43 Å²	43	61 Å²	61	23%	0.225	33%	0.33	C	S	.	.	H	α-helix	trans	-66.2	-45.7	175.9	-68.3	173.4	0	0	0	111.4	F221 M236 L237 E238 A242 A243 V244	F221-L240 HydrophobicContact CZ-CB 4.04Å; F221-L240 HydrophobicContact CZ-CD1 4.47Å; M236-L240 HydrophobicContact CE-CD1 3.86Å; M236-L240 PolarHBondContact O-N 3.41Å; M236-L240 VanDerWaalsContact O-N 3.13Å; L237-L240 PolarHBondContact O-N 2.9Å; E238-L240 VanDerWaalsContact C-N 3.33Å; E238-L240 PolarHBondContact O-N 3.41Å; L240-A242 VanDerWaalsContact C-N 3.28Å; L240-A242 PolarHBondContact O-N 3.22Å; L240-A243 PolarHBondContact O-N 3.05Å; L240-V244 VanDerWaalsContact O-CG2 3.23Å; L240-V244 WeakPolarHBondContact O-CG2 3.36Å; L240-V244 PolarHBondContact O-N 2.85Å
241	D	91.1	Very high	87.5	Confident	14 Å²	14	57.6 Å²	57.6	8%	0.075	31%	0.312	C	S	.	.	H	α-helix	trans	-60.4	-40.1	176.2	-166.7	58.2	0	0	0	111.4	R218 F221 R222 L237 E238 V244 A245	R218-D241 IonicContact CZ-OD1 2.75Å; R218-D241 IonicContact CZ-OD2 3.85Å; R218-D241 IonicContact NE-OD1 2.87Å; R218-D241 PolarHBondContact NE-OD1 2.95Å; R218-D241 IonicContact NE-OD2 3.55Å; R218-D241 VanDerWaalsContact NH2-CG 3.35Å; R218-D241 IonicContact NH2-OD1 3.93Å; R218-D241 PolarHBondContact NH2-OD1 2.87Å; R218-D241 IonicContact NH2-OD2 3.1Å; R218-D241 PolarHBondContact NH2-OD2 3.27Å; F221-D241 HydrophobicContact CE1-CB 4.08Å; R222-D241 IonicContact CZ-OD2 3.8Å; R222-D241 IonicContact NE-OD1 3.22Å; R222-D241 IonicContact NE-OD2 2.87Å; R222-D241 PolarHBondContact NE-OD2 3.32Å; R222-D241 VanDerWaalsContact NE-OD2 3.14Å; R222-D241 IonicContact NH2-OD2 3.42Å; R222-D241 PolarHBondContact NH2-OD2 2.98Å; R222-D241 VanDerWaalsContact NH2-OD2 3.1Å; L237-D241 PolarHBondContact O-N 3.48Å; E238-D241 PolarHBondContact O-N 3.35Å; D241-V244 PolarHBondContact O-N 2.94Å; D241-A245 VanDerWaalsContact O-CB 3.28Å; D241-A245 WeakPolarHBondContact O-CB 3.44Å; D241-A245 PolarHBondContact O-N 3.31Å
242	A	91.4	Very high	88	Confident	58 Å²	58	56.1 Å²	56.1	48%	0.479	30%	0.296	S	S	.	.	H	α-helix	trans	-64.9	-43.1	177.9	0	0	0	0	0	112.3	E238 R239 L240 A245 A246	E238-A242 WeakPolarHBondContact O-CB 3.06Å; E238-A242 PolarHBondContact O-N 3.4Å; R239-A242 PolarHBondContact O-N 3.02Å; L240-A242 VanDerWaalsContact C-N 3.28Å; L240-A242 PolarHBondContact O-N 3.22Å; A242-A245 PolarHBondContact O-N 2.94Å; A242-A246 WeakPolarHBondContact O-CB 3.33Å; A242-A246 PolarHBondContact O-N 3.4Å
243	A	91	Very high	88.8	Confident	38 Å²	38	53.2 Å²	53.2	31%	0.314	29%	0.288	S	S	.	.	H	α-helix	trans	-62.9	-43	176.4	0	0	0	0	0	111.9	R239 L240 A246 A247	R239-A243 PolarHBondContact O-N 3.26Å; L240-A243 PolarHBondContact O-N 3.05Å; A243-A246 PolarHBondContact O-N 2.89Å; A243-A247 PolarHBondContact O-N 3.2Å
244	V	92.9	Very high	89.3	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.018	27%	0.273	C	S	.	.	H	α-helix	trans	-64.3	-44	175.7	174.9	0	0	0	0	110.7	V214 L240 D241 A246 A247 L248 N274 L278	V214-V244 HydrophobicContact CG1-CG1 4.02Å; L240-V244 VanDerWaalsContact O-CG2 3.23Å; L240-V244 WeakPolarHBondContact O-CG2 3.36Å; L240-V244 PolarHBondContact O-N 2.85Å; D241-V244 PolarHBondContact O-N 2.94Å; V244-A246 VanDerWaalsContact C-N 3.33Å; V244-A246 PolarHBondContact O-N 3.46Å; V244-A247 PolarHBondContact O-N 3.36Å; V244-L248 HydrophobicContact CG1-CD1 4Å; V244-L248 HydrophobicContact CG1-CG 4.37Å; V244-L248 WeakPolarHBondContact O-CG 3.01Å; V244-L248 PolarHBondContact O-N 2.9Å; V244-N274 WeakPolarHBondContact CG2-O 3.33Å; V244-L278 HydrophobicContact CB-CD2 4.08Å; V244-L278 HydrophobicContact CG1-CD2 3.64Å; V244-L278 HydrophobicContact CG2-CD2 3.35Å
245	A	92.2	Very high	89.5	Confident	27 Å²	27	48.1 Å²	48.1	22%	0.223	27%	0.27	C	S	.	.	H	α-helix	trans	-60.3	-42.3	177.1	0	0	0	0	0	112.2	D241 A242 A247 L248 Q249	D241-A245 VanDerWaalsContact O-CB 3.28Å; D241-A245 WeakPolarHBondContact O-CB 3.44Å; D241-A245 PolarHBondContact O-N 3.31Å; A242-A245 PolarHBondContact O-N 2.94Å; A245-A247 VanDerWaalsContact C-N 3.32Å; A245-A247 PolarHBondContact O-N 2.68Å; A245-L248 PolarHBondContact O-N 2.89Å; A245-Q249 PolarHBondContact O-N 3.15Å
246	A	93.1	Very high	89.7	Confident	60 Å²	60	51.6 Å²	51.6	50%	0.496	29%	0.286	S	S	.	.	H	α-helix	trans	-64.5	-35.6	176.6	0	0	0	0	0	112.3	A242 A243 V244 P250	A242-A246 WeakPolarHBondContact O-CB 3.33Å; A242-A246 PolarHBondContact O-N 3.4Å; A243-A246 PolarHBondContact O-N 2.89Å; V244-A246 VanDerWaalsContact C-N 3.33Å; V244-A246 PolarHBondContact O-N 3.46Å; A246-P250 WeakPolarHBondContact O-CD 3.34Å
247	A	92.1	Very high	89.9	Confident	10 Å²	10	54.6 Å²	54.6	8%	0.083	31%	0.31	C	S	.	.	H	α-helix	trans	-77.1	-24.9	176	0	0	0	0	0	113.5	A243 V244 A245 V270 L271 N274	A243-A247 PolarHBondContact O-N 3.2Å; V244-A247 PolarHBondContact O-N 3.36Å; A245-A247 VanDerWaalsContact C-N 3.32Å; A245-A247 PolarHBondContact O-N 2.68Å; A247-V270 HydrophobicContact CB-CG1 4.47Å; A247-L271 HydrophobicContact CB-CD1 3.96Å; A247-N274 HydrophobicContact CB-CB 3.97Å
248	L	92.4	Very high	89.8	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-70.1	-42.5	177.7	-80.9	167.1	0	0	0	112.5	L211 V214 L215 V244 A245 L251 Q252 L271	L211-L248 HydrophobicContact CD1-CD2 3.45Å; L211-L248 VanDerWaalsContact CD1-CD2 3.45Å; V214-L248 HydrophobicContact CG1-CD2 4.16Å; L215-L248 HydrophobicContact CD2-CD1 4.22Å; L215-L248 HydrophobicContact CD2-CD2 4.28Å; V244-L248 HydrophobicContact CG1-CD1 4Å; V244-L248 HydrophobicContact CG1-CG 4.37Å; V244-L248 WeakPolarHBondContact O-CG 3.01Å; V244-L248 PolarHBondContact O-N 2.9Å; A245-L248 PolarHBondContact O-N 2.89Å; L248-L251 PolarHBondContact O-N 2.86Å; L248-Q252 WeakPolarHBondContact O-CG 3.32Å; L248-Q252 PolarHBondContact O-N 3.4Å; L248-L271 HydrophobicContact CB-CD1 4.5Å; L248-L271 HydrophobicContact CD2-CD1 3.71Å; L248-L271 HydrophobicContact CD2-CD2 3.77Å; L248-L271 HydrophobicContact CD2-CG 4.41Å; L248-L271 HydrophobicContact CG-CD1 3.73Å
249	Q	90.4	Very high	89.6	Confident	142 Å²	142	58.7 Å²	58.7	66%	0.664	34%	0.34	S	S	*	.	H	α-helix	trans	-57	-47.7	-172.6	-72.4	178.8	-19.8	0	0	114	A245 L251 Q252 G253	A245-Q249 PolarHBondContact O-N 3.15Å; Q249-L251 PolarHBondContact O-N 3.33Å; Q249-Q252 PolarHBondContact O-N 3.25Å; Q249-G253 PolarHBondContact O-N 2.87Å
250	P	91	Very high	89.5	Confident	64 Å²	64	54 Å²	54	42%	0.416	34%	0.335	S	S	.	.	H	α-helix	trans	-64.2	-39.7	-179.7	-23.8	35.7	0	0	0	113	A246 A254 L267	A246-P250 WeakPolarHBondContact O-CD 3.34Å; P250-A254 VanDerWaalsContact O-CB 3.3Å; P250-A254 WeakPolarHBondContact O-CB 3.42Å; P250-A254 PolarHBondContact O-N 3.19Å; P250-L267 HydrophobicContact CB-CD1 4.43Å; P250-L267 HydrophobicContact CB-CD2 3.95Å
251	L	89.9	Confident	89.1	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-69.2	-42.7	-179.8	-176.4	63.6	0	0	0	111.3	A207 L211 L248 Q249 A254 M255 L264 L267 A268 L271	A207-L251 HydrophobicContact CB-CD1 4.34Å; L211-L251 HydrophobicContact CB-CD2 4.08Å; L211-L251 HydrophobicContact CD1-CD2 4.39Å; L248-L251 PolarHBondContact O-N 2.86Å; Q249-L251 PolarHBondContact O-N 3.33Å; L251-A254 PolarHBondContact O-N 3.3Å; L251-M255 HydrophobicContact CG-SD 4.37Å; L251-M255 WeakPolarHBondContact O-CB 3.4Å; L251-M255 WeakPolarHBondContact O-CG 3.37Å; L251-M255 PolarHBondContact O-N 3.3Å; L251-L264 HydrophobicContact CD1-CD2 4.06Å; L251-L267 HydrophobicContact CB-CB 4.28Å; L251-L267 HydrophobicContact CD1-CB 3.81Å; L251-A268 HydrophobicContact CD1-CB 4.32Å; L251-A268 HydrophobicContact CD2-CB 4.23Å; L251-L271 HydrophobicContact CD2-CB 4.37Å; L251-L271 HydrophobicContact CD2-CD2 3.51Å
252	Q	90.6	Very high	88.8	Confident	62 Å²	62	60.5 Å²	60.5	29%	0.29	38%	0.38	S	S	.	.	H	α-helix	trans	-60.3	-49.2	175.7	-73.8	179	-39.8	0	0	111.4	L211 L248 Q249 A254 M255 E256	L211-Q252 HydrophobicContact CD1-CG 3.7Å; L211-Q252 HydrophobicContact CD2-CG 3.91Å; L211-Q252 HydrophobicContact CG-CG 4.45Å; L248-Q252 WeakPolarHBondContact O-CG 3.32Å; L248-Q252 PolarHBondContact O-N 3.4Å; Q249-Q252 PolarHBondContact O-N 3.25Å; Q252-A254 VanDerWaalsContact C-N 3.33Å; Q252-A254 PolarHBondContact O-N 3.24Å; Q252-M255 PolarHBondContact O-N 3.04Å; Q252-E256 WeakPolarHBondContact O-CG 3.38Å; Q252-E256 PolarHBondContact O-N 3.02Å
253	G	88.8	Confident	88.5	Confident	28 Å²	28	61.2 Å²	61.2	29%	0.289	38%	0.378	S	S	.	.	H	α-helix	trans	-62.8	-37.1	178.5	0	0	0	0	0	113.4	Q249 S257	Q249-G253 PolarHBondContact O-N 2.87Å; G253-S257 WeakPolarHBondContact O-CB 3.25Å; G253-S257 PolarHBondContact O-N 2.87Å; G253-S257 PolarHBondContact O-OG 3.42Å
254	A	87.8	Confident	88.3	Confident	14 Å²	14	60.8 Å²	60.8	12%	0.116	37%	0.371	C	S	.	.	H	α-helix	trans	-68.5	-37.1	175.6	0	0	0	0	0	112.4	P250 L251 Q252 S257 N258 A259 L264 L267	P250-A254 VanDerWaalsContact O-CB 3.3Å; P250-A254 WeakPolarHBondContact O-CB 3.42Å; P250-A254 PolarHBondContact O-N 3.19Å; L251-A254 PolarHBondContact O-N 3.3Å; Q252-A254 VanDerWaalsContact C-N 3.33Å; Q252-A254 PolarHBondContact O-N 3.24Å; A254-S257 PolarHBondContact O-N 2.91Å; A254-N258 PolarHBondContact O-N 3.26Å; A254-A259 HydrophobicContact CB-CB 4.14Å; A254-A259 VanDerWaalsContact O-CB 3.23Å; A254-A259 WeakPolarHBondContact O-CB 3.27Å; A254-A259 PolarHBondContact O-N 3.12Å; A254-L264 HydrophobicContact CB-CD2 3.64Å; A254-L267 HydrophobicContact CB-CD1 3.78Å
255	M	87.1	Confident	88	Confident	59 Å²	59	64.6 Å²	64.6	29%	0.291	39%	0.389	S	S	.	.	H	α-helix	trans	-68.9	-42.6	175	-74.5	-174.7	63	0	0	112.2	A208 L211 L251 Q252 S257 N258 L264	A208-M255 HydrophobicContact CB-CE 3.52Å; L211-M255 HydrophobicContact CB-SD 4.28Å; L211-M255 HydrophobicContact CD2-CE 4.18Å; L211-M255 HydrophobicContact CD2-SD 3.45Å; L211-M255 WeakPolarHBondContact CD2-SD 3.27Å; L211-M255 HydrophobicContact CG-SD 4.49Å; L251-M255 HydrophobicContact CG-SD 4.37Å; L251-M255 WeakPolarHBondContact O-CB 3.4Å; L251-M255 WeakPolarHBondContact O-CG 3.37Å; L251-M255 PolarHBondContact O-N 3.3Å; Q252-M255 PolarHBondContact O-N 3.04Å; M255-S257 PolarHBondContact O-N 3Å; M255-N258 PolarHBondContact O-N 2.96Å; M255-N258 VanDerWaalsContact O-N 3.1Å; M255-L264 HydrophobicContact CG-CD2 3.68Å
256	E	89	Confident	87.9	Confident	166 Å²	166	66.6 Å²	66.6	78%	0.776	40%	0.399	S	S	*	.	H	α-helix	trans	-62.7	-32.3	175.4	-72.7	172.1	-173.2	0	0	112.1	Q252 N258	Q252-E256 WeakPolarHBondContact O-CG 3.38Å; Q252-E256 PolarHBondContact O-N 3.02Å; E256-N258 VanDerWaalsContact C-N 3.26Å; E256-N258 PolarHBondContact O-N 3.03Å
257	S	87.1	Confident	87.7	Confident	97 Å²	97	66 Å²	66	68%	0.678	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	4.1	176.9	-54.8	0	0	0	0	113.8	G253 A254 M255 A259	G253-S257 WeakPolarHBondContact O-CB 3.25Å; G253-S257 PolarHBondContact O-N 2.87Å; G253-S257 PolarHBondContact O-OG 3.42Å; A254-S257 PolarHBondContact O-N 2.91Å; M255-S257 PolarHBondContact O-N 3Å; S257-A259 PolarHBondContact O-N 3.45Å
258	N	84.8	Confident	87.6	Confident	155 Å²	155	65.5 Å²	65.5	83%	0.829	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	38.8	-178.3	-121.5	11.3	0	0	0	113.1	A254 M255 E256	A254-N258 PolarHBondContact O-N 3.26Å; M255-N258 PolarHBondContact O-N 2.96Å; M255-N258 VanDerWaalsContact O-N 3.1Å; E256-N258 VanDerWaalsContact C-N 3.26Å; E256-N258 PolarHBondContact O-N 3.03Å
259	A	84.2	Confident	87.5	Confident	32 Å²	32	70.9 Å²	70.9	26%	0.264	41%	0.408	S	S	.	.			trans	-62.3	152.4	-179.8	0	0	0	0	0	112	A254 S257 V263 L264	A254-A259 HydrophobicContact CB-CB 4.14Å; A254-A259 VanDerWaalsContact O-CB 3.23Å; A254-A259 WeakPolarHBondContact O-CB 3.27Å; A254-A259 PolarHBondContact O-N 3.12Å; S257-A259 PolarHBondContact O-N 3.45Å; A259-V263 HydrophobicContact CB-CB 4.34Å; A259-V263 HydrophobicContact CB-CG1 4.38Å; A259-L264 HydrophobicContact CB-CD2 4.42Å; A259-L264 HydrophobicContact CB-CG 4.45Å; A259-L264 WeakPolarHBondContact O-CD1 3.49Å
260	A	84.8	Confident	87.6	Confident	60 Å²	60	67.9 Å²	67.9	50%	0.496	40%	0.399	S	S	.	.			trans	-68.3	158	179	0	0	0	0	0	112.3	D262 V263 L264	A260-D262 WeakPolarHBondContact CB-OD1 3.33Å; A260-D262 PolarHBondContact O-N 3Å; A260-V263 PolarHBondContact O-N 3.41Å; A260-L264 PolarHBondContact O-N 3.43Å; A260-L264 VanDerWaalsContact O-N 3.17Å
261	A	79.6	Confident	87.6	Confident	76 Å²	76	64.8 Å²	64.8	63%	0.628	38%	0.38	S	S	*	.	H	α-helix	trans	-62.2	-27.3	-173	0	0	0	0	0	113.7	V263 L264 Q265	A261-V263 VanDerWaalsContact C-N 3.27Å; A261-V263 PolarHBondContact O-N 3.26Å; A261-L264 PolarHBondContact O-N 2.93Å; A261-Q265 VanDerWaalsContact O-CB 3.29Å; A261-Q265 WeakPolarHBondContact O-CB 3.49Å; A261-Q265 PolarHBondContact O-N 3.21Å
262	D	84.4	Confident	87.7	Confident	118 Å²	118	65.6 Å²	65.6	63%	0.631	38%	0.384	S	S	*	.	H	α-helix	trans	-65.6	-26.7	174.7	62	-30.7	0	0	0	113.2	A260 P266	A260-D262 WeakPolarHBondContact CB-OD1 3.33Å; A260-D262 PolarHBondContact O-N 3Å; D262-P266 WeakPolarHBondContact O-CD 3.29Å; D262-P266 WeakPolarHBondContact O-CG 3.46Å
263	V	85.8	Confident	87.8	Confident	72 Å²	72	66.7 Å²	66.7	44%	0.436	39%	0.389	S	S	.	.	H	α-helix	trans	-88.6	-37.8	173.8	-179	0	0	0	0	111.5	A259 A260 A261 L267	A259-V263 HydrophobicContact CB-CB 4.34Å; A259-V263 HydrophobicContact CB-CG1 4.38Å; A260-V263 PolarHBondContact O-N 3.41Å; A261-V263 VanDerWaalsContact C-N 3.27Å; A261-V263 PolarHBondContact O-N 3.26Å; V263-L267 HydrophobicContact CG1-CD1 4.32Å; V263-L267 WeakPolarHBondContact O-CG 3.43Å
264	L	86.4	Confident	87.9	Confident	30 Å²	30	68.8 Å²	68.8	16%	0.157	39%	0.394	C	S	.	.	H	α-helix	trans	-70.9	-37	-177.7	-68.2	176.1	0	0	0	112.8	A207 L251 A254 M255 A259 A260 A261 L267 A268	A207-L264 HydrophobicContact CB-CB 4.09Å; L251-L264 HydrophobicContact CD1-CD2 4.06Å; A254-L264 HydrophobicContact CB-CD2 3.64Å; M255-L264 HydrophobicContact CG-CD2 3.68Å; A259-L264 HydrophobicContact CB-CD2 4.42Å; A259-L264 HydrophobicContact CB-CG 4.45Å; A259-L264 WeakPolarHBondContact O-CD1 3.49Å; A260-L264 PolarHBondContact O-N 3.43Å; A260-L264 VanDerWaalsContact O-N 3.17Å; A261-L264 PolarHBondContact O-N 2.93Å; L264-L267 PolarHBondContact O-N 3.44Å; L264-A268 WeakPolarHBondContact O-CB 3.45Å; L264-A268 PolarHBondContact O-N 3.45Å
265	Q	85.8	Confident	88.1	Confident	83 Å²	83	68.1 Å²	68.1	39%	0.388	39%	0.388	S	S	.	.	H	α-helix	trans	-64.7	-48.1	-173.8	-170.8	67.2	25.4	0	0	113.2	A261 L267 A268 E269	A261-Q265 VanDerWaalsContact O-CB 3.29Å; A261-Q265 WeakPolarHBondContact O-CB 3.49Å; A261-Q265 PolarHBondContact O-N 3.21Å; Q265-L267 VanDerWaalsContact C-N 3.32Å; Q265-L267 PolarHBondContact O-N 2.95Å; Q265-A268 PolarHBondContact O-N 2.95Å; Q265-E269 PolarHBondContact O-N 3.35Å
266	P	90.5	Very high	88.4	Confident	68 Å²	68	69.1 Å²	69.1	44%	0.442	39%	0.391	S	S	.	.	H	α-helix	trans	-63.4	-36.8	176.2	-22.4	34.6	0	0	0	112.9	D262 A268 E269 V270	D262-P266 WeakPolarHBondContact O-CD 3.29Å; D262-P266 WeakPolarHBondContact O-CG 3.46Å; P266-A268 VanDerWaalsContact C-N 3.35Å; P266-E269 PolarHBondContact O-N 3.37Å; P266-V270 WeakPolarHBondContact O-CG2 3.24Å; P266-V270 PolarHBondContact O-N 2.89Å
267	L	90.2	Very high	88.3	Confident	48 Å²	48	63.3 Å²	63.3	25%	0.251	37%	0.365	S	S	.	.	H	α-helix	trans	-66.3	-38.4	176.5	-67.2	177.3	0	0	0	111.6	P250 L251 A254 V263 L264 Q265 V270 L271	P250-L267 HydrophobicContact CB-CD1 4.43Å; P250-L267 HydrophobicContact CB-CD2 3.95Å; L251-L267 HydrophobicContact CB-CB 4.28Å; L251-L267 HydrophobicContact CD1-CB 3.81Å; A254-L267 HydrophobicContact CB-CD1 3.78Å; V263-L267 HydrophobicContact CG1-CD1 4.32Å; V263-L267 WeakPolarHBondContact O-CG 3.43Å; L264-L267 PolarHBondContact O-N 3.44Å; Q265-L267 VanDerWaalsContact C-N 3.32Å; Q265-L267 PolarHBondContact O-N 2.95Å; L267-V270 PolarHBondContact O-N 2.93Å; L267-L271 PolarHBondContact O-N 2.82Å
268	A	89	Confident	88.5	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-66.5	-36.9	175	0	0	0	0	0	112.3	A207 I210 L251 L264 Q265 P266 L271 L272	A207-A268 HydrophobicContact CB-CB 3.79Å; I210-A268 HydrophobicContact CD1-CB 3.98Å; L251-A268 HydrophobicContact CD1-CB 4.32Å; L251-A268 HydrophobicContact CD2-CB 4.23Å; L264-A268 WeakPolarHBondContact O-CB 3.45Å; L264-A268 PolarHBondContact O-N 3.45Å; Q265-A268 PolarHBondContact O-N 2.95Å; P266-A268 VanDerWaalsContact C-N 3.35Å; A268-L271 PolarHBondContact O-N 2.79Å; A268-L272 WeakPolarHBondContact O-CB 3.46Å; A268-L272 PolarHBondContact O-N 2.88Å
269	E	89.9	Confident	88.9	Confident	114 Å²	114	51.8 Å²	51.8	53%	0.533	30%	0.296	S	S	.	.	H	α-helix	trans	-65.7	-42.2	173.8	-73.5	173.8	-168	0	0	112.2	Q265 P266 L271 L272 E273	Q265-E269 PolarHBondContact O-N 3.35Å; P266-E269 PolarHBondContact O-N 3.37Å; E269-L271 VanDerWaalsContact C-N 3.33Å; E269-L271 PolarHBondContact O-N 3.15Å; E269-L272 PolarHBondContact O-N 3.17Å; E269-E273 PolarHBondContact O-N 2.86Å
270	V	92.2	Very high	89.3	Confident	79 Å²	79	50.4 Å²	50.4	48%	0.479	28%	0.284	S	S	.	.	H	α-helix	trans	-61	-43.5	173.6	171.6	0	0	0	0	110.9	A247 P266 L267 E273 N274	A247-V270 HydrophobicContact CB-CG1 4.47Å; P266-V270 WeakPolarHBondContact O-CG2 3.24Å; P266-V270 PolarHBondContact O-N 2.89Å; L267-V270 PolarHBondContact O-N 2.93Å; V270-E273 PolarHBondContact O-N 3.18Å; V270-N274 PolarHBondContact O-N 3.33Å; V270-N274 VanDerWaalsContact O-N 3.11Å; V270-N274 PolarHBondContact O-ND2 2.9Å
271	L	92.8	Very high	89.7	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.9	-45.5	175.3	179.2	61.7	0	0	0	111.3	I210 L211 V214 A247 L248 L251 L267 A268 E269 E273 N274 S275	I210-L271 HydrophobicContact CG2-CD2 4.32Å; L211-L271 HydrophobicContact CD1-CD2 4.2Å; V214-L271 HydrophobicContact CB-CD2 4.38Å; V214-L271 HydrophobicContact CG1-CD1 4.07Å; V214-L271 HydrophobicContact CG1-CG 4.43Å; V214-L271 HydrophobicContact CG2-CD2 4.34Å; V214-L271 HydrophobicContact CG2-CG 4.25Å; A247-L271 HydrophobicContact CB-CD1 3.96Å; L248-L271 HydrophobicContact CB-CD1 4.5Å; L248-L271 HydrophobicContact CD2-CD1 3.71Å; L248-L271 HydrophobicContact CD2-CD2 3.77Å; L248-L271 HydrophobicContact CD2-CG 4.41Å; L248-L271 HydrophobicContact CG-CD1 3.73Å; L251-L271 HydrophobicContact CD2-CB 4.37Å; L251-L271 HydrophobicContact CD2-CD2 3.51Å; L267-L271 PolarHBondContact O-N 2.82Å; A268-L271 PolarHBondContact O-N 2.79Å; E269-L271 VanDerWaalsContact C-N 3.33Å; E269-L271 PolarHBondContact O-N 3.15Å; L271-E273 VanDerWaalsContact C-N 3.32Å; L271-E273 PolarHBondContact O-N 3.38Å; L271-N274 PolarHBondContact O-N 2.98Å; L271-S275 VanDerWaalsContact O-CB 3.23Å; L271-S275 WeakPolarHBondContact O-CB 3.2Å; L271-S275 PolarHBondContact O-N 2.6Å; L271-S275 PolarHBondContact O-OG 2.92Å
272	L	91.2	Very high	90.4	Very high	17 Å²	17	47.5 Å²	47.5	9%	0.089	25%	0.246	C	C	.	.	H	α-helix	trans	-60.7	-40.7	-179.8	-170.5	70.5	0	0	0	112	Y200 R201 I210 A268 E269 S275 K276 L279	Y200-L272 HydrophobicContact CD1-CD1 4.16Å; Y200-L272 HydrophobicContact CE1-CD1 3.91Å; R201-L272 HydrophobicContact CG-CD2 3.78Å; I210-L272 HydrophobicContact CG2-CB 4.49Å; I210-L272 HydrophobicContact CG2-CD1 4.3Å; A268-L272 WeakPolarHBondContact O-CB 3.46Å; A268-L272 PolarHBondContact O-N 2.88Å; E269-L272 PolarHBondContact O-N 3.17Å; L272-S275 PolarHBondContact O-OG 2.82Å; L272-K276 PolarHBondContact O-N 2.88Å; L272-K276 VanDerWaalsContact O-N 3.1Å; L272-L279 HydrophobicContact CD1-CD2 3.45Å; L272-L279 VanDerWaalsContact CD1-CD2 3.45Å
273	E	91.6	Very high	90.8	Very high	84 Å²	84	42.1 Å²	42.1	39%	0.393	22%	0.218	S	C	.	.	H	α-helix	trans	-71.4	-41.8	179.4	-171.8	54.9	-148	0	0	112.2	R201 E269 V270 L271 S275 K276	R201-E273 IonicContact CZ-OE2 3.74Å; R201-E273 IonicContact NH2-OE2 3.62Å; R201-E273 PolarHBondContact NH2-OE2 2.66Å; E269-E273 PolarHBondContact O-N 2.86Å; V270-E273 PolarHBondContact O-N 3.18Å; L271-E273 VanDerWaalsContact C-N 3.32Å; L271-E273 PolarHBondContact O-N 3.38Å; E273-S275 VanDerWaalsContact C-N 3.31Å; E273-S275 PolarHBondContact O-N 3.26Å; E273-K276 WeakPolarHBondContact O-CG 3.2Å; E273-K276 PolarHBondContact O-N 2.73Å; E273-K276 WeakPolarHBondContact OE1-CD 3.29Å; E273-K276 IonicContact OE1-NZ 2.85Å; E273-K276 PolarHBondContact OE1-NZ 3.33Å
274	N	92.1	Very high	91.1	Very high	73 Å²	73	39.5 Å²	39.5	39%	0.39	20%	0.201	S	C	.	.	H	α-helix	trans	-71.3	-25.7	177.5	-76.4	-82.7	0	0	0	112.9	V244 A247 V270 L271	V244-N274 WeakPolarHBondContact CG2-O 3.33Å; A247-N274 HydrophobicContact CB-CB 3.97Å; V270-N274 PolarHBondContact O-N 3.33Å; V270-N274 VanDerWaalsContact O-N 3.11Å; V270-N274 PolarHBondContact O-ND2 2.9Å; L271-N274 PolarHBondContact O-N 2.98Å
275	S	92.4	Very high	91.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-96.7	1.1	179.1	63.7	0	0	0	0	114.4	V214 L271 L272 E273 D277 L278 L279	V214-S275 VanDerWaalsContact CG2-OG 3.26Å; V214-S275 WeakPolarHBondContact CG2-OG 3.28Å; L271-S275 VanDerWaalsContact O-CB 3.23Å; L271-S275 WeakPolarHBondContact O-CB 3.2Å; L271-S275 PolarHBondContact O-N 2.6Å; L271-S275 PolarHBondContact O-OG 2.92Å; L272-S275 PolarHBondContact O-OG 2.82Å; E273-S275 VanDerWaalsContact C-N 3.31Å; E273-S275 PolarHBondContact O-N 3.26Å; S275-D277 VanDerWaalsContact C-N 3.29Å; S275-D277 PolarHBondContact O-N 3.32Å; S275-D277 VanDerWaalsContact O-N 3.11Å; S275-L278 VanDerWaalsContact O-CG 3.32Å; S275-L278 WeakPolarHBondContact O-CG 3.2Å; S275-L278 PolarHBondContact O-N 3.47Å; S275-L278 VanDerWaalsContact O-N 3.07Å; S275-L279 WeakPolarHBondContact O-CB 3.4Å; S275-L279 PolarHBondContact O-N 3.08Å
276	K	92	Very high	91.6	Very high	79 Å²	79	45.5 Å²	45.5	34%	0.343	22%	0.222	S	C	.	.	H	α-helix	trans	-52.1	-41.8	-173.1	72.3	-174.7	175.2	-169.5	0	114.7	L197 L272 E273 S280	L197-K276 HydrophobicContact CD2-CB 3.92Å; L272-K276 PolarHBondContact O-N 2.88Å; L272-K276 VanDerWaalsContact O-N 3.1Å; E273-K276 WeakPolarHBondContact O-CG 3.2Å; E273-K276 PolarHBondContact O-N 2.73Å; E273-K276 WeakPolarHBondContact OE1-CD 3.29Å; E273-K276 IonicContact OE1-NZ 2.85Å; E273-K276 PolarHBondContact OE1-NZ 3.33Å; K276-S280 WeakPolarHBondContact O-CB 3.09Å; K276-S280 PolarHBondContact O-N 3.29Å; K276-S280 PolarHBondContact O-OG 3.08Å
277	D	88.3	Confident	91.8	Very high	45 Å²	45	46.3 Å²	46.3	24%	0.241	22%	0.219	C	C	.	.	H	α-helix	trans	-68.7	-39.3	-176.9	-80.4	-17.3	0	0	0	111	R190 S275 S280 D281 K492	R190-D277 IonicContact NH1-OD1 2.65Å; S275-D277 VanDerWaalsContact C-N 3.29Å; S275-D277 PolarHBondContact O-N 3.32Å; S275-D277 VanDerWaalsContact O-N 3.11Å; D277-S280 PolarHBondContact O-OG 3.37Å; D277-D281 PolarHBondContact O-N 3.46Å; D277-K492 IonicContact OD2-NZ 3.14Å; D277-K492 PolarHBondContact OD2-NZ 3.11Å
278	L	90.9	Very high	91.8	Very high	10 Å²	10	44.1 Å²	44.1	5%	0.052	21%	0.209	C	C	.	.	H	α-helix	trans	-78.2	-40.2	180	85.3	97.4	0	0	0	111.4	V214 A217 R218 F221 V244 S275 D281 W282	V214-L278 HydrophobicContact CG1-CD1 4.5Å; A217-L278 HydrophobicContact CB-CD1 3.29Å; R218-L278 HydrophobicContact CB-CD1 4.35Å; F221-L278 HydrophobicContact CD2-CB 4.14Å; F221-L278 HydrophobicContact CG-CB 4.36Å; V244-L278 HydrophobicContact CB-CD2 4.08Å; V244-L278 HydrophobicContact CG1-CD2 3.64Å; V244-L278 HydrophobicContact CG2-CD2 3.35Å; S275-L278 VanDerWaalsContact O-CG 3.32Å; S275-L278 WeakPolarHBondContact O-CG 3.2Å; S275-L278 PolarHBondContact O-N 3.47Å; S275-L278 VanDerWaalsContact O-N 3.07Å; L278-D281 PolarHBondContact O-N 3.48Å; L278-W282 PolarHBondContact O-N 3.42Å
279	L	92.9	Very high	91.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-68.8	-42.1	-178.6	-178.8	63.1	0	0	0	110.5	L197 Y200 D213 A217 L272 S275 W282 L283	L197-L279 HydrophobicContact CD1-CD2 3.99Å; L197-L279 HydrophobicContact CD1-CG 4.4Å; Y200-L279 HydrophobicContact CD1-CD2 4.18Å; Y200-L279 HydrophobicContact CE1-CD2 3.96Å; D213-L279 HydrophobicContact CB-CD1 4.12Å; A217-L279 HydrophobicContact CB-CD1 4.41Å; L272-L279 HydrophobicContact CD1-CD2 3.45Å; L272-L279 VanDerWaalsContact CD1-CD2 3.45Å; S275-L279 WeakPolarHBondContact O-CB 3.4Å; S275-L279 PolarHBondContact O-N 3.08Å; L279-W282 HydrophobicContact CD1-CE3 4.13Å; L279-W282 PolarHBondContact O-N 3.41Å; L279-L283 HydrophobicContact CD1-CG 4.39Å; L279-L283 HydrophobicContact CG-CD1 4.07Å; L279-L283 HydrophobicContact CG-CG 4.4Å; L279-L283 WeakPolarHBondContact O-CB 3.29Å; L279-L283 VanDerWaalsContact O-CG 3.3Å; L279-L283 WeakPolarHBondContact O-CG 3.35Å; L279-L283 PolarHBondContact O-N 2.9Å
280	S	93.4	Very high	92	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-64.4	-39.3	176.3	60.3	0	0	0	0	112.7	K276 D277 W282 D284	K276-S280 WeakPolarHBondContact O-CB 3.09Å; K276-S280 PolarHBondContact O-N 3.29Å; K276-S280 PolarHBondContact O-OG 3.08Å; D277-S280 PolarHBondContact O-OG 3.37Å; S280-W282 VanDerWaalsContact C-N 3.34Å; S280-D284 VanDerWaalsContact O-CB 3.24Å; S280-D284 WeakPolarHBondContact O-CB 3.21Å; S280-D284 PolarHBondContact O-N 3.24Å
281	D	91.8	Very high	92	Very high	28 Å²	28	45.1 Å²	45.1	15%	0.15	22%	0.216	C	C	.	.	H	α-helix	trans	-65.2	-37.2	173.5	-164.4	80.1	0	0	0	112.1	K189 Q193 D277 L278 D284 R285	K189-D281 WeakPolarHBondContact CE-OD1 3.16Å; K189-D281 IonicContact NZ-OD1 2.95Å; K189-D281 PolarHBondContact NZ-OD1 3.49Å; Q193-D281 PolarHBondContact NE2-OD1 3.28Å; D277-D281 PolarHBondContact O-N 3.46Å; L278-D281 PolarHBondContact O-N 3.48Å; D281-D284 WeakPolarHBondContact O-CB 3.22Å; D281-D284 PolarHBondContact O-N 3.43Å; D281-R285 WeakPolarHBondContact O-CG 2.98Å; D281-R285 PolarHBondContact O-N 3.36Å; D281-R285 VanDerWaalsContact O-N 3.15Å; D281-R285 IonicContact OD2-CZ 3.65Å; D281-R285 VanDerWaalsContact OD2-CZ 3.31Å; D281-R285 IonicContact OD2-NE 3.57Å; D281-R285 PolarHBondContact OD2-NE 3.08Å; D281-R285 IonicContact OD2-NH2 2.74Å; D281-R285 PolarHBondContact OD2-NH2 2.96Å
282	W	94.2	Very high	91.7	Very high	46 Å²	46	49.2 Å²	49.2	17%	0.174	24%	0.241	C	C	.	.	H	α-helix	trans	-67.9	-46.9	175.3	178.7	85.2	0	0	0	112.6	D213 N216 A217 L278 L279 S280 D284 R285 Q286	D213-W282 HydrophobicContact CB-CZ3 4.43Å; N216-W282 HydrophobicContact CB-CZ2 4.45Å; A217-W282 HydrophobicContact CB-CB 3.34Å; A217-W282 HydrophobicContact CB-CD2 4.06Å; A217-W282 HydrophobicContact CB-CG 3.5Å; A217-W282 VanDerWaalsContact CB-CG 3.5Å; L278-W282 PolarHBondContact O-N 3.42Å; L279-W282 HydrophobicContact CD1-CE3 4.13Å; L279-W282 PolarHBondContact O-N 3.41Å; S280-W282 VanDerWaalsContact C-N 3.34Å; W282-D284 VanDerWaalsContact C-N 3.25Å; W282-D284 PolarHBondContact O-N 3.1Å; W282-R285 PolarHBondContact O-N 3.2Å; W282-R285 VanDerWaalsContact O-N 3.15Å; W282-Q286 HydrophobicContact CD2-CG 4.31Å; W282-Q286 HydrophobicContact CH2-CG 4.38Å; W282-Q286 HydrophobicContact CZ2-CG 4.04Å; W282-Q286 WeakPolarHBondContact O-CG 3.24Å; W282-Q286 PolarHBondContact O-N 3.01Å
283	L	93.6	Very high	91.6	Very high	6 Å²	6	54.1 Å²	54.1	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-58	-40.6	174.4	-72.2	171.1	0	0	0	111.1	L196 L197 Y200 L279 R285 Q286 F287	L196-L283 HydrophobicContact CB-CB 4.19Å; L197-L283 HydrophobicContact CD1-CD1 4.36Å; Y200-L283 HydrophobicContact CD2-CD1 4.25Å; Y200-L283 HydrophobicContact CD2-CD2 4.03Å; Y200-L283 HydrophobicContact CG-CD1 4.09Å; L279-L283 HydrophobicContact CD1-CG 4.39Å; L279-L283 HydrophobicContact CG-CD1 4.07Å; L279-L283 HydrophobicContact CG-CG 4.4Å; L279-L283 WeakPolarHBondContact O-CB 3.29Å; L279-L283 VanDerWaalsContact O-CG 3.3Å; L279-L283 WeakPolarHBondContact O-CG 3.35Å; L279-L283 PolarHBondContact O-N 2.9Å; L283-R285 VanDerWaalsContact C-N 3.33Å; L283-R285 PolarHBondContact O-N 2.9Å; L283-Q286 PolarHBondContact O-N 3.34Å; L283-F287 HydrophobicContact CD2-CD2 4.08Å; L283-F287 HydrophobicContact CD2-CE2 4.02Å; L283-F287 PolarHBondContact O-N 2.86Å
284	D	92.8	Very high	91.5	Very high	16 Å²	16	52.9 Å²	52.9	9%	0.086	26%	0.26	C	S	.	.	H	α-helix	trans	-60.2	-40.3	176.8	-163.4	63.5	0	0	0	112.7	R192 Q193 L196 S280 D281 W282 Q286 G288	R192-D284 WeakPolarHBondContact CG-OD1 3.45Å; R192-D284 IonicContact CZ-OD1 2.61Å; R192-D284 IonicContact CZ-OD2 3.33Å; R192-D284 IonicContact NE-OD1 3.14Å; R192-D284 PolarHBondContact NE-OD1 3.41Å; R192-D284 IonicContact NE-OD2 2.74Å; R192-D284 IonicContact NH2-OD1 3.71Å; R192-D284 PolarHBondContact NH2-OD1 3.5Å; R192-D284 IonicContact NH2-OD2 3.19Å; R192-D284 PolarHBondContact NH2-OD2 3.18Å; Q193-D284 HydrophobicContact CG-CB 3.99Å; L196-D284 HydrophobicContact CD1-CB 4.5Å; S280-D284 VanDerWaalsContact O-CB 3.24Å; S280-D284 WeakPolarHBondContact O-CB 3.21Å; S280-D284 PolarHBondContact O-N 3.24Å; D281-D284 WeakPolarHBondContact O-CB 3.22Å; D281-D284 PolarHBondContact O-N 3.43Å; W282-D284 VanDerWaalsContact C-N 3.25Å; W282-D284 PolarHBondContact O-N 3.1Å; D284-Q286 VanDerWaalsContact C-N 3.33Å; D284-Q286 PolarHBondContact O-N 3.24Å; D284-G288 WeakPolarHBondContact O-CA 3.34Å; D284-G288 PolarHBondContact O-N 3.38Å
285	R	91.3	Very high	91.5	Very high	134 Å²	134	52.8 Å²	52.8	51%	0.506	27%	0.265	S	S	.	.	H	α-helix	trans	-67.8	-32.6	176.2	-69.2	175.2	-162.9	-159.9	4.3	112.9	D281 W282 L283	D281-R285 WeakPolarHBondContact O-CG 2.98Å; D281-R285 PolarHBondContact O-N 3.36Å; D281-R285 VanDerWaalsContact O-N 3.15Å; D281-R285 IonicContact OD2-CZ 3.65Å; D281-R285 VanDerWaalsContact OD2-CZ 3.31Å; D281-R285 IonicContact OD2-NE 3.57Å; D281-R285 PolarHBondContact OD2-NE 3.08Å; D281-R285 IonicContact OD2-NH2 2.74Å; D281-R285 PolarHBondContact OD2-NH2 2.96Å; W282-R285 PolarHBondContact O-N 3.2Å; W282-R285 VanDerWaalsContact O-N 3.15Å; L283-R285 VanDerWaalsContact C-N 3.33Å; L283-R285 PolarHBondContact O-N 2.9Å
286	Q	90.9	Very high	91.6	Very high	105 Å²	105	54 Å²	54	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-81.6	-50.3	-178.7	-64	-59.3	-62.9	0	0	111.8	W282 L283 D284	W282-Q286 HydrophobicContact CD2-CG 4.31Å; W282-Q286 HydrophobicContact CH2-CG 4.38Å; W282-Q286 HydrophobicContact CZ2-CG 4.04Å; W282-Q286 WeakPolarHBondContact O-CG 3.24Å; W282-Q286 PolarHBondContact O-N 3.01Å; L283-Q286 PolarHBondContact O-N 3.34Å; D284-Q286 VanDerWaalsContact C-N 3.33Å; D284-Q286 PolarHBondContact O-N 3.24Å
287	F	93.4	Very high	91.6	Very high	85 Å²	85	50.8 Å²	50.8	37%	0.373	26%	0.257	S	S	.	.	H	α-helix	trans	-117.1	-4.1	-166.4	-54.1	-67.8	0	0	0	113.5	L196 L283 S289 E290	L196-F287 HydrophobicContact CD1-CB 4.34Å; L196-F287 HydrophobicContact CD2-CB 3.83Å; L283-F287 HydrophobicContact CD2-CD2 4.08Å; L283-F287 HydrophobicContact CD2-CE2 4.02Å; L283-F287 PolarHBondContact O-N 2.86Å; F287-S289 PolarHBondContact O-N 2.7Å; F287-S289 VanDerWaalsContact O-N 3.16Å; F287-E290 WeakPolarHBondContact O-CB 3.48Å; F287-E290 PolarHBondContact O-N 3.05Å
288	G	90.3	Very high	91.9	Very high	3 Å²	3	51.6 Å²	51.6	3%	0.031	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-57.6	-34.3	-176.4	0	0	0	0	0	113.2	R192 D284 E290 V291 G409	R192-G288 WeakPolarHBondContact CD-O 2.97Å; D284-G288 WeakPolarHBondContact O-CA 3.34Å; D284-G288 PolarHBondContact O-N 3.38Å; G288-E290 PolarHBondContact O-N 2.82Å; G288-V291 PolarHBondContact O-N 2.95Å; G288-G409 WeakPolarHBondContact O-CA 3.03Å
289	S	91.8	Very high	92	Very high	70 Å²	70	55.9 Å²	55.9	49%	0.49	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-64.2	-20.8	179.1	68.7	0	0	0	0	114.5	F287 G409	F287-S289 PolarHBondContact O-N 2.7Å; F287-S289 VanDerWaalsContact O-N 3.16Å; S289-G409 PolarHBondContact O-N 2.94Å
290	E	92.1	Very high	92.1	Very high	138 Å²	138	56.7 Å²	56.7	65%	0.645	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-82.2	-17.9	-179.8	-58.3	176.5	-164.2	0	0	112.3	F287 G288 T292	F287-E290 WeakPolarHBondContact O-CB 3.48Å; F287-E290 PolarHBondContact O-N 3.05Å; G288-E290 PolarHBondContact O-N 2.82Å; E290-T292 PolarHBondContact O-N 3.35Å
291	V	91.6	Very high	92.2	Very high	6 Å²	6	56.7 Å²	56.7	4%	0.036	30%	0.297	C	S	.	.			trans	-82.5	96.8	-176.6	-174.2	0	0	0	0	110.4	R192 F195 L196 G288 I296 F297 G409	R192-V291 HydrophobicContact CG-CB 3.88Å; R192-V291 HydrophobicContact CG-CG1 4.1Å; R192-V291 HydrophobicContact CG-CG2 3.86Å; F195-V291 HydrophobicContact CD1-CG1 4.1Å; F195-V291 HydrophobicContact CD1-CG2 4Å; F195-V291 HydrophobicContact CE1-CG1 4.3Å; F195-V291 HydrophobicContact CE1-CG2 4.13Å; L196-V291 HydrophobicContact CD1-CG2 4.46Å; L196-V291 HydrophobicContact CD2-CG2 3.9Å; L196-V291 HydrophobicContact CG-CG2 4.18Å; G288-V291 PolarHBondContact O-N 2.95Å; V291-I296 HydrophobicContact CG1-CD1 3.71Å; V291-I296 HydrophobicContact CG1-CG2 4.15Å; V291-F297 HydrophobicContact CG1-CE2 4.26Å; V291-F297 HydrophobicContact CG1-CZ 3.91Å; V291-G409 CarbonylContact O-C 3.6Å; V291-G409 WeakPolarHBondContact O-CA 3.2Å
292	T	86.4	Confident	92.4	Very high	85 Å²	85	62.9 Å²	62.9	52%	0.521	32%	0.322	S	S	.	.			trans	-116.3	-14.8	-171.3	51.6	0	0	0	0	114.7	E290 N294	E290-T292 PolarHBondContact O-N 3.35Å; T292-N294 PolarHBondContact O-N 2.99Å
293	E	89.4	Confident	92.6	Very high	121 Å²	121	65.9 Å²	65.9	57%	0.565	34%	0.337	S	S	*	.			trans	-74.4	118.4	-176.1	-68.8	-65.8	152.1	0	0	112	S295 I296 F297	E293-S295 PolarHBondContact O-N 2.94Å; E293-S295 VanDerWaalsContact O-N 3.15Å; E293-I296 HydrophobicContact CB-CD1 3.8Å; E293-I296 HydrophobicContact CB-CG1 4.05Å; E293-I296 WeakPolarHBondContact O-CB 3.12Å; E293-I296 PolarHBondContact O-N 2.84Å; E293-I296 VanDerWaalsContact O-N 3.14Å; E293-F297 WeakPolarHBondContact O-CD2 3.4Å
294	N	89.8	Confident	92.7	Very high	57 Å²	57	68 Å²	68	31%	0.305	34%	0.344	S	S	.	.	H	α-helix	trans	-57.8	-30.2	179.5	-77.8	-3.7	0	0	0	112.9	T292 I296 F297 S298 P411 S412	T292-N294 PolarHBondContact O-N 2.99Å; N294-I296 VanDerWaalsContact C-N 3.26Å; N294-I296 PolarHBondContact O-N 2.93Å; N294-F297 PolarHBondContact O-N 3.22Å; N294-F297 VanDerWaalsContact O-N 3.16Å; N294-S298 PolarHBondContact O-N 2.85Å; N294-P411 VanDerWaalsContact OD1-CA 3.24Å; N294-P411 WeakPolarHBondContact OD1-CA 3.22Å; N294-P411 WeakPolarHBondContact OD1-CB 3.3Å; N294-S412 PolarHBondContact ND2-O 3.43Å; N294-S412 PolarHBondContact OD1-N 3.31Å; N294-S412 VanDerWaalsContact OD1-N 3.13Å
295	S	92.6	Very high	93	Very high	72 Å²	72	68 Å²	68	50%	0.503	34%	0.344	S	S	.	.	H	α-helix	trans	-59.8	-34.7	179.2	59.4	0	0	0	0	112.6	E293 F297 S298	E293-S295 PolarHBondContact O-N 2.94Å; E293-S295 VanDerWaalsContact O-N 3.15Å; S295-F297 VanDerWaalsContact C-N 3.31Å; S295-F297 PolarHBondContact O-N 2.76Å; S295-S298 PolarHBondContact O-N 3.41Å; S295-S298 VanDerWaalsContact O-N 3.17Å; S295-S298 PolarHBondContact O-OG 3.49Å
296	I	93	Very high	93.3	Very high	26 Å²	26	62.9 Å²	62.9	13%	0.133	33%	0.333	C	S	.	.	H	α-helix	trans	-61.1	-42.5	177.7	-62.7	170.7	0	0	0	110.5	F195 V291 E293 N294 S298 V299	F195-I296 HydrophobicContact CB-CG2 3.7Å; F195-I296 HydrophobicContact CD1-CD1 4.13Å; F195-I296 HydrophobicContact CD1-CG2 4.23Å; F195-I296 HydrophobicContact CD2-CD1 4.14Å; F195-I296 HydrophobicContact CD2-CG1 4.19Å; F195-I296 HydrophobicContact CD2-CG2 3.83Å; F195-I296 HydrophobicContact CE1-CD1 3.71Å; F195-I296 HydrophobicContact CE2-CD1 3.72Å; F195-I296 HydrophobicContact CE2-CG1 4Å; F195-I296 HydrophobicContact CE2-CG2 4.47Å; F195-I296 HydrophobicContact CG-CD1 4.3Å; F195-I296 HydrophobicContact CG-CG2 3.66Å; F195-I296 HydrophobicContact CZ-CD1 3.45Å; F195-I296 VanDerWaalsContact CZ-CD1 3.45Å; F195-I296 HydrophobicContact CZ-CG1 4.25Å; V291-I296 HydrophobicContact CG1-CD1 3.71Å; V291-I296 HydrophobicContact CG1-CG2 4.15Å; E293-I296 HydrophobicContact CB-CD1 3.8Å; E293-I296 HydrophobicContact CB-CG1 4.05Å; E293-I296 WeakPolarHBondContact O-CB 3.12Å; E293-I296 PolarHBondContact O-N 2.84Å; E293-I296 VanDerWaalsContact O-N 3.14Å; N294-I296 VanDerWaalsContact C-N 3.26Å; N294-I296 PolarHBondContact O-N 2.93Å; I296-S298 PolarHBondContact O-N 3.13Å; I296-V299 PolarHBondContact O-N 3.05Å
297	F	93.4	Very high	93.6	Very high	10 Å²	10	59.2 Å²	59.2	4%	0.044	32%	0.316	C	S	.	.	H	α-helix	trans	-73.4	-13.3	-178.3	-58	-78.3	0	0	0	113.3	I188 A191 R192 V291 E293 N294 S295 P301 G409 P411	I188-F297 HydrophobicContact CB-CD1 4.41Å; I188-F297 HydrophobicContact CB-CE1 4.49Å; I188-F297 HydrophobicContact CG1-CD1 4.48Å; I188-F297 HydrophobicContact CG2-CD1 4.18Å; I188-F297 HydrophobicContact CG2-CE1 3.8Å; A191-F297 HydrophobicContact CB-CD1 4.04Å; R192-F297 HydrophobicContact CB-CE1 4.14Å; V291-F297 HydrophobicContact CG1-CE2 4.26Å; V291-F297 HydrophobicContact CG1-CZ 3.91Å; E293-F297 WeakPolarHBondContact O-CD2 3.4Å; N294-F297 PolarHBondContact O-N 3.22Å; N294-F297 VanDerWaalsContact O-N 3.16Å; S295-F297 VanDerWaalsContact C-N 3.31Å; S295-F297 PolarHBondContact O-N 2.76Å; F297-P301 WeakPolarHBondContact O-CD 3.43Å; F297-P301 WeakPolarHBondContact O-CG 3.31Å; F297-G409 WeakPolarHBondContact CZ-O 3.47Å; F297-P411 HydrophobicContact CB-CB 4.33Å; F297-P411 HydrophobicContact CB-CG 4.32Å; F297-P411 HydrophobicContact CD1-CG 4.38Å; F297-P411 HydrophobicContact CD2-CB 3.75Å; F297-P411 HydrophobicContact CD2-CG 4.15Å; F297-P411 HydrophobicContact CE2-CB 4.26Å; F297-P411 HydrophobicContact CG-CB 4.05Å; F297-P411 HydrophobicContact CG-CG 4.02Å
298	S	93.5	Very high	93.8	Very high	63 Å²	63	55.3 Å²	55.3	44%	0.441	30%	0.299	S	S	.	.	H	α-helix	trans	-86.9	-21	178.2	75.8	0	0	0	0	114.2	N294 S295 I296 P301 K302	N294-S298 PolarHBondContact O-N 2.85Å; S295-S298 PolarHBondContact O-N 3.41Å; S295-S298 VanDerWaalsContact O-N 3.17Å; S295-S298 PolarHBondContact O-OG 3.49Å; I296-S298 PolarHBondContact O-N 3.13Å; S298-P301 WeakPolarHBondContact O-CD 3.29Å; S298-P301 WeakPolarHBondContact O-CG 3.4Å; S298-K302 VanDerWaalsContact O-CB 3.23Å; S298-K302 WeakPolarHBondContact O-CB 3.44Å; S298-K302 PolarHBondContact O-N 2.98Å
299	V	94.4	Very high	94.1	Very high	100 Å²	100	58.1 Å²	58.1	61%	0.606	31%	0.311	S	S	*	.	H	α-helix	trans	-67	-51.8	-174.1	178.5	0	0	0	0	111.5	I296 F303	I296-V299 PolarHBondContact O-N 3.05Å; V299-F303 PolarHBondContact O-N 3.35Å; V299-F303 VanDerWaalsContact O-N 3.14Å
300	L	94.4	Very high	94.4	Very high	16 Å²	16	61 Å²	61	8%	0.084	31%	0.311	C	S	.	.	H	α-helix	trans	-59.3	-52.7	-179.7	-179	70.5	0	0	0	113	R190 A191 K302 F303 W304	R190-L300 HydrophobicContact CB-CD2 3.64Å; R190-L300 HydrophobicContact CG-CD2 3.55Å; A191-L300 HydrophobicContact CB-CB 4.06Å; A191-L300 HydrophobicContact CB-CD2 4.08Å; L300-K302 VanDerWaalsContact C-N 3.35Å; L300-K302 PolarHBondContact O-N 2.81Å; L300-F303 PolarHBondContact O-N 3.36Å; L300-W304 VanDerWaalsContact CD1-CD1 3.5Å; L300-W304 VanDerWaalsContact CD1-NE1 3.29Å; L300-W304 VanDerWaalsContact O-CD1 3.31Å; L300-W304 PolarHBondContact O-N 2.78Å; L300-W304 VanDerWaalsContact O-N 3.13Å
301	P	96.1	Very high	94.6	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.019	28%	0.283	C	S	.	.	H	α-helix	trans	-64.9	-37.5	-179.1	25.2	-34.5	0	0	0	113	V144 D182 I187 F297 S298 F303 W304 E305	V144-P301 HydrophobicContact CB-CB 4.4Å; V144-P301 HydrophobicContact CG2-CB 3.43Å; V144-P301 VanDerWaalsContact CG2-CB 3.43Å; V144-P301 VanDerWaalsContact O-CA 3.24Å; V144-P301 WeakPolarHBondContact O-CA 3.27Å; D182-P301 HydrophobicContact CB-CB 3.84Å; D182-P301 HydrophobicContact CB-CG 4.31Å; I187-P301 HydrophobicContact CD1-CB 4.42Å; I187-P301 HydrophobicContact CG2-CB 4.29Å; I187-P301 HydrophobicContact CG2-CG 4.05Å; F297-P301 WeakPolarHBondContact O-CD 3.43Å; F297-P301 WeakPolarHBondContact O-CG 3.31Å; S298-P301 WeakPolarHBondContact O-CD 3.29Å; S298-P301 WeakPolarHBondContact O-CG 3.4Å; P301-F303 VanDerWaalsContact C-N 3.31Å; P301-F303 PolarHBondContact O-N 3.42Å; P301-W304 PolarHBondContact O-N 3.42Å; P301-E305 VanDerWaalsContact O-CB 3.23Å; P301-E305 WeakPolarHBondContact O-CB 3.25Å; P301-E305 PolarHBondContact O-N 2.87Å
302	K	96.4	Very high	94.9	Very high	158 Å²	158	55.1 Å²	55.1	69%	0.687	28%	0.284	S	S	*	.	H	α-helix	trans	-61.4	-39.7	175.8	-172.6	174.4	-175.4	174.5	0	112.6	S298 L300 G306	S298-K302 VanDerWaalsContact O-CB 3.23Å; S298-K302 WeakPolarHBondContact O-CB 3.44Å; S298-K302 PolarHBondContact O-N 2.98Å; L300-K302 VanDerWaalsContact C-N 3.35Å; L300-K302 PolarHBondContact O-N 2.81Å; K302-G306 PolarHBondContact O-N 3.47Å
303	F	96.8	Very high	95.4	Very high	109 Å²	109	58.3 Å²	58.3	48%	0.478	29%	0.292	S	S	.	.	H	α-helix	trans	-62.8	-50.4	174.9	173.5	-94.8	0	0	0	111.5	V299 L300 P301 G306 E307	V299-F303 PolarHBondContact O-N 3.35Å; V299-F303 VanDerWaalsContact O-N 3.14Å; L300-F303 PolarHBondContact O-N 3.36Å; P301-F303 VanDerWaalsContact C-N 3.31Å; P301-F303 PolarHBondContact O-N 3.42Å; F303-G306 PolarHBondContact O-N 2.97Å; F303-E307 HydrophobicContact CD1-CG 4.37Å; F303-E307 HydrophobicContact CE1-CG 3.85Å; F303-E307 HydrophobicContact CE2-CG 4.46Å; F303-E307 HydrophobicContact CZ-CG 3.9Å; F303-E307 PolarHBondContact O-N 3.2Å
304	W	96.9	Very high	95.7	Very high	50 Å²	50	54.9 Å²	54.9	19%	0.189	29%	0.285	C	S	.	.	H	α-helix	trans	-72.5	-28.3	-177.4	-74	118.2	0	0	0	113.9	V144 Y145 A147 L300 P301 E307 F308	V144-W304 HydrophobicContact CB-CB 3.95Å; Y145-W304 PolarHBondContact O-NE1 3.22Å; A147-W304 VanDerWaalsContact CA-CZ3 3.4Å; A147-W304 HydrophobicContact CB-CE3 4.43Å; A147-W304 HydrophobicContact CB-CH2 3.97Å; A147-W304 HydrophobicContact CB-CZ3 3.62Å; A147-W304 VanDerWaalsContact N-CZ3 3.33Å; L300-W304 VanDerWaalsContact CD1-CD1 3.5Å; L300-W304 VanDerWaalsContact CD1-NE1 3.29Å; L300-W304 VanDerWaalsContact O-CD1 3.31Å; L300-W304 PolarHBondContact O-N 2.78Å; L300-W304 VanDerWaalsContact O-N 3.13Å; P301-W304 PolarHBondContact O-N 3.42Å; W304-E307 HydrophobicContact CE3-CB 3.96Å; W304-E307 HydrophobicContact CE3-CG 4.11Å; W304-E307 HydrophobicContact CZ3-CB 4.41Å; W304-E307 HydrophobicContact CZ3-CG 4.32Å; W304-E307 PolarHBondContact O-N 3.3Å; W304-F308 VanDerWaalsContact O-CB 3.31Å; W304-F308 WeakPolarHBondContact O-CB 3.49Å; W304-F308 PolarHBondContact O-N 3.48Å
305	E	97.4	Very high	96	Very high	18 Å²	18	52.2 Å²	52.2	8%	0.084	27%	0.271	C	S	.	.	H	α-helix	trans	-61.4	-46.4	168.9	-174.3	-167.9	156.2	0	0	110.5	V144 I180 P301 E307 F308 H309 R325	V144-E305 HydrophobicContact CB-CB 4.48Å; V144-E305 HydrophobicContact CG1-CB 4.05Å; I180-E305 HydrophobicContact CD1-CG 4.3Å; I180-E305 HydrophobicContact CG1-CG 4.18Å; I180-E305 HydrophobicContact CG2-CG 4.15Å; P301-E305 VanDerWaalsContact O-CB 3.23Å; P301-E305 WeakPolarHBondContact O-CB 3.25Å; P301-E305 PolarHBondContact O-N 2.87Å; E305-E307 PolarHBondContact O-N 3.49Å; E305-F308 WeakPolarHBondContact O-CB 3.22Å; E305-F308 PolarHBondContact O-N 2.89Å; E305-H309 PolarHBondContact O-CD2 2.68Å; E305-H309 VanDerWaalsContact O-CD2 3.24Å; E305-H309 PolarHBondContact O-N 3.17Å; E305-H309 IonicContact OE1-NE2 3.74Å; E305-R325 VanDerWaalsContact CD-NE 3.32Å; E305-R325 IonicContact OE1-CZ 2.82Å; E305-R325 IonicContact OE1-NE 3Å; E305-R325 PolarHBondContact OE1-NE 3.34Å; E305-R325 IonicContact OE1-NH2 2.85Å; E305-R325 PolarHBondContact OE1-NH2 3.49Å; E305-R325 IonicContact OE2-CZ 3.69Å; E305-R325 IonicContact OE2-NE 3.89Å; E305-R325 PolarHBondContact OE2-NE 3.23Å
306	G	97.7	Very high	96.2	Very high	26 Å²	26	50 Å²	50	27%	0.268	25%	0.253	S	S	.	.	H	α-helix	trans	-61	-42.1	175.2	0	0	0	0	0	112.8	K302 F303 R310	K302-G306 PolarHBondContact O-N 3.47Å; F303-G306 PolarHBondContact O-N 2.97Å; G306-R310 WeakPolarHBondContact O-CG 3.45Å; G306-R310 PolarHBondContact O-N 2.94Å; G306-R310 VanDerWaalsContact O-N 3.1Å
307	E	97.7	Very high	96.4	Very high	27 Å²	27	49.8 Å²	49.8	13%	0.126	25%	0.253	C	S	.	.	H	α-helix	trans	-64.4	-41.1	173.6	-73.2	-74.7	89.1	0	0	112.4	F303 W304 E305 R310 D311 K498	F303-E307 HydrophobicContact CD1-CG 4.37Å; F303-E307 HydrophobicContact CE1-CG 3.85Å; F303-E307 HydrophobicContact CE2-CG 4.46Å; F303-E307 HydrophobicContact CZ-CG 3.9Å; F303-E307 PolarHBondContact O-N 3.2Å; W304-E307 HydrophobicContact CE3-CB 3.96Å; W304-E307 HydrophobicContact CE3-CG 4.11Å; W304-E307 HydrophobicContact CZ3-CB 4.41Å; W304-E307 HydrophobicContact CZ3-CG 4.32Å; W304-E307 PolarHBondContact O-N 3.3Å; E305-E307 PolarHBondContact O-N 3.49Å; E307-R310 PolarHBondContact O-N 3.14Å; E307-R310 IonicContact OE1-CZ 3.7Å; E307-R310 IonicContact OE1-NE 3.88Å; E307-R310 PolarHBondContact OE1-NE 3.08Å; E307-R310 IonicContact OE1-NH2 2.89Å; E307-R310 PolarHBondContact OE1-NH2 3.44Å; E307-D311 PolarHBondContact O-N 3.27Å; E307-K498 IonicContact OE1-NZ 3.31Å; E307-K498 IonicContact OE2-NZ 3.02Å; E307-K498 PolarHBondContact OE2-NZ 3.4Å
308	F	97.4	Very high	96.6	Very high	3 Å²	3	51.3 Å²	51.3	1%	0.013	26%	0.261	C	S	.	.	H	α-helix	trans	-59.6	-47.5	175.8	165.6	-101	0	0	0	111.5	P142 S148 Y156 M178 I180 W304 E305 R310 D311 M312	P142-F308 HydrophobicContact CB-CD2 4.22Å; P142-F308 HydrophobicContact CB-CE2 4.25Å; P142-F308 HydrophobicContact CG-CD1 3.86Å; P142-F308 HydrophobicContact CG-CD2 3.81Å; P142-F308 HydrophobicContact CG-CE1 3.82Å; P142-F308 HydrophobicContact CG-CE2 3.78Å; P142-F308 HydrophobicContact CG-CG 3.85Å; P142-F308 HydrophobicContact CG-CZ 3.78Å; S148-F308 WeakPolarHBondContact OG-CD2 3.32Å; Y156-F308 AromaticContact CD2-CE2 3.84Å; Y156-F308 HydrophobicContact CD2-CE2 3.84Å; Y156-F308 HydrophobicContact CD2-CZ 4.27Å; Y156-F308 HydrophobicContact CE1-CZ 4.43Å; Y156-F308 AromaticContact CE2-CE2 3.52Å; Y156-F308 HydrophobicContact CE2-CE2 3.52Å; Y156-F308 AromaticContact CE2-CZ 4Å; Y156-F308 HydrophobicContact CE2-CZ 4Å; M178-F308 HydrophobicContact CE-CE1 3.83Å; M178-F308 HydrophobicContact CE-CZ 4.18Å; M178-F308 HydrophobicContact SD-CZ 4.45Å; I180-F308 HydrophobicContact CD1-CD1 4.34Å; I180-F308 HydrophobicContact CD1-CE1 4.27Å; W304-F308 VanDerWaalsContact O-CB 3.31Å; W304-F308 WeakPolarHBondContact O-CB 3.49Å; W304-F308 PolarHBondContact O-N 3.48Å; E305-F308 WeakPolarHBondContact O-CB 3.22Å; E305-F308 PolarHBondContact O-N 2.89Å; F308-R310 PolarHBondContact O-N 3.36Å; F308-D311 PolarHBondContact O-N 2.82Å; F308-M312 HydrophobicContact CD1-CG 4.36Å; F308-M312 HydrophobicContact CD2-CE 4.11Å; F308-M312 HydrophobicContact CD2-CG 4.07Å; F308-M312 HydrophobicContact CD2-SD 4.49Å; F308-M312 HydrophobicContact CE1-CG 3.9Å; F308-M312 HydrophobicContact CE2-CE 3.8Å; F308-M312 HydrophobicContact CE2-CG 3.57Å; F308-M312 HydrophobicContact CE2-SD 3.72Å; F308-M312 HydrophobicContact CG-CG 4.45Å; F308-M312 HydrophobicContact CZ-CG 3.49Å; F308-M312 VanDerWaalsContact CZ-CG 3.49Å; F308-M312 HydrophobicContact CZ-SD 3.97Å; F308-M312 WeakPolarHBondContact O-CG 3.48Å; F308-M312 PolarHBondContact O-N 3.38Å
309	H	97.7	Very high	96.7	Very high	63 Å²	63	52.9 Å²	52.9	29%	0.292	27%	0.27	S	S	.	.	H	α-helix	trans	-64.2	-39.1	177.9	-76.2	-61.8	0	0	0	112.5	E305 D311 M312 E313	E305-H309 PolarHBondContact O-CD2 2.68Å; E305-H309 VanDerWaalsContact O-CD2 3.24Å; E305-H309 PolarHBondContact O-N 3.17Å; E305-H309 IonicContact OE1-NE2 3.74Å; H309-D311 VanDerWaalsContact C-N 3.34Å; H309-D311 PolarHBondContact O-N 3.38Å; H309-M312 PolarHBondContact O-N 2.75Å; H309-E313 WeakPolarHBondContact O-CB 3.28Å; H309-E313 PolarHBondContact O-N 2.91Å
310	R	97.7	Very high	96.8	Very high	131 Å²	131	49.3 Å²	49.3	49%	0.494	25%	0.251	S	S	.	.	H	α-helix	trans	-60.5	-42.6	172.4	-77.3	-170.2	-77.7	-94.5	3.2	112.1	G306 E307 F308 A314	G306-R310 WeakPolarHBondContact O-CG 3.45Å; G306-R310 PolarHBondContact O-N 2.94Å; G306-R310 VanDerWaalsContact O-N 3.1Å; E307-R310 PolarHBondContact O-N 3.14Å; E307-R310 IonicContact OE1-CZ 3.7Å; E307-R310 IonicContact OE1-NE 3.88Å; E307-R310 PolarHBondContact OE1-NE 3.08Å; E307-R310 IonicContact OE1-NH2 2.89Å; E307-R310 PolarHBondContact OE1-NH2 3.44Å; F308-R310 PolarHBondContact O-N 3.36Å; R310-A314 VanDerWaalsContact O-CB 3.31Å; R310-A314 WeakPolarHBondContact O-CB 3.43Å; R310-A314 PolarHBondContact O-N 3.45Å
311	D	97.4	Very high	97	Very high	9 Å²	9	52.5 Å²	52.5	5%	0.048	27%	0.268	C	S	.	.	H	α-helix	trans	-65.6	-40.9	176.5	-74.7	-14.7	0	0	0	111.5	S148 E307 F308 H309 A314 L315 I497 K498	S148-D311 WeakPolarHBondContact CB-OD2 3.28Å; E307-D311 PolarHBondContact O-N 3.27Å; F308-D311 PolarHBondContact O-N 2.82Å; H309-D311 VanDerWaalsContact C-N 3.34Å; H309-D311 PolarHBondContact O-N 3.38Å; D311-A314 PolarHBondContact O-N 3.4Å; D311-L315 VanDerWaalsContact O-CG 3.31Å; D311-L315 WeakPolarHBondContact O-CG 3.35Å; D311-L315 PolarHBondContact O-N 2.94Å; D311-I497 HydrophobicContact CB-CB 4.27Å; D311-I497 HydrophobicContact CB-CD1 3.94Å; D311-I497 HydrophobicContact CB-CG2 4.1Å; D311-K498 WeakPolarHBondContact OD1-CE 3.4Å
312	M	97.6	Very high	97.1	Very high	11 Å²	11	54.2 Å²	54.2	5%	0.054	28%	0.278	C	S	.	.	H	α-helix	trans	-65.6	-42.9	176.9	-69.4	-51.4	97.2	0	0	111.8	Y156 F308 H309 L315 N316 V317 I497	Y156-M312 HydrophobicContact CD2-CE 4.25Å; Y156-M312 HydrophobicContact CD2-SD 3.81Å; Y156-M312 HydrophobicContact CG-SD 3.9Å; F308-M312 HydrophobicContact CD1-CG 4.36Å; F308-M312 HydrophobicContact CD2-CE 4.11Å; F308-M312 HydrophobicContact CD2-CG 4.07Å; F308-M312 HydrophobicContact CD2-SD 4.49Å; F308-M312 HydrophobicContact CE1-CG 3.9Å; F308-M312 HydrophobicContact CE2-CE 3.8Å; F308-M312 HydrophobicContact CE2-CG 3.57Å; F308-M312 HydrophobicContact CE2-SD 3.72Å; F308-M312 HydrophobicContact CG-CG 4.45Å; F308-M312 HydrophobicContact CZ-CG 3.49Å; F308-M312 VanDerWaalsContact CZ-CG 3.49Å; F308-M312 HydrophobicContact CZ-SD 3.97Å; F308-M312 WeakPolarHBondContact O-CG 3.48Å; F308-M312 PolarHBondContact O-N 3.38Å; H309-M312 PolarHBondContact O-N 2.75Å; M312-L315 HydrophobicContact CE-CD1 4.12Å; M312-L315 CarbonylContact O-C 3.56Å; M312-L315 PolarHBondContact O-N 2.93Å; M312-N316 PolarHBondContact O-N 3.24Å; M312-N316 VanDerWaalsContact O-N 3.11Å; M312-V317 HydrophobicContact CB-CB 4.08Å; M312-V317 HydrophobicContact CB-CG1 4.36Å; M312-V317 WeakPolarHBondContact O-CB 3.33Å; M312-V317 PolarHBondContact O-N 3.38Å; M312-V317 HydrophobicContact SD-CB 4.29Å; M312-V317 HydrophobicContact SD-CG1 4.25Å; M312-V317 HydrophobicContact SD-CG2 4.22Å; M312-I497 HydrophobicContact CE-CD1 3.59Å
313	E	96.7	Very high	97.2	Very high	151 Å²	151	49 Å²	49	71%	0.706	26%	0.258	S	S	*	.	H	α-helix	trans	-62.3	-44.5	174.8	-176.8	176.4	-157.4	0	0	111.3	H309 L315 N316	H309-E313 WeakPolarHBondContact O-CB 3.28Å; H309-E313 PolarHBondContact O-N 2.91Å; E313-L315 PolarHBondContact O-N 3.45Å; E313-N316 WeakPolarHBondContact O-CA 3.36Å; E313-N316 PolarHBondContact O-N 3.41Å
314	A	96	Very high	97.2	Very high	49 Å²	49	43.8 Å²	43.8	41%	0.405	24%	0.235	S	C	.	.	H	α-helix	trans	-62.3	-27.9	175.9	0	0	0	0	0	112.9	R310 D311 N316 L501 A506	R310-A314 VanDerWaalsContact O-CB 3.31Å; R310-A314 WeakPolarHBondContact O-CB 3.43Å; R310-A314 PolarHBondContact O-N 3.45Å; D311-A314 PolarHBondContact O-N 3.4Å; A314-N316 VanDerWaalsContact C-N 3.32Å; A314-L501 HydrophobicContact CB-CD1 3.83Å; A314-A506 WeakPolarHBondContact O-CB 3.2Å
315	L	96.3	Very high	97.2	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-0.5	171.7	-67.2	174.5	0	0	0	113.2	A153 I157 D311 M312 E313 V317 I497 L501 A506 L509 R510	A153-L315 HydrophobicContact CB-CD1 3.74Å; I157-L315 HydrophobicContact CD1-CB 4.17Å; I157-L315 HydrophobicContact CD1-CD1 3.93Å; I157-L315 HydrophobicContact CD1-CD2 4.07Å; I157-L315 HydrophobicContact CD1-CG 4.28Å; I157-L315 HydrophobicContact CG1-CB 4.38Å; I157-L315 HydrophobicContact CG1-CD1 4.41Å; D311-L315 VanDerWaalsContact O-CG 3.31Å; D311-L315 WeakPolarHBondContact O-CG 3.35Å; D311-L315 PolarHBondContact O-N 2.94Å; M312-L315 HydrophobicContact CE-CD1 4.12Å; M312-L315 CarbonylContact O-C 3.56Å; M312-L315 PolarHBondContact O-N 2.93Å; E313-L315 PolarHBondContact O-N 3.45Å; L315-V317 HydrophobicContact CB-CG2 4.15Å; L315-V317 PolarHBondContact O-N 3.46Å; L315-I497 HydrophobicContact CD1-CD1 3.8Å; L315-I497 HydrophobicContact CD1-CG1 4.3Å; L315-I497 HydrophobicContact CD1-CG2 3.72Å; L315-I497 HydrophobicContact CD2-CG2 4.07Å; L315-I497 HydrophobicContact CG-CG2 3.87Å; L315-L501 HydrophobicContact CD2-CD1 4.23Å; L315-L501 HydrophobicContact CD2-CD2 3.99Å; L315-L501 HydrophobicContact CD2-CG 4.28Å; L315-A506 HydrophobicContact CD2-CB 4.43Å; L315-L509 HydrophobicContact CD2-CD1 3.95Å; L315-R510 VanDerWaalsContact O-CZ 3.24Å; L315-R510 PolarHBondContact O-NH1 3.26Å; L315-R510 PolarHBondContact O-NH2 3.47Å
316	N	96.4	Very high	97.2	Very high	25 Å²	25	43.6 Å²	43.6	13%	0.134	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	38.6	-173.9	167.9	37.7	0	0	0	112.5	R164 M312 E313 A314 R510 G639 E642	R164-N316 PolarHBondContact NH2-O 2.77Å; R164-N316 PolarHBondContact NH2-OD1 3Å; M312-N316 PolarHBondContact O-N 3.24Å; M312-N316 VanDerWaalsContact O-N 3.11Å; E313-N316 WeakPolarHBondContact O-CA 3.36Å; E313-N316 PolarHBondContact O-N 3.41Å; A314-N316 VanDerWaalsContact C-N 3.32Å; N316-R510 VanDerWaalsContact C-NH2 3.25Å; N316-R510 PolarHBondContact ND2-NH1 2.92Å; N316-R510 VanDerWaalsContact ND2-NH1 3.14Å; N316-R510 PolarHBondContact O-NH2 3.39Å; N316-G639 PolarHBondContact ND2-O 2.91Å; N316-E642 HydrophobicContact CB-CG 4.23Å; N316-E642 WeakPolarHBondContact CB-OE1 3.48Å; N316-E642 VanDerWaalsContact CG-CG 3.44Å; N316-E642 WeakPolarHBondContact ND2-CG 3.44Å; N316-E642 PolarHBondContact ND2-OE1 2.94Å
317	V	97.4	Very high	97.1	Very high	22 Å²	22	44.8 Å²	44.8	13%	0.133	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-79	129.8	167.7	169.2	0	0	0	0	107.9	I157 D160 M312 L315	I157-V317 HydrophobicContact CG1-CG2 3.78Å; D160-V317 HydrophobicContact CB-CG1 4.19Å; D160-V317 HydrophobicContact CB-CG2 4.34Å; M312-V317 HydrophobicContact CB-CB 4.08Å; M312-V317 HydrophobicContact CB-CG1 4.36Å; M312-V317 WeakPolarHBondContact O-CB 3.33Å; M312-V317 PolarHBondContact O-N 3.38Å; M312-V317 HydrophobicContact SD-CB 4.29Å; M312-V317 HydrophobicContact SD-CG1 4.25Å; M312-V317 HydrophobicContact SD-CG2 4.22Å; L315-V317 HydrophobicContact CB-CG2 4.15Å; L315-V317 PolarHBondContact O-N 3.46Å
318	L	96	Very high	97	Very high	42 Å²	42	48.1 Å²	48.1	22%	0.22	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-67.5	141.8	178.9	-64.8	172.9	0	0	0	111.1	D160 R164	D160-L318 WeakPolarHBondContact OD1-CB 3.39Å; D160-L318 WeakPolarHBondContact OD1-CG 3.38Å; D160-L318 PolarHBondContact OD1-N 3.27Å; R164-L318 HydrophobicContact CG-CD1 3.85Å
319	P	96.7	Very high	97	Very high	97 Å²	97	49.8 Å²	49.8	63%	0.63	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-62.4	150.4	172.8	27.8	-34.6	0	0	0	110.8	R163	R163-P319 PolarHBondContact NH1-O 3.43Å
320	A	97.1	Very high	97	Very high	24 Å²	24	47 Å²	47	20%	0.198	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-64.7	149.7	170.8	0	0	0	0	0	110.7	Y176 M178 V322	Y176-A320 HydrophobicContact CD1-CB 3.77Å; Y176-A320 HydrophobicContact CE1-CB 4.09Å; M178-A320 HydrophobicContact CB-CB 3.83Å; A320-V322 VanDerWaalsContact C-N 3.31Å
321	D	97.9	Very high	97	Very high	84 Å²	84	45 Å²	45	45%	0.449	25%	0.251	S	S	.	.	S	Bend	trans	-72.4	-32.4	175.9	-55.9	-54.6	0	0	0	110.6	R163 L175 Y176	R163-D321 IonicContact CZ-OD2 3.76Å; R163-D321 IonicContact NH2-OD1 3.96Å; R163-D321 PolarHBondContact NH2-OD1 3.44Å; R163-D321 IonicContact NH2-OD2 2.82Å; R163-D321 PolarHBondContact NH2-OD2 3.19Å; L175-D321 HydrophobicContact CD1-CB 4.01Å; Y176-D321 WeakPolarHBondContact CB-OD2 3.45Å; Y176-D321 PolarHBondContact N-OD2 2.78Å; Y176-D321 WeakPolarHBondContact O-CB 3.44Å; Y176-D321 PolarHBondContact O-N 2.76Å
322	V	98.1	Very high	97	Very high	38 Å²	38	48.4 Å²	48.4	23%	0.23	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125.5	172.9	-173.6	0	0	0	0	109	L175 Y176 C177 M178 A320 T324 I435	L175-V322 HydrophobicContact CD1-CG2 4.23Å; Y176-V322 PolarHBondContact O-N 2.7Å; C177-V322 WeakPolarHBondContact CA-O 3.25Å; C177-V322 HydrophobicContact CB-CB 4.31Å; M178-V322 PolarHBondContact N-O 3.11Å; A320-V322 VanDerWaalsContact C-N 3.31Å; V322-T324 HydrophobicContact CG1-CG2 4.15Å; V322-I435 HydrophobicContact CG1-CD1 4.32Å; V322-I435 HydrophobicContact CG1-CG1 4.39Å; V322-I435 HydrophobicContact CG1-CG2 4.34Å; V322-I435 HydrophobicContact CG2-CG2 4.46Å
323	L	97.6	Very high	97	Very high	48 Å²	48	47.9 Å²	47.9	25%	0.251	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.3	173.2	-166.1	78.6	0	0	0	108.9	M178 I180	M178-L323 HydrophobicContact CB-CD1 4.48Å; M178-L323 HydrophobicContact CE-CD1 3.45Å; M178-L323 VanDerWaalsContact CE-CD1 3.45Å; M178-L323 VanDerWaalsContact O-CA 3.31Å; M178-L323 WeakPolarHBondContact O-CA 3.46Å; I180-L323 HydrophobicContact CD1-CD1 4.01Å; I180-L323 HydrophobicContact CG1-CD1 3.91Å; I180-L323 HydrophobicContact CG1-CD2 4.05Å; I180-L323 HydrophobicContact CG1-CG 4.03Å
324	T	97.8	Very high	97.1	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	139.2	178.8	60.6	0	0	0	0	110.7	M178 N179 I180 V322 Y329 M431 I435	M178-T324 PolarHBondContact O-N 3.47Å; N179-T324 CarbonylContact C-O 3.54Å; N179-T324 WeakPolarHBondContact CA-O 3.23Å; N179-T324 WeakPolarHBondContact CA-OG1 3.4Å; N179-T324 WeakPolarHBondContact CB-OG1 3.33Å; I180-T324 PolarHBondContact N-O 3.42Å; V322-T324 HydrophobicContact CG1-CG2 4.15Å; T324-Y329 HydrophobicContact CG2-CE1 4.43Å; T324-Y329 HydrophobicContact CG2-CE2 3.81Å; T324-M431 VanDerWaalsContact CB-SD 3.55Å; T324-M431 PolarHBondContact OG1-SD 3.49Å; T324-I435 HydrophobicContact CG2-CG1 4.17Å
325	R	97.7	Very high	97.2	Very high	64 Å²	64	43.3 Å²	43.3	24%	0.242	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	138.9	174.7	-56.9	-174.7	-176.2	71.6	11.3	109.8	I180 E305 S327 E328 Y329	I180-R325 HydrophobicContact CB-CG 4.27Å; E305-R325 VanDerWaalsContact CD-NE 3.32Å; E305-R325 IonicContact OE1-CZ 2.82Å; E305-R325 IonicContact OE1-NE 3Å; E305-R325 PolarHBondContact OE1-NE 3.34Å; E305-R325 IonicContact OE1-NH2 2.85Å; E305-R325 PolarHBondContact OE1-NH2 3.49Å; E305-R325 IonicContact OE2-CZ 3.69Å; E305-R325 IonicContact OE2-NE 3.89Å; E305-R325 PolarHBondContact OE2-NE 3.23Å; R325-S327 PolarHBondContact O-N 3.16Å; R325-E328 HydrophobicContact CB-CB 4.4Å; R325-E328 HydrophobicContact CB-CG 4.03Å; R325-E328 WeakPolarHBondContact CD-OE1 3.29Å; R325-E328 IonicContact CZ-OE1 2.73Å; R325-E328 IonicContact NE-OE1 3.55Å; R325-E328 IonicContact NH1-OE1 2.8Å; R325-E328 PolarHBondContact NH1-OE1 3.02Å; R325-E328 IonicContact NH1-OE2 2.78Å; R325-E328 WeakPolarHBondContact O-CB 3.28Å; R325-E328 PolarHBondContact O-N 2.81Å; R325-Y329 VanDerWaalsContact O-CD2 3.31Å; R325-Y329 WeakPolarHBondContact O-CD2 3.42Å; R325-Y329 PolarHBondContact O-N 3.02Å
326	V	96.8	Very high	97.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-58.9	-41.6	-176.8	-172.9	0	0	0	0	110.9	I180 D182 I183 E328 Y329 V330 I333 P422 E427 M431	I180-V326 PolarHBondContact O-N 2.86Å; D182-V326 WeakPolarHBondContact OD1-CA 3.3Å; D182-V326 VanDerWaalsContact OD1-CB 3.27Å; D182-V326 WeakPolarHBondContact OD1-CB 3.45Å; D182-V326 PolarHBondContact OD1-N 3.46Å; I183-V326 HydrophobicContact CB-CB 4.43Å; I183-V326 HydrophobicContact CB-CG1 4.26Å; I183-V326 HydrophobicContact CD1-CB 4.3Å; I183-V326 HydrophobicContact CD1-CG1 4.01Å; I183-V326 HydrophobicContact CG1-CB 4.42Å; I183-V326 HydrophobicContact CG1-CG1 4.44Å; V326-E328 PolarHBondContact O-N 3.35Å; V326-Y329 PolarHBondContact O-N 3.47Å; V326-Y329 VanDerWaalsContact O-N 3.08Å; V326-V330 WeakPolarHBondContact O-CG2 3.33Å; V326-V330 PolarHBondContact O-N 3.48Å; V326-I333 HydrophobicContact CG1-CD1 3.83Å; V326-P422 HydrophobicContact CG1-CG 3.79Å; V326-E427 HydrophobicContact CB-CG 4.49Å; V326-E427 HydrophobicContact CG1-CB 4.08Å; V326-E427 HydrophobicContact CG1-CG 3.55Å; V326-E427 HydrophobicContact CG2-CB 3.97Å; V326-E427 HydrophobicContact CG2-CG 4.06Å; V326-E427 VanDerWaalsContact CG2-OE2 3.26Å; V326-E427 WeakPolarHBondContact CG2-OE2 3.38Å; V326-M431 HydrophobicContact CG2-CE 3.9Å; V326-M431 HydrophobicContact CG2-SD 4.46Å
327	S	94.9	Very high	97.4	Very high	50 Å²	50	42.3 Å²	42.3	35%	0.35	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-60.8	-25.4	178.6	67.6	0	0	0	0	114.4	D182 R325	D182-S327 PolarHBondContact OD1-N 3.06Å; D182-S327 WeakPolarHBondContact OD2-CB 3.36Å; D182-S327 PolarHBondContact OD2-OG 2.95Å; R325-S327 PolarHBondContact O-N 3.16Å
328	E	96.4	Very high	97.4	Very high	97 Å²	97	46.7 Å²	46.7	45%	0.453	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-83.8	-18.6	178.4	-65.4	170.7	-179.3	0	0	112.7	R325 V326	R325-E328 HydrophobicContact CB-CB 4.4Å; R325-E328 HydrophobicContact CB-CG 4.03Å; R325-E328 WeakPolarHBondContact CD-OE1 3.29Å; R325-E328 IonicContact CZ-OE1 2.73Å; R325-E328 IonicContact NE-OE1 3.55Å; R325-E328 IonicContact NH1-OE1 2.8Å; R325-E328 PolarHBondContact NH1-OE1 3.02Å; R325-E328 IonicContact NH1-OE2 2.78Å; R325-E328 WeakPolarHBondContact O-CB 3.28Å; R325-E328 PolarHBondContact O-N 2.81Å; V326-E328 PolarHBondContact O-N 3.35Å
329	Y	97.5	Very high	97.5	Very high	39 Å²	39	48 Å²	48	15%	0.153	25%	0.248	C	C	.	.	S	Bend	trans	-114.1	14.3	-173	-75.9	-103.2	0	0	0	113.5	T324 R325 V326 P331 E332 I333 M431	T324-Y329 HydrophobicContact CG2-CE1 4.43Å; T324-Y329 HydrophobicContact CG2-CE2 3.81Å; R325-Y329 VanDerWaalsContact O-CD2 3.31Å; R325-Y329 WeakPolarHBondContact O-CD2 3.42Å; R325-Y329 PolarHBondContact O-N 3.02Å; V326-Y329 PolarHBondContact O-N 3.47Å; V326-Y329 VanDerWaalsContact O-N 3.08Å; Y329-P331 VanDerWaalsContact C-CD 3.49Å; Y329-E332 WeakPolarHBondContact CA-OE2 3.43Å; Y329-E332 HydrophobicContact CD1-CB 4.42Å; Y329-E332 HydrophobicContact CD1-CG 4.26Å; Y329-E332 PolarHBondContact O-N 3.07Å; Y329-I333 VanDerWaalsContact O-CG1 3.28Å; Y329-I333 WeakPolarHBondContact O-CG1 3.47Å; Y329-I333 PolarHBondContact O-N 2.87Å; Y329-M431 HydrophobicContact CD1-CG 4.01Å; Y329-M431 HydrophobicContact CD2-CG 4.14Å; Y329-M431 HydrophobicContact CD2-SD 4.33Å; Y329-M431 HydrophobicContact CG-CG 3.71Å; Y329-M431 HydrophobicContact CG-SD 4.43Å
330	V	97.1	Very high	97.5	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.03	22%	0.218	C	C	.	.	H	α-helix	trans	-56.6	-42.8	179.9	-178.9	0	0	0	0	112.9	I183 V326 E332 I333 V334 W403 W413	I183-V330 HydrophobicContact CD1-CG2 4.16Å; V326-V330 WeakPolarHBondContact O-CG2 3.33Å; V326-V330 PolarHBondContact O-N 3.48Å; V330-E332 PolarHBondContact O-N 3.19Å; V330-I333 PolarHBondContact O-N 3.23Å; V330-V334 HydrophobicContact CG1-CG2 4.39Å; V330-V334 WeakPolarHBondContact O-CG2 3.4Å; V330-V334 PolarHBondContact O-N 2.63Å; V330-W403 HydrophobicContact CG1-CH2 3.91Å; V330-W403 HydrophobicContact CG1-CZ3 4.16Å; V330-W413 HydrophobicContact CB-CG 4.4Å; V330-W413 HydrophobicContact CG1-CB 3.78Å; V330-W413 HydrophobicContact CG1-CD2 4.3Å; V330-W413 HydrophobicContact CG1-CG 3.72Å; V330-W413 HydrophobicContact CG2-CD2 4.26Å; V330-W413 HydrophobicContact CG2-CG 4.34Å
331	P	97.3	Very high	97.5	Very high	89 Å²	89	44.1 Å²	44.1	58%	0.578	22%	0.22	S	C	*	.	H	α-helix	trans	-59.2	-44.4	176.1	-24.5	35.9	0	0	0	113.2	Y329 I333 V334 E335	Y329-P331 VanDerWaalsContact C-CD 3.49Å; P331-I333 VanDerWaalsContact C-N 3.34Å; P331-V334 PolarHBondContact O-N 2.8Å; P331-E335 PolarHBondContact O-N 3.29Å
332	E	98	Very high	97.5	Very high	80 Å²	80	43.8 Å²	43.8	37%	0.374	22%	0.224	S	C	.	.	H	α-helix	trans	-63.1	-41.1	176.7	-69	76.5	-176.1	0	0	110.9	Y329 V330 E335 F336	Y329-E332 WeakPolarHBondContact CA-OE2 3.43Å; Y329-E332 HydrophobicContact CD1-CB 4.42Å; Y329-E332 HydrophobicContact CD1-CG 4.26Å; Y329-E332 PolarHBondContact O-N 3.07Å; V330-E332 PolarHBondContact O-N 3.19Å; E332-E335 PolarHBondContact O-N 2.91Å; E332-F336 WeakPolarHBondContact O-CB 3.41Å; E332-F336 PolarHBondContact O-N 3.43Å
333	I	98.1	Very high	97.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.5	-46.7	175	-67.8	161	0	0	0	110.7	V326 Y329 V330 P331 E335 F336 V337 P422 I426 E427 A430	V326-I333 HydrophobicContact CG1-CD1 3.83Å; Y329-I333 VanDerWaalsContact O-CG1 3.28Å; Y329-I333 WeakPolarHBondContact O-CG1 3.47Å; Y329-I333 PolarHBondContact O-N 2.87Å; V330-I333 PolarHBondContact O-N 3.23Å; P331-I333 VanDerWaalsContact C-N 3.34Å; I333-E335 VanDerWaalsContact C-N 3.3Å; I333-E335 PolarHBondContact O-N 3.43Å; I333-F336 WeakPolarHBondContact O-CB 3.43Å; I333-F336 PolarHBondContact O-N 3.13Å; I333-F336 VanDerWaalsContact O-N 3.14Å; I333-V337 HydrophobicContact CG2-CG2 4.38Å; I333-V337 WeakPolarHBondContact O-CG2 3.29Å; I333-V337 PolarHBondContact O-N 3.38Å; I333-P422 HydrophobicContact CD1-CB 4.15Å; I333-P422 HydrophobicContact CD1-CG 4.37Å; I333-P422 HydrophobicContact CG2-CB 3.97Å; I333-I426 HydrophobicContact CG2-CB 4.48Å; I333-I426 HydrophobicContact CG2-CG1 4.04Å; I333-I426 HydrophobicContact CG2-CG2 3.64Å; I333-E427 HydrophobicContact CD1-CG 4.48Å; I333-A430 HydrophobicContact CB-CB 4.26Å; I333-A430 HydrophobicContact CG1-CB 3.57Å
334	V	98.1	Very high	97.3	Very high	19 Å²	19	43.4 Å²	43.4	12%	0.115	23%	0.231	C	C	.	.	H	α-helix	trans	-58.9	-44.3	178.2	170	0	0	0	0	110.8	V330 P331 F336 V337 R338 W403 P416 W417	V330-V334 HydrophobicContact CG1-CG2 4.39Å; V330-V334 WeakPolarHBondContact O-CG2 3.4Å; V330-V334 PolarHBondContact O-N 2.63Å; P331-V334 PolarHBondContact O-N 2.8Å; V334-F336 VanDerWaalsContact C-N 3.34Å; V334-V337 PolarHBondContact O-N 2.94Å; V334-R338 WeakPolarHBondContact O-CB 3.25Å; V334-R338 PolarHBondContact O-N 3.34Å; V334-W403 HydrophobicContact CG2-CE3 4.23Å; V334-W403 HydrophobicContact CG2-CH2 3.63Å; V334-W403 HydrophobicContact CG2-CZ2 4.39Å; V334-W403 HydrophobicContact CG2-CZ3 3.54Å; V334-P416 VanDerWaalsContact CG1-CD 3.45Å; V334-P416 HydrophobicContact CG1-CG 4.22Å; V334-W417 HydrophobicContact CG1-CH2 4.47Å; V334-W417 HydrophobicContact CG1-CZ3 4.2Å
335	E	98	Very high	97.2	Very high	84 Å²	84	44.3 Å²	44.3	39%	0.393	23%	0.234	S	C	.	.	H	α-helix	trans	-64.1	-39.6	176.1	179.3	54.9	-157.6	0	0	112.1	P331 E332 I333 R338 K339	P331-E335 PolarHBondContact O-N 3.29Å; E332-E335 PolarHBondContact O-N 2.91Å; I333-E335 VanDerWaalsContact C-N 3.3Å; I333-E335 PolarHBondContact O-N 3.43Å; E335-R338 WeakPolarHBondContact O-CB 3.11Å; E335-R338 PolarHBondContact O-N 3.15Å; E335-R338 IonicContact OE1-CZ 3.65Å; E335-R338 IonicContact OE1-NE 3.39Å; E335-R338 PolarHBondContact OE1-NE 2.94Å; E335-R338 IonicContact OE1-NH2 2.81Å; E335-R338 PolarHBondContact OE1-NH2 2.85Å; E335-R338 IonicContact OE2-CZ 2.84Å; E335-R338 IonicContact OE2-NE 3.62Å; E335-R338 PolarHBondContact OE2-NE 3.38Å; E335-R338 IonicContact OE2-NH2 3.85Å; E335-R338 PolarHBondContact OE2-NH2 3.42Å; E335-K339 PolarHBondContact O-N 3.43Å
336	F	98.1	Very high	97.2	Very high	5 Å²	5	41.8 Å²	41.8	2%	0.022	23%	0.228	C	C	.	.	H	α-helix	trans	-60.2	-48.7	175.9	-151.9	-79.7	0	0	0	111.7	E332 I333 V334 R338 K339 I340 I426 A430 Q460 F464 F465	E332-F336 WeakPolarHBondContact O-CB 3.41Å; E332-F336 PolarHBondContact O-N 3.43Å; I333-F336 WeakPolarHBondContact O-CB 3.43Å; I333-F336 PolarHBondContact O-N 3.13Å; I333-F336 VanDerWaalsContact O-N 3.14Å; V334-F336 VanDerWaalsContact C-N 3.34Å; F336-R338 VanDerWaalsContact C-N 3.34Å; F336-R338 PolarHBondContact O-N 3.45Å; F336-K339 PolarHBondContact O-N 2.9Å; F336-I340 HydrophobicContact CD1-CD1 3.7Å; F336-I340 HydrophobicContact CD1-CG1 4.18Å; F336-I340 HydrophobicContact CE1-CD1 3.85Å; F336-I340 HydrophobicContact CE1-CG1 4.38Å; F336-I340 WeakPolarHBondContact O-CG1 3.36Å; F336-I340 PolarHBondContact O-N 2.94Å; F336-I426 HydrophobicContact CD1-CD1 3.56Å; F336-I426 HydrophobicContact CE1-CD1 4Å; F336-I426 HydrophobicContact CG-CD1 4.42Å; F336-A430 HydrophobicContact CB-CB 3.99Å; F336-A430 HydrophobicContact CD2-CB 3.92Å; F336-A430 HydrophobicContact CG-CB 4.01Å; F336-Q460 HydrophobicContact CE1-CB 4.42Å; F336-F464 HydrophobicContact CB-CD2 4.18Å; F336-F464 HydrophobicContact CB-CE2 4.21Å; F336-F464 HydrophobicContact CD1-CB 3.93Å; F336-F464 AromaticContact CD1-CD2 3.61Å; F336-F464 HydrophobicContact CD1-CD2 3.61Å; F336-F464 HydrophobicContact CD1-CE2 4.42Å; F336-F464 AromaticContact CD1-CG 3.92Å; F336-F464 HydrophobicContact CD1-CG 3.92Å; F336-F464 HydrophobicContact CD2-CD1 4.08Å; F336-F464 AromaticContact CD2-CD2 3.52Å; F336-F464 HydrophobicContact CD2-CD2 3.52Å; F336-F464 HydrophobicContact CD2-CE1 4.15Å; F336-F464 AromaticContact CD2-CE2 3.62Å; F336-F464 HydrophobicContact CD2-CE2 3.62Å; F336-F464 AromaticContact CD2-CG 3.79Å; F336-F464 HydrophobicContact CD2-CG 3.79Å; F336-F464 AromaticContact CD2-CZ 3.94Å; F336-F464 HydrophobicContact CD2-CZ 3.94Å; F336-F464 HydrophobicContact CE1-CB 3.34Å; F336-F464 HydrophobicContact CE1-CD1 4.46Å; F336-F464 AromaticContact CE1-CD2 3.88Å; F336-F464 HydrophobicContact CE1-CD2 3.88Å; F336-F464 AromaticContact CE1-CG 3.66Å; F336-F464 HydrophobicContact CE1-CG 3.66Å; F336-F464 HydrophobicContact CE2-CB 4.02Å; F336-F464 AromaticContact CE2-CD1 3.56Å; F336-F464 HydrophobicContact CE2-CD1 3.56Å; F336-F464 AromaticContact CE2-CD2 3.76Å; F336-F464 HydrophobicContact CE2-CD2 3.76Å; F336-F464 AromaticContact CE2-CE1 3.92Å; F336-F464 HydrophobicContact CE2-CE1 3.92Å; F336-F464 HydrophobicContact CE2-CE2 4.12Å; F336-F464 AromaticContact CE2-CG 3.49Å; F336-F464 HydrophobicContact CE2-CG 3.49Å; F336-F464 VanDerWaalsContact CE2-CG 3.49Å; F336-F464 HydrophobicContact CE2-CZ 4.19Å; F336-F464 AromaticContact CG-CD2 3.47Å; F336-F464 HydrophobicContact CG-CD2 3.47Å; F336-F464 VanDerWaalsContact CG-CD2 3.47Å; F336-F464 AromaticContact CG-CE2 3.82Å; F336-F464 HydrophobicContact CG-CE2 3.82Å; F336-F464 HydrophobicContact CG-CG 4.02Å; F336-F464 HydrophobicContact CZ-CB 3.41Å; F336-F464 VanDerWaalsContact CZ-CB 3.41Å; F336-F464 AromaticContact CZ-CD1 3.81Å; F336-F464 HydrophobicContact CZ-CD1 3.81Å; F336-F464 AromaticContact CZ-CD2 3.95Å; F336-F464 HydrophobicContact CZ-CD2 3.95Å; F336-F464 AromaticContact CZ-CG 3.45Å; F336-F464 HydrophobicContact CZ-CG 3.45Å; F336-F464 VanDerWaalsContact CZ-CG 3.45Å; F336-F465 HydrophobicContact CE2-CE2 4.46Å
337	V	98.2	Very high	97.2	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.9	-42.8	175.9	178.6	0	0	0	0	110.9	I333 V334 K339 I340 V341 V353 L402 W417 I426	I333-V337 HydrophobicContact CG2-CG2 4.38Å; I333-V337 WeakPolarHBondContact O-CG2 3.29Å; I333-V337 PolarHBondContact O-N 3.38Å; V334-V337 PolarHBondContact O-N 2.94Å; V337-K339 VanDerWaalsContact C-N 3.26Å; V337-K339 PolarHBondContact O-N 3.41Å; V337-I340 PolarHBondContact O-N 2.74Å; V337-V341 HydrophobicContact CG1-CG2 4.38Å; V337-V341 WeakPolarHBondContact O-CG2 3.47Å; V337-V341 PolarHBondContact O-N 2.86Å; V337-V353 HydrophobicContact CG1-CB 4.03Å; V337-V353 HydrophobicContact CG1-CG1 3.7Å; V337-V353 HydrophobicContact CG1-CG2 4.27Å; V337-L402 HydrophobicContact CG1-CB 3.93Å; V337-L402 HydrophobicContact CG1-CD1 4.19Å; V337-L402 HydrophobicContact CG2-CB 3.85Å; V337-W417 HydrophobicContact CB-CH2 3.54Å; V337-W417 HydrophobicContact CB-CZ2 4.4Å; V337-W417 HydrophobicContact CB-CZ3 3.98Å; V337-W417 HydrophobicContact CG1-CH2 3.3Å; V337-W417 HydrophobicContact CG1-CZ2 3.81Å; V337-W417 HydrophobicContact CG1-CZ3 3.72Å; V337-I426 HydrophobicContact CG2-CD1 4.28Å; V337-I426 HydrophobicContact CG2-CG1 3.7Å
338	R	98	Very high	97.2	Very high	115 Å²	115	44.1 Å²	44.1	43%	0.434	24%	0.237	S	C	.	.	H	α-helix	trans	-57.5	-42.7	178.2	-169.4	-170	70	75.7	-0.9	111	V334 E335 F336 V341 S342 W417	V334-R338 WeakPolarHBondContact O-CB 3.25Å; V334-R338 PolarHBondContact O-N 3.34Å; E335-R338 WeakPolarHBondContact O-CB 3.11Å; E335-R338 PolarHBondContact O-N 3.15Å; E335-R338 IonicContact OE1-CZ 3.65Å; E335-R338 IonicContact OE1-NE 3.39Å; E335-R338 PolarHBondContact OE1-NE 2.94Å; E335-R338 IonicContact OE1-NH2 2.81Å; E335-R338 PolarHBondContact OE1-NH2 2.85Å; E335-R338 IonicContact OE2-CZ 2.84Å; E335-R338 IonicContact OE2-NE 3.62Å; E335-R338 PolarHBondContact OE2-NE 3.38Å; E335-R338 IonicContact OE2-NH2 3.85Å; E335-R338 PolarHBondContact OE2-NH2 3.42Å; F336-R338 VanDerWaalsContact C-N 3.34Å; F336-R338 PolarHBondContact O-N 3.45Å; R338-V341 PolarHBondContact O-N 2.84Å; R338-S342 WeakPolarHBondContact O-CB 3.47Å; R338-S342 PolarHBondContact O-N 3.46Å; R338-W417 HydrophobicContact CB-CH2 4.24Å; R338-W417 HydrophobicContact CB-CZ2 4.27Å
339	K	97.8	Very high	97.1	Very high	68 Å²	68	40.9 Å²	40.9	30%	0.296	23%	0.225	S	C	.	.	H	α-helix	trans	-69.4	-42.8	178.8	-161.6	-175.6	-175.6	-161.4	0	112.4	E335 F336 V337 V341 S342 N343 F464	E335-K339 PolarHBondContact O-N 3.43Å; F336-K339 PolarHBondContact O-N 2.9Å; V337-K339 VanDerWaalsContact C-N 3.26Å; V337-K339 PolarHBondContact O-N 3.41Å; K339-V341 VanDerWaalsContact C-N 3.3Å; K339-V341 PolarHBondContact O-N 2.81Å; K339-S342 WeakPolarHBondContact CA-OG 3.37Å; K339-S342 PolarHBondContact O-N 2.79Å; K339-S342 VanDerWaalsContact O-N 3.11Å; K339-S342 PolarHBondContact O-OG 3.27Å; K339-N343 WeakPolarHBondContact O-CB 3.49Å; K339-N343 VanDerWaalsContact O-CG 3.3Å; K339-N343 PolarHBondContact O-N 2.92Å; K339-F464 HydrophobicContact CB-CD2 3.61Å; K339-F464 HydrophobicContact CB-CE2 3.59Å; K339-F464 HydrophobicContact CD-CD1 4.33Å; K339-F464 HydrophobicContact CD-CD2 3.48Å; K339-F464 VanDerWaalsContact CD-CD2 3.48Å; K339-F464 HydrophobicContact CD-CE1 4.13Å; K339-F464 HydrophobicContact CD-CE2 3.2Å; K339-F464 HydrophobicContact CD-CG 4.03Å; K339-F464 HydrophobicContact CD-CZ 3.57Å; K339-F464 WeakPolarHBondContact CD-O 3.46Å; K339-F464 VanDerWaalsContact CE-O 3.27Å; K339-F464 WeakPolarHBondContact CE-O 3.29Å; K339-F464 HydrophobicContact CG-CD2 4.05Å; K339-F464 HydrophobicContact CG-CE2 4.01Å; K339-F464 PolarHBondContact NZ-O 2.92Å
340	I	97.6	Very high	96.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-56	-45.7	173.9	-69.6	174.8	0	0	0	110.9	F336 V337 N343 G344 Y345 F355 L402 I426 Q460 A463 F464	F336-I340 HydrophobicContact CD1-CD1 3.7Å; F336-I340 HydrophobicContact CD1-CG1 4.18Å; F336-I340 HydrophobicContact CE1-CD1 3.85Å; F336-I340 HydrophobicContact CE1-CG1 4.38Å; F336-I340 WeakPolarHBondContact O-CG1 3.36Å; F336-I340 PolarHBondContact O-N 2.94Å; V337-I340 PolarHBondContact O-N 2.74Å; I340-N343 PolarHBondContact O-N 3.39Å; I340-G344 PolarHBondContact O-N 3.06Å; I340-Y345 PolarHBondContact O-N 3.37Å; I340-Y345 VanDerWaalsContact O-N 3.13Å; I340-F355 HydrophobicContact CG2-CD2 3.92Å; I340-F355 HydrophobicContact CG2-CE2 4Å; I340-L402 HydrophobicContact CB-CD1 4.38Å; I340-L402 HydrophobicContact CD1-CD1 4.29Å; I340-L402 HydrophobicContact CD1-CD2 4.49Å; I340-L402 HydrophobicContact CG2-CD1 3.8Å; I340-I426 HydrophobicContact CD1-CD1 3.85Å; I340-Q460 HydrophobicContact CD1-CB 4.04Å; I340-Q460 HydrophobicContact CD1-CG 4.27Å; I340-A463 HydrophobicContact CG1-CB 4.41Å; I340-A463 HydrophobicContact CG2-CB 4.49Å; I340-F464 HydrophobicContact CG1-CB 4.13Å
341	V	97.3	Very high	96.3	Very high	40 Å²	40	45.9 Å²	45.9	24%	0.242	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-44.7	176.3	174.2	0	0	0	0	110.6	V337 R338 K339 N343 G344 V353 W417	V337-V341 HydrophobicContact CG1-CG2 4.38Å; V337-V341 WeakPolarHBondContact O-CG2 3.47Å; V337-V341 PolarHBondContact O-N 2.86Å; R338-V341 PolarHBondContact O-N 2.84Å; K339-V341 VanDerWaalsContact C-N 3.3Å; K339-V341 PolarHBondContact O-N 2.81Å; V341-N343 VanDerWaalsContact C-N 3.26Å; V341-N343 PolarHBondContact O-N 3.43Å; V341-G344 PolarHBondContact O-N 3.39Å; V341-V353 HydrophobicContact CG2-CG1 3.6Å; V341-W417 HydrophobicContact CG2-CZ2 4.5Å
342	S	97.2	Very high	96.1	Very high	77 Å²	77	41.8 Å²	41.8	54%	0.538	24%	0.235	S	C	.	.	H	α-helix	trans	-63.9	-30.5	178.2	74.2	0	0	0	0	113.6	R338 K339 G344	R338-S342 WeakPolarHBondContact O-CB 3.47Å; R338-S342 PolarHBondContact O-N 3.46Å; K339-S342 WeakPolarHBondContact CA-OG 3.37Å; K339-S342 PolarHBondContact O-N 2.79Å; K339-S342 VanDerWaalsContact O-N 3.11Å; K339-S342 PolarHBondContact O-OG 3.27Å; S342-G344 PolarHBondContact O-N 3.37Å
343	N	96	Very high	96.1	Very high	40 Å²	40	38 Å²	38	21%	0.214	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-4.3	175	-69	-8.2	0	0	0	112.5	K339 I340 V341 Y345 A463	K339-N343 WeakPolarHBondContact O-CB 3.49Å; K339-N343 VanDerWaalsContact O-CG 3.3Å; K339-N343 PolarHBondContact O-N 2.92Å; I340-N343 PolarHBondContact O-N 3.39Å; V341-N343 VanDerWaalsContact C-N 3.26Å; V341-N343 PolarHBondContact O-N 3.43Å; N343-Y345 HydrophobicContact CB-CD2 3.9Å; N343-Y345 HydrophobicContact CB-CE2 4.22Å; N343-A463 PolarHBondContact ND2-O 3.36Å
344	G	95.6	Very high	96	Very high	39 Å²	39	38.3 Å²	38.3	40%	0.402	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	13.9	174.6	0	0	0	0	0	115	I340 V341 S342 R359	I340-G344 PolarHBondContact O-N 3.06Å; V341-G344 PolarHBondContact O-N 3.39Å; S342-G344 PolarHBondContact O-N 3.37Å; G344-R359 WeakPolarHBondContact O-CG 3.01Å
345	Y	96.3	Very high	95.9	Very high	19 Å²	19	37.4 Å²	37.4	8%	0.075	21%	0.212	C	C	.	.	S	Bend	trans	-103.2	-0.9	179.4	-60.7	-66.1	0	0	0	113.5	I340 N343 D356 R359 F360 S363 H366 A463	I340-Y345 PolarHBondContact O-N 3.37Å; I340-Y345 VanDerWaalsContact O-N 3.13Å; N343-Y345 HydrophobicContact CB-CD2 3.9Å; N343-Y345 HydrophobicContact CB-CE2 4.22Å; Y345-D356 PolarHBondContact O-N 2.92Å; Y345-R359 HydrophobicContact CD1-CG 4.24Å; Y345-F360 HydrophobicContact CD1-CB 3.98Å; Y345-F360 AromaticContact CD1-CD2 3.82Å; Y345-F360 HydrophobicContact CD1-CD2 3.82Å; Y345-F360 HydrophobicContact CD1-CG 4.4Å; Y345-F360 HydrophobicContact CE1-CB 4.38Å; Y345-F360 AromaticContact CE1-CD2 3.97Å; Y345-F360 HydrophobicContact CE1-CD2 3.97Å; Y345-F360 HydrophobicContact CG-CD2 4.2Å; Y345-S363 PolarHBondContact OH-OG 3.41Å; Y345-S363 VanDerWaalsContact OH-OG 3.08Å; Y345-H366 AromaticContact CZ-CD2 3.93Å; Y345-A463 HydrophobicContact CD2-CB 3.59Å; Y345-A463 HydrophobicContact CE2-CB 4.32Å; Y345-A463 HydrophobicContact CG-CB 3.93Å
346	G	96.3	Very high	95.8	Very high	11 Å²	11	34.3 Å²	34.3	11%	0.113	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	153.7	175.5	0	0	0	0	0	112.5	Y354	G346-Y354 CarbonylContact C-O 3.58Å; G346-Y354 WeakPolarHBondContact CA-O 3.2Å
347	Y	96.6	Very high	95.5	Very high	25 Å²	25	34.4 Å²	34.4	10%	0.098	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151.3	176.4	63.4	-87.7	0	0	0	112.2	V353 Y354 D356 K394 K395 D399	Y347-V353 WeakPolarHBondContact O-CA 3.46Å; Y347-Y354 HydrophobicContact CE2-CD2 4.1Å; Y347-Y354 HydrophobicContact CE2-CG 4.32Å; Y347-Y354 PolarHBondContact N-O 3.42Å; Y347-Y354 PolarHBondContact O-N 3.1Å; Y347-D356 HydrophobicContact CD1-CB 3.9Å; Y347-D356 HydrophobicContact CE1-CB 3.98Å; Y347-K394 WeakPolarHBondContact OH-CA 3.3Å; Y347-K395 HydrophobicContact CD1-CD 4.06Å; Y347-K395 HydrophobicContact CD2-CD 4.42Å; Y347-K395 HydrophobicContact CD2-CG 4.44Å; Y347-K395 HydrophobicContact CE1-CB 4.42Å; Y347-K395 HydrophobicContact CE1-CD 3.84Å; Y347-K395 HydrophobicContact CE1-CG 4.14Å; Y347-K395 HydrophobicContact CE2-CD 4.23Å; Y347-K395 HydrophobicContact CE2-CG 3.88Å; Y347-K395 HydrophobicContact CG-CD 4.34Å; Y347-K395 PolarHBondContact OH-N 3.46Å; Y347-D399 WeakPolarHBondContact CE1-OD2 3.35Å; Y347-D399 PolarHBondContact OH-OD2 2.84Å
348	V	96	Very high	95.2	Very high	75 Å²	75	41 Å²	41	46%	0.455	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	136.3	178.4	-173	0	0	0	0	109.6	S352 V353 W417	V348-S352 CarbonylContact C-O 3.56Å; V348-S352 WeakPolarHBondContact CA-O 3.13Å; V348-V353 HydrophobicContact CG2-CG2 4.33Å; V348-W417 HydrophobicContact CG2-CG 4.34Å
349	S	93.9	Very high	94.9	Very high	28 Å²	28	41.9 Å²	41.9	20%	0.196	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	122.8	174.4	-173	0	0	0	0	108.9	G351 S352 E393	S349-G351 VanDerWaalsContact C-N 3.3Å; S349-G351 PolarHBondContact O-N 2.95Å; S349-S352 PolarHBondContact N-O 3.33Å; S349-S352 WeakPolarHBondContact O-CA 3.26Å; S349-S352 WeakPolarHBondContact O-CB 3.19Å; S349-S352 PolarHBondContact O-N 3.19Å; S349-S352 VanDerWaalsContact O-O 3.14Å; S349-E393 WeakPolarHBondContact CB-O 3.3Å; S349-E393 PolarHBondContact OG-O 2.68Å
350	N	88.7	Confident	94.7	Very high	122 Å²	122	38.7 Å²	38.7	65%	0.652	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	42	179.8	-64.3	-13.3	0	0	0	115.3	S352 E393	N350-S352 PolarHBondContact O-N 2.93Å; N350-E393 WeakPolarHBondContact CB-OE1 3.37Å; N350-E393 PolarHBondContact ND2-OE1 3.28Å
351	G	88.6	Confident	94.3	Very high	27 Å²	27	42.7 Å²	42.7	28%	0.278	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	-2.9	-178.7	0	0	0	0	0	114.9	S349	S349-G351 VanDerWaalsContact C-N 3.3Å; S349-G351 PolarHBondContact O-N 2.95Å
352	S	94.1	Very high	93.9	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.028	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	161.8	169.4	-59.8	0	0	0	0	110.5	V348 S349 N350 W403 A405	V348-S352 CarbonylContact C-O 3.56Å; V348-S352 WeakPolarHBondContact CA-O 3.13Å; S349-S352 PolarHBondContact N-O 3.33Å; S349-S352 WeakPolarHBondContact O-CA 3.26Å; S349-S352 WeakPolarHBondContact O-CB 3.19Å; S349-S352 PolarHBondContact O-N 3.19Å; S349-S352 VanDerWaalsContact O-O 3.14Å; N350-S352 PolarHBondContact O-N 2.93Å; S352-W403 CarbonylContact C-O 3.47Å; S352-W403 WeakPolarHBondContact CA-O 3.34Å; S352-W403 WeakPolarHBondContact CB-O 3.46Å; S352-A405 PolarHBondContact OG-N 3.04Å
353	V	96.9	Very high	93.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.7	175.6	-171.4	0	0	0	0	109.1	V337 V341 Y347 V348 L402 W403 W417	V337-V353 HydrophobicContact CG1-CB 4.03Å; V337-V353 HydrophobicContact CG1-CG1 3.7Å; V337-V353 HydrophobicContact CG1-CG2 4.27Å; V341-V353 HydrophobicContact CG2-CG1 3.6Å; Y347-V353 WeakPolarHBondContact O-CA 3.46Å; V348-V353 HydrophobicContact CG2-CG2 4.33Å; V353-L402 HydrophobicContact CB-CB 4.4Å; V353-L402 HydrophobicContact CG1-CB 4.36Å; V353-L402 HydrophobicContact CG1-CD1 4.22Å; V353-L402 PolarHBondContact O-N 3.04Å; V353-W403 HydrophobicContact CB-CB 3.97Å; V353-W403 HydrophobicContact CG2-CB 3.99Å; V353-W403 PolarHBondContact N-O 3.5Å; V353-W403 PolarHBondContact O-N 3.07Å; V353-W403 VanDerWaalsContact O-N 3.14Å; V353-W417 HydrophobicContact CG2-CB 4.2Å; V353-W417 HydrophobicContact CG2-CD2 3.35Å; V353-W417 HydrophobicContact CG2-CE3 3.71Å; V353-W417 HydrophobicContact CG2-CG 3.55Å; V353-W417 HydrophobicContact CG2-CZ2 4.29Å; V353-W417 HydrophobicContact CG2-CZ3 4.33Å
354	Y	96.5	Very high	92.9	Very high	6 Å²	6	46.7 Å²	46.7	2%	0.024	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	150.2	-179.3	-60.5	-91.5	0	0	0	110.9	G346 Y347 E393 K394 F400 A401	G346-Y354 CarbonylContact C-O 3.58Å; G346-Y354 WeakPolarHBondContact CA-O 3.2Å; Y347-Y354 HydrophobicContact CE2-CD2 4.1Å; Y347-Y354 HydrophobicContact CE2-CG 4.32Å; Y347-Y354 PolarHBondContact N-O 3.42Å; Y347-Y354 PolarHBondContact O-N 3.1Å; Y354-E393 HydrophobicContact CE2-CB 4.42Å; Y354-E393 PolarHBondContact OH-OE2 2.94Å; Y354-K394 HydrophobicContact CD1-CD 4.39Å; Y354-K394 HydrophobicContact CD1-CG 3.86Å; Y354-K394 HydrophobicContact CE1-CD 4.33Å; Y354-K394 HydrophobicContact CE1-CG 3.77Å; Y354-F400 WeakPolarHBondContact CA-O 3.42Å; Y354-A401 HydrophobicContact CD1-CB 4.24Å; Y354-A401 HydrophobicContact CE1-CB 4.16Å
355	F	96.9	Very high	92.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	132.1	171.1	-167.1	-88.7	0	0	0	110	I340 T357 F360 D399 F400 L402 A459 Q460 A463	I340-F355 HydrophobicContact CG2-CD2 3.92Å; I340-F355 HydrophobicContact CG2-CE2 4Å; F355-T357 HydrophobicContact CD1-CG2 4.06Å; F355-T357 PolarHBondContact O-N 2.68Å; F355-F360 HydrophobicContact CE1-CB 3.63Å; F355-F360 HydrophobicContact CE1-CD1 4.36Å; F355-F360 HydrophobicContact CE1-CD2 4.26Å; F355-F360 AromaticContact CE1-CG 3.85Å; F355-F360 HydrophobicContact CE1-CG 3.85Å; F355-F360 HydrophobicContact CZ-CB 3.9Å; F355-F360 HydrophobicContact CZ-CD1 4.41Å; F355-F360 AromaticContact CZ-CD2 3.66Å; F355-F360 HydrophobicContact CZ-CD2 3.66Å; F355-F360 HydrophobicContact CZ-CE2 4.26Å; F355-F360 AromaticContact CZ-CG 3.74Å; F355-F360 HydrophobicContact CZ-CG 3.74Å; F355-D399 WeakPolarHBondContact O-CB 3.43Å; F355-D399 VanDerWaalsContact O-OD1 3.14Å; F355-F400 HydrophobicContact CB-CD1 4.37Å; F355-F400 HydrophobicContact CB-CD2 3.9Å; F355-F400 HydrophobicContact CB-CE1 3.99Å; F355-F400 HydrophobicContact CB-CE2 3.44Å; F355-F400 VanDerWaalsContact CB-CE2 3.44Å; F355-F400 HydrophobicContact CB-CG 4.34Å; F355-F400 HydrophobicContact CB-CZ 3.51Å; F355-F400 AromaticContact CD1-CE1 3.76Å; F355-F400 HydrophobicContact CD1-CE1 3.76Å; F355-F400 HydrophobicContact CD1-CE2 4.33Å; F355-F400 AromaticContact CD1-CZ 3.53Å; F355-F400 HydrophobicContact CD1-CZ 3.53Å; F355-F400 HydrophobicContact CD2-CE2 4.28Å; F355-F400 HydrophobicContact CD2-CZ 4.09Å; F355-F400 HydrophobicContact CE1-CZ 4.23Å; F355-F400 HydrophobicContact CG-CE1 4.04Å; F355-F400 AromaticContact CG-CE2 3.79Å; F355-F400 HydrophobicContact CG-CE2 3.79Å; F355-F400 AromaticContact CG-CZ 3.43Å; F355-F400 HydrophobicContact CG-CZ 3.43Å; F355-F400 VanDerWaalsContact CG-CZ 3.43Å; F355-F400 PolarHBondContact N-O 3.34Å; F355-L402 HydrophobicContact CB-CD1 4.23Å; F355-L402 HydrophobicContact CB-CD2 3.99Å; F355-L402 HydrophobicContact CB-CG 4.06Å; F355-L402 HydrophobicContact CD2-CD1 4.24Å; F355-L402 HydrophobicContact CD2-CD2 4.18Å; F355-A459 HydrophobicContact CE1-CB 4.02Å; F355-A459 HydrophobicContact CZ-CB 3.87Å; F355-Q460 HydrophobicContact CD2-CG 4.3Å; F355-Q460 HydrophobicContact CE2-CG 4.49Å; F355-A463 HydrophobicContact CE2-CB 3.76Å; F355-A463 HydrophobicContact CZ-CB 4.05Å
356	D	95.4	Very high	91.8	Very high	20 Å²	20	50 Å²	50	11%	0.107	27%	0.273	C	S	.	.			trans	-90.8	90.8	-179.7	-162.7	-42.2	0	0	0	109.8	Y345 Y347 Q358 R359 F360 K395	Y345-D356 PolarHBondContact O-N 2.92Å; Y347-D356 HydrophobicContact CD1-CB 3.9Å; Y347-D356 HydrophobicContact CE1-CB 3.98Å; D356-Q358 VanDerWaalsContact C-N 3.3Å; D356-Q358 PolarHBondContact O-N 3.07Å; D356-R359 HydrophobicContact CB-CB 3.84Å; D356-R359 VanDerWaalsContact CG-CB 3.46Å; D356-R359 PolarHBondContact O-N 2.92Å; D356-R359 VanDerWaalsContact OD1-CB 3.28Å; D356-R359 WeakPolarHBondContact OD1-CB 3.39Å; D356-R359 PolarHBondContact OD1-N 3.05Å; D356-F360 PolarHBondContact O-N 3.41Å; D356-K395 IonicContact OD2-NZ 2.74Å; D356-K395 PolarHBondContact OD2-NZ 3.35Å
357	T	92.8	Very high	91.3	Very high	6 Å²	6	53 Å²	53	4%	0.037	29%	0.292	C	S	.	.	H	α-helix	trans	-63.5	-36.8	-174.5	51.7	0	0	0	0	112.5	F355 F360 D361 Y368 N398 D399 F400	F355-T357 HydrophobicContact CD1-CG2 4.06Å; F355-T357 PolarHBondContact O-N 2.68Å; T357-F360 PolarHBondContact O-N 3.3Å; T357-D361 WeakPolarHBondContact O-CB 3.14Å; T357-D361 PolarHBondContact O-N 2.98Å; T357-Y368 HydrophobicContact CG2-CD1 4.25Å; T357-Y368 HydrophobicContact CG2-CD2 4.36Å; T357-Y368 HydrophobicContact CG2-CE1 3.8Å; T357-Y368 HydrophobicContact CG2-CE2 3.93Å; T357-Y368 HydrophobicContact CG2-CG 4.5Å; T357-N398 HydrophobicContact CG2-CB 4.44Å; T357-N398 WeakPolarHBondContact CG2-O 3.43Å; T357-D399 PolarHBondContact N-OD1 3.17Å; T357-D399 PolarHBondContact OG1-OD1 3.31Å; T357-F400 HydrophobicContact CG2-CD1 4.07Å; T357-F400 HydrophobicContact CG2-CE1 3.81Å
358	Q	91	Very high	90.9	Very high	138 Å²	138	54 Å²	54	65%	0.645	30%	0.296	S	S	*	.	H	α-helix	trans	-69.3	-41.3	178.4	-172.4	178.5	41.8	0	0	111.4	D356 F360 D361 T362	D356-Q358 VanDerWaalsContact C-N 3.3Å; D356-Q358 PolarHBondContact O-N 3.07Å; Q358-F360 VanDerWaalsContact C-N 3.32Å; Q358-F360 PolarHBondContact O-N 3.35Å; Q358-D361 PolarHBondContact O-N 3.48Å; Q358-T362 WeakPolarHBondContact O-CB 3.2Å; Q358-T362 VanDerWaalsContact O-CG2 3.29Å; Q358-T362 WeakPolarHBondContact O-CG2 3.47Å; Q358-T362 PolarHBondContact O-N 2.87Å; Q358-T362 PolarHBondContact O-OG1 2.92Å
359	R	92.4	Very high	90.2	Very high	135 Å²	135	51 Å²	51	51%	0.509	28%	0.281	S	S	.	.	H	α-helix	trans	-64.7	-37.9	176.2	-179.2	55.9	179.1	155	1.6	112.1	G344 Y345 D356 T362 S363	G344-R359 WeakPolarHBondContact O-CG 3.01Å; Y345-R359 HydrophobicContact CD1-CG 4.24Å; D356-R359 HydrophobicContact CB-CB 3.84Å; D356-R359 VanDerWaalsContact CG-CB 3.46Å; D356-R359 PolarHBondContact O-N 2.92Å; D356-R359 VanDerWaalsContact OD1-CB 3.28Å; D356-R359 WeakPolarHBondContact OD1-CB 3.39Å; D356-R359 PolarHBondContact OD1-N 3.05Å; R359-T362 WeakPolarHBondContact CA-OG1 3.39Å; R359-T362 PolarHBondContact O-OG1 2.89Å; R359-S363 PolarHBondContact O-N 2.97Å
360	F	92.6	Very high	89.6	Confident	1 Å²	1	52 Å²	52	0%	0.004	29%	0.285	C	S	.	.	H	α-helix	trans	-64.9	-49.3	175.7	-173.3	-102.5	0	0	0	111.6	Y345 F355 D356 T357 Q358 T362 S363 H366 A459 E462 A463	Y345-F360 HydrophobicContact CD1-CB 3.98Å; Y345-F360 AromaticContact CD1-CD2 3.82Å; Y345-F360 HydrophobicContact CD1-CD2 3.82Å; Y345-F360 HydrophobicContact CD1-CG 4.4Å; Y345-F360 HydrophobicContact CE1-CB 4.38Å; Y345-F360 AromaticContact CE1-CD2 3.97Å; Y345-F360 HydrophobicContact CE1-CD2 3.97Å; Y345-F360 HydrophobicContact CG-CD2 4.2Å; F355-F360 HydrophobicContact CE1-CB 3.63Å; F355-F360 HydrophobicContact CE1-CD1 4.36Å; F355-F360 HydrophobicContact CE1-CD2 4.26Å; F355-F360 AromaticContact CE1-CG 3.85Å; F355-F360 HydrophobicContact CE1-CG 3.85Å; F355-F360 HydrophobicContact CZ-CB 3.9Å; F355-F360 HydrophobicContact CZ-CD1 4.41Å; F355-F360 AromaticContact CZ-CD2 3.66Å; F355-F360 HydrophobicContact CZ-CD2 3.66Å; F355-F360 HydrophobicContact CZ-CE2 4.26Å; F355-F360 AromaticContact CZ-CG 3.74Å; F355-F360 HydrophobicContact CZ-CG 3.74Å; D356-F360 PolarHBondContact O-N 3.41Å; T357-F360 PolarHBondContact O-N 3.3Å; Q358-F360 VanDerWaalsContact C-N 3.32Å; Q358-F360 PolarHBondContact O-N 3.35Å; F360-T362 VanDerWaalsContact C-N 3.3Å; F360-T362 PolarHBondContact O-N 3.27Å; F360-S363 WeakPolarHBondContact O-CB 3.37Å; F360-S363 PolarHBondContact O-N 3.06Å; F360-H366 HydrophobicContact CD1-CB 3.98Å; F360-H366 HydrophobicContact CD2-CB 4.03Å; F360-H366 AromaticContact CD2-CD2 3.95Å; F360-H366 HydrophobicContact CE1-CB 3.6Å; F360-H366 HydrophobicContact CE2-CB 3.63Å; F360-H366 AromaticContact CE2-CD2 3.57Å; F360-H366 AromaticContact CE2-CG 3.38Å; F360-H366 AromaticContact CE2-ND1 3.78Å; F360-H366 HydrophobicContact CG-CB 4.2Å; F360-H366 HydrophobicContact CZ-CB 3.41Å; F360-H366 VanDerWaalsContact CZ-CB 3.41Å; F360-H366 AromaticContact CZ-CG 3.51Å; F360-H366 AromaticContact CZ-ND1 3.75Å; F360-A459 HydrophobicContact CD1-CB 4.09Å; F360-A459 HydrophobicContact CE1-CB 3.71Å; F360-A459 WeakPolarHBondContact CE2-O 3.28Å; F360-A459 HydrophobicContact CZ-CB 4.02Å; F360-E462 HydrophobicContact CE2-CB 4.22Å; F360-E462 HydrophobicContact CZ-CB 3.9Å; F360-A463 HydrophobicContact CD2-CB 4.12Å; F360-A463 HydrophobicContact CE2-CB 3.93Å
361	D	89.6	Confident	89.1	Confident	84 Å²	84	46.7 Å²	46.7	45%	0.449	26%	0.256	S	S	.	.	H	α-helix	trans	-68.3	-26.5	-178.1	-162.9	56.1	0	0	0	113.9	T357 Q358 S363 Y368	T357-D361 WeakPolarHBondContact O-CB 3.14Å; T357-D361 PolarHBondContact O-N 2.98Å; Q358-D361 PolarHBondContact O-N 3.48Å; D361-S363 VanDerWaalsContact C-N 3.29Å; D361-Y368 PolarHBondContact OD1-N 2.83Å
362	T	88.7	Confident	88.4	Confident	92 Å²	92	48.9 Å²	48.9	56%	0.564	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-6.2	173.8	52.6	0	0	0	0	113.6	Q358 R359 F360	Q358-T362 WeakPolarHBondContact O-CB 3.2Å; Q358-T362 VanDerWaalsContact O-CG2 3.29Å; Q358-T362 WeakPolarHBondContact O-CG2 3.47Å; Q358-T362 PolarHBondContact O-N 2.87Å; Q358-T362 PolarHBondContact O-OG1 2.92Å; R359-T362 WeakPolarHBondContact CA-OG1 3.39Å; R359-T362 PolarHBondContact O-OG1 2.89Å; F360-T362 VanDerWaalsContact C-N 3.3Å; F360-T362 PolarHBondContact O-N 3.27Å
363	S	88.4	Confident	86.3	Confident	14 Å²	14	55 Å²	55	10%	0.098	29%	0.293	C	S	.	.	S	Bend	trans	-72	136.3	174.7	-171.5	0	0	0	0	110.1	Y345 R359 F360 D361 Q365 H366	Y345-S363 PolarHBondContact OH-OG 3.41Å; Y345-S363 VanDerWaalsContact OH-OG 3.08Å; R359-S363 PolarHBondContact O-N 2.97Å; F360-S363 WeakPolarHBondContact O-CB 3.37Å; F360-S363 PolarHBondContact O-N 3.06Å; D361-S363 VanDerWaalsContact C-N 3.29Å; S363-Q365 PolarHBondContact O-N 3.49Å; S363-H366 PolarHBondContact O-N 3.25Å
364	P	84.1	Confident	83.6	Confident	134 Å²	134	59.6 Å²	59.6	87%	0.87	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.6	-179.7	26.3	-35	0	0	0	114.3
365	Q	80.6	Confident	80.7	Confident	122 Å²	122	68.3 Å²	68.3	57%	0.57	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-10.1	-175.6	-68.9	174.1	-4.7	0	0	113.7	S363	S363-Q365 PolarHBondContact O-N 3.49Å
366	H	87.4	Confident	77.7	Confident	6 Å²	6	73 Å²	73	3%	0.028	39%	0.387	C	S	.	.			trans	-134.4	159.5	-167.8	-58.3	-57.4	0	0	0	112.1	Y345 F360 S363 E462 N467	Y345-H366 AromaticContact CZ-CD2 3.93Å; F360-H366 HydrophobicContact CD1-CB 3.98Å; F360-H366 HydrophobicContact CD2-CB 4.03Å; F360-H366 AromaticContact CD2-CD2 3.95Å; F360-H366 HydrophobicContact CE1-CB 3.6Å; F360-H366 HydrophobicContact CE2-CB 3.63Å; F360-H366 AromaticContact CE2-CD2 3.57Å; F360-H366 AromaticContact CE2-CG 3.38Å; F360-H366 AromaticContact CE2-ND1 3.78Å; F360-H366 HydrophobicContact CG-CB 4.2Å; F360-H366 HydrophobicContact CZ-CB 3.41Å; F360-H366 VanDerWaalsContact CZ-CB 3.41Å; F360-H366 AromaticContact CZ-CG 3.51Å; F360-H366 AromaticContact CZ-ND1 3.75Å; S363-H366 PolarHBondContact O-N 3.25Å; H366-E462 IonicContact ND1-OE2 2.71Å; H366-E462 PolarHBondContact ND1-OE2 3.21Å; H366-N467 PolarHBondContact CE1-O 3.41Å; H366-N467 PolarHBondContact ND1-O 3.31Å
367	S	85.9	Confident	75	Confident	75 Å²	75	78 Å²	78	52%	0.524	41%	0.414	S	S	.	.			trans	-145.3	135.1	173.6	-60.6	0	0	0	0	109.3
368	Y	87.8	Confident	72.1	Confident	44 Å²	44	83.2 Å²	83.2	17%	0.173	45%	0.445	C	S	.	.	S	Bend	trans	-99.6	149.6	179.5	-174.3	-107.6	0	0	0	111.1	T357 D361 F400 N456 A459	T357-Y368 HydrophobicContact CG2-CD1 4.25Å; T357-Y368 HydrophobicContact CG2-CD2 4.36Å; T357-Y368 HydrophobicContact CG2-CE1 3.8Å; T357-Y368 HydrophobicContact CG2-CE2 3.93Å; T357-Y368 HydrophobicContact CG2-CG 4.5Å; D361-Y368 PolarHBondContact OD1-N 2.83Å; Y368-F400 AromaticContact CE2-CE1 3.89Å; Y368-F400 HydrophobicContact CE2-CE1 3.89Å; Y368-N456 PolarHBondContact OH-OD1 2.67Å; Y368-A459 HydrophobicContact CD2-CB 3.92Å; Y368-A459 HydrophobicContact CE2-CB 4.19Å
369	G	81.6	Confident	69.4	Low	13 Å²	13	84.8 Å²	84.8	13%	0.134	45%	0.45	C	S	.	.			trans	75.8	26.2	177.1	0	0	0	0	0	114.3	F371 I372 D455	G369-F371 PolarHBondContact O-N 3.47Å; G369-I372 WeakPolarHBondContact O-CB 3.46Å; G369-I372 PolarHBondContact O-N 3.14Å; G369-D455 WeakPolarHBondContact CA-OD1 3.48Å; G369-D455 WeakPolarHBondContact CA-OD2 3.33Å; G369-D455 PolarHBondContact N-OD2 2.93Å
370	V	81.2	Confident	66.5	Low	49 Å²	49	83.8 Å²	83.8	30%	0.297	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.5	-177.4	-64.6	0	0	0	0	112.9	L120 D455 L458	L120-V370 HydrophobicContact CD1-CB 3.99Å; L120-V370 HydrophobicContact CD1-CG2 3.61Å; V370-D455 PolarHBondContact N-OD1 2.89Å; V370-L458 HydrophobicContact CG2-CD2 3.73Å
371	F	78.9	Confident	63.8	Low	10 Å²	10	86 Å²	86	4%	0.044	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-12.1	177.2	-68.6	-60.7	0	0	0	115.1	L120 R122 G369 R450 H454 D455 F474	L120-F371 HydrophobicContact CB-CE1 4.19Å; L120-F371 HydrophobicContact CD1-CE1 4.24Å; L120-F371 HydrophobicContact CD1-CZ 4.31Å; R122-F371 VanDerWaalsContact NH2-C 3.31Å; R122-F371 PolarHBondContact NH2-O 3.48Å; G369-F371 PolarHBondContact O-N 3.47Å; F371-R450 HydrophobicContact CB-CG 3.88Å; F371-R450 HydrophobicContact CD1-CG 3.95Å; F371-R450 VanDerWaalsContact CD1-NE 3.31Å; F371-R450 HydrophobicContact CD2-CG 4.29Å; F371-R450 HydrophobicContact CG-CG 3.77Å; F371-H454 HydrophobicContact CE2-CB 4.44Å; F371-D455 HydrophobicContact CD2-CB 4.02Å; F371-D455 WeakPolarHBondContact CD2-OD1 3.47Å; F371-D455 PolarHBondContact N-OD1 2.99Å; F371-F474 HydrophobicContact CE1-CB 4.33Å; F371-F474 HydrophobicContact CE1-CD2 4.36Å; F371-F474 HydrophobicContact CE1-CG 4.28Å; F371-F474 HydrophobicContact CE2-CE1 4.39Å; F371-F474 HydrophobicContact CE2-CE2 4.42Å; F371-F474 HydrophobicContact CE2-CZ 4.32Å; F371-F474 HydrophobicContact CZ-CB 4.15Å; F371-F474 AromaticContact CZ-CD1 3.89Å; F371-F474 HydrophobicContact CZ-CD1 3.89Å; F371-F474 AromaticContact CZ-CD2 3.62Å; F371-F474 HydrophobicContact CZ-CD2 3.62Å; F371-F474 HydrophobicContact CZ-CE1 4.12Å; F371-F474 AromaticContact CZ-CE2 3.82Å; F371-F474 HydrophobicContact CZ-CE2 3.82Å; F371-F474 AromaticContact CZ-CG 3.62Å; F371-F474 HydrophobicContact CZ-CG 3.62Å; F371-F474 HydrophobicContact CZ-CZ 4.07Å
372	I	72.9	Confident	61.3	Low	74 Å²	74	84 Å²	84	38%	0.379	48%	0.482	S	S	.	.			trans	-88.7	129.3	-177.1	-54.1	178.1	0	0	0	110.3	G369 V374 F451	G369-I372 WeakPolarHBondContact O-CB 3.46Å; G369-I372 PolarHBondContact O-N 3.14Å; I372-V374 WeakPolarHBondContact CG2-O 3.31Å; I372-F451 HydrophobicContact CD1-CD2 3.87Å; I372-F451 HydrophobicContact CD1-CE2 3.52Å; I372-F451 HydrophobicContact CD1-CZ 3.87Å; I372-F451 HydrophobicContact CG1-CD2 3.98Å; I372-F451 HydrophobicContact CG1-CE2 4.17Å; I372-F451 HydrophobicContact CG1-CG 4.46Å
373	L	51.5	Low	58.8	Low	133 Å²	133	81.6 Å²	81.6	70%	0.696	47%	0.465	S	S	*	.	S	Bend	trans	-88	-27.7	178.3	-100.1	156.7	0	0	0	113.9
374	V	39	Very low	56.2	Low	96 Å²	96	87.6 Å²	87.6	58%	0.582	50%	0.495	S	S	*	.	S	Bend	trans	-145.8	132.5	-174.5	-170.7	0	0	0	0	105.7	I372 V376	I372-V374 WeakPolarHBondContact CG2-O 3.31Å; V374-V376 HydrophobicContact CB-CG2 3.89Å; V374-V376 HydrophobicContact CG1-CG2 3.57Å; V374-V376 PolarHBondContact O-N 3.48Å
375	F	37.1	Very low	53.9	Low	188 Å²	188	83.7 Å²	83.7	83%	0.825	47%	0.472	S	S	*	.			trans	-63.9	57	171	-123.8	-91.9	0	0	0	110.2	L377	F375-L377 PolarHBondContact O-N 3.15Å
376	V	33.5	Very low	52	Low	98 Å²	98	80.9 Å²	80.9	59%	0.594	46%	0.46	S	S	*	.			trans	-86.2	97.7	172.5	178.9	0	0	0	0	106	V374 V378	V374-V376 HydrophobicContact CB-CG2 3.89Å; V374-V376 HydrophobicContact CG1-CG2 3.57Å; V374-V376 PolarHBondContact O-N 3.48Å; V376-V378 HydrophobicContact CG1-CB 4.03Å; V376-V378 HydrophobicContact CG1-CG2 3.61Å; V376-V378 PolarHBondContact O-N 3.01Å
377	L	37.6	Very low	49.9	Very low	127 Å²	127	82.7 Å²	82.7	67%	0.665	47%	0.473	S	S	*	.			trans	-63.7	71.3	170.6	-149	152	0	0	0	108.9	F375	F375-L377 PolarHBondContact O-N 3.15Å
378	V	31.5	Very low	48	Very low	114 Å²	114	83 Å²	83	69%	0.691	48%	0.48	S	S	*	.			trans	-139.4	98.9	174.5	-176.4	0	0	0	0	111.2	V376	V376-V378 HydrophobicContact CG1-CB 4.03Å; V376-V378 HydrophobicContact CG1-CG2 3.61Å; V376-V378 PolarHBondContact O-N 3.01Å
379	F	35.3	Very low	46	Very low	171 Å²	171	86.7 Å²	86.7	75%	0.75	50%	0.503	S	S	*	.			trans	4	118.9	150.4	-83.3	-101.3	0	0	0	118.3
380	S	30.6	Very low	44.6	Very low	115 Å²	115	87.1 Å²	87.1	80%	0.804	50%	0.5	S	S	*	.				-141.2	121	123	-167.1	0	0	0	0	108.6	G382	S380-G382 PolarHBondContact O-N 3.17Å
381	A	37.2	Very low	43.5	Very low	46 Å²	46	89 Å²	89	38%	0.38	51%	0.508	S	S	.	.			trans	-61.2	102.9	-172.5	0	0	0	0	0	111.8	L384	A381-L384 HydrophobicContact CB-CD2 4.02Å; A381-L384 HydrophobicContact CB-CG 3.97Å
382	G	36.2	Very low	42.8	Very low	43 Å²	43	93.3 Å²	93.3	44%	0.443	54%	0.54	S	S	.	.	S	Bend	trans	-74.3	-16.7	154.1	0	0	0	0	0	112.1	S380	S380-G382 PolarHBondContact O-N 3.17Å
383	D	36.1	Very low	43	Very low	42 Å²	42	91.5 Å²	91.5	23%	0.225	53%	0.529	C	S	.	.			trans	-109.3	70.5	176.3	-152.6	-4.2	0	0	0	108.6	S385 I386 K394	D383-S385 PolarHBondContact O-N 3.18Å; D383-I386 HydrophobicContact CB-CD1 3.75Å; D383-I386 HydrophobicContact CB-CG1 3.69Å; D383-I386 PolarHBondContact O-N 2.96Å; D383-I386 VanDerWaalsContact OD2-CD1 3.29Å; D383-I386 WeakPolarHBondContact OD2-CD1 3.48Å; D383-I386 WeakPolarHBondContact OD2-CG1 3.27Å; D383-K394 IonicContact OD2-NZ 3.46Å
384	L	35.2	Very low	44.7	Very low	139 Å²	139	86.5 Å²	86.5	73%	0.728	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	17.5	-179.1	-88.4	163.1	0	0	0	113.8	A381	A381-L384 HydrophobicContact CB-CD2 4.02Å; A381-L384 HydrophobicContact CB-CG 3.97Å
385	S	34.7	Very low	47	Very low	53 Å²	53	88.7 Å²	88.7	37%	0.371	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.8	37.6	173.4	73.8	0	0	0	0	114.2	D383 S387	D383-S385 PolarHBondContact O-N 3.18Å; S385-S387 VanDerWaalsContact C-N 3.28Å; S385-S387 PolarHBondContact O-N 3.5Å
386	I	40.8	Very low	49.4	Very low	63 Å²	63	81.5 Å²	81.5	32%	0.323	48%	0.477	S	S	.	.			trans	-71	92.6	164.2	-59.5	-179.6	0	0	0	107.9	D383 R390 L391	D383-I386 HydrophobicContact CB-CD1 3.75Å; D383-I386 HydrophobicContact CB-CG1 3.69Å; D383-I386 PolarHBondContact O-N 2.96Å; D383-I386 VanDerWaalsContact OD2-CD1 3.29Å; D383-I386 WeakPolarHBondContact OD2-CD1 3.48Å; D383-I386 WeakPolarHBondContact OD2-CG1 3.27Å; I386-R390 HydrophobicContact CG2-CB 4.17Å; I386-L391 HydrophobicContact CG2-CD1 4.13Å; I386-L391 HydrophobicContact CG2-CD2 4.07Å; I386-L391 HydrophobicContact CG2-CG 3.6Å
387	S	42.8	Very low	51.7	Low	44 Å²	44	82.5 Å²	82.5	31%	0.308	48%	0.475	S	S	.	.			trans	-56.5	145.7	157.2	49	0	0	0	0	108.4	S385 D389 R390	S385-S387 VanDerWaalsContact C-N 3.28Å; S385-S387 PolarHBondContact O-N 3.5Å; S387-D389 PolarHBondContact O-N 2.81Å; S387-R390 PolarHBondContact O-N 3.21Å
388	A	46.1	Very low	53.9	Low	81 Å²	81	80.4 Å²	80.4	67%	0.669	46%	0.464	S	S	*	.	H	α-helix	trans	-49.6	-31.3	177.5	0	0	0	0	0	112.4	R390 L391	A388-R390 VanDerWaalsContact C-N 3.29Å; A388-R390 PolarHBondContact O-N 3.09Å; A388-L391 PolarHBondContact O-N 2.95Å
389	D	45.3	Very low	56.8	Low	122 Å²	122	75 Å²	75	65%	0.652	43%	0.432	S	S	*	.	H	α-helix	trans	-62.6	-23	175.5	-58.8	-28.5	0	0	0	115.2	S387 S392	S387-D389 PolarHBondContact O-N 2.81Å; D389-S392 PolarHBondContact O-OG 3.38Å
390	R	53.4	Low	59.5	Low	21 Å²	21	67.5 Å²	67.5	8%	0.079	40%	0.399	C	S	.	.	H	α-helix	trans	-87.6	-13.9	179.2	-78.4	-173.5	167.6	174.5	-1.7	113.6	I386 S387 A388 S392	I386-R390 HydrophobicContact CG2-CB 4.17Å; S387-R390 PolarHBondContact O-N 3.21Å; A388-R390 VanDerWaalsContact C-N 3.29Å; A388-R390 PolarHBondContact O-N 3.09Å; R390-S392 VanDerWaalsContact C-N 3.34Å
391	L	58.4	Low	62.5	Low	89 Å²	89	62.5 Å²	62.5	47%	0.466	36%	0.364	S	S	.	.	H	α-helix	trans	-73.8	-27.7	175.6	-75.9	161.3	0	0	0	112	I386 A388 E393	I386-L391 HydrophobicContact CG2-CD1 4.13Å; I386-L391 HydrophobicContact CG2-CD2 4.07Å; I386-L391 HydrophobicContact CG2-CG 3.6Å; A388-L391 PolarHBondContact O-N 2.95Å; L391-E393 VanDerWaalsContact C-N 3.32Å
392	S	63.1	Low	65.4	Low	100 Å²	100	60.3 Å²	60.3	70%	0.699	35%	0.346	S	S	*	.	S	Bend	trans	-78.4	-14.8	176.7	57.2	0	0	0	0	113.5	D389 R390	D389-S392 PolarHBondContact O-OG 3.38Å; R390-S392 VanDerWaalsContact C-N 3.34Å
393	E	77.8	Confident	68.2	Low	36 Å²	36	58.2 Å²	58.2	17%	0.168	33%	0.325	C	S	.	.	S	Bend	trans	-84	-19.6	-177.7	-57.6	-174.2	143.9	0	0	113.1	S349 N350 Y354 L391	S349-E393 WeakPolarHBondContact CB-O 3.3Å; S349-E393 PolarHBondContact OG-O 2.68Å; N350-E393 WeakPolarHBondContact CB-OE1 3.37Å; N350-E393 PolarHBondContact ND2-OE1 3.28Å; Y354-E393 HydrophobicContact CE2-CB 4.42Å; Y354-E393 PolarHBondContact OH-OE2 2.94Å; L391-E393 VanDerWaalsContact C-N 3.32Å
394	K	87	Confident	71	Confident	29 Å²	29	57.3 Å²	57.3	13%	0.126	32%	0.319	C	S	.	.			trans	-94.8	140.6	-178.1	-59.1	-179.8	179.5	-170.5	0	110.8	Y347 Y354 D383 S396 D399	Y347-K394 WeakPolarHBondContact OH-CA 3.3Å; Y354-K394 HydrophobicContact CD1-CD 4.39Å; Y354-K394 HydrophobicContact CD1-CG 3.86Å; Y354-K394 HydrophobicContact CE1-CD 4.33Å; Y354-K394 HydrophobicContact CE1-CG 3.77Å; D383-K394 IonicContact OD2-NZ 3.46Å; K394-S396 WeakPolarHBondContact CB-O 3.41Å; K394-D399 HydrophobicContact CB-CB 4.44Å; K394-D399 HydrophobicContact CD-CB 4.46Å; K394-D399 WeakPolarHBondContact CD-O 3.4Å; K394-D399 VanDerWaalsContact CE-O 3.29Å; K394-D399 WeakPolarHBondContact CE-O 3.44Å; K394-D399 PolarHBondContact NZ-O 2.87Å
395	K	87.6	Confident	73.7	Confident	142 Å²	142	52 Å²	52	62%	0.617	30%	0.295	S	S	*	.	S	Bend	trans	-68.6	-39.4	170.8	-65.8	177.8	-171.4	170.5	0	111.8	Y347 D356	Y347-K395 HydrophobicContact CD1-CD 4.06Å; Y347-K395 HydrophobicContact CD2-CD 4.42Å; Y347-K395 HydrophobicContact CD2-CG 4.44Å; Y347-K395 HydrophobicContact CE1-CB 4.42Å; Y347-K395 HydrophobicContact CE1-CD 3.84Å; Y347-K395 HydrophobicContact CE1-CG 4.14Å; Y347-K395 HydrophobicContact CE2-CD 4.23Å; Y347-K395 HydrophobicContact CE2-CG 3.88Å; Y347-K395 HydrophobicContact CG-CD 4.34Å; Y347-K395 PolarHBondContact OH-N 3.46Å; D356-K395 IonicContact OD2-NZ 2.74Å; D356-K395 PolarHBondContact OD2-NZ 3.35Å
396	S	86.4	Confident	76.3	Confident	36 Å²	36	50.9 Å²	50.9	25%	0.252	29%	0.288	S	S	.	.	S	Bend	trans	-128.3	150.3	177.4	179.8	0	0	0	0	111.3	K394 N398 D399	K394-S396 WeakPolarHBondContact CB-O 3.41Å; S396-N398 PolarHBondContact O-N 2.9Å; S396-D399 PolarHBondContact N-OD2 3.46Å; S396-D399 VanDerWaalsContact N-OD2 3.1Å; S396-D399 WeakPolarHBondContact O-CB 3.15Å; S396-D399 PolarHBondContact O-N 2.99Å
397	Q	83.6	Confident	78.6	Confident	120 Å²	120	52.7 Å²	52.7	56%	0.561	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.8	178.2	-170.6	175.1	10.8	0	0	112.6	D399	Q397-D399 VanDerWaalsContact C-N 3.31Å
398	N	83.9	Confident	80.8	Confident	82 Å²	82	55.5 Å²	55.5	44%	0.439	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-12.2	-179.6	-66.4	-17.9	0	0	0	113.1	T357 S396	T357-N398 HydrophobicContact CG2-CB 4.44Å; T357-N398 WeakPolarHBondContact CG2-O 3.43Å; S396-N398 PolarHBondContact O-N 2.9Å
399	D	90.8	Very high	82.7	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.011	28%	0.279	C	S	.	.			trans	-66.2	139.2	179.7	-65.7	-12	0	0	0	110.5	Y347 F355 T357 K394 S396 Q397	Y347-D399 WeakPolarHBondContact CE1-OD2 3.35Å; Y347-D399 PolarHBondContact OH-OD2 2.84Å; F355-D399 WeakPolarHBondContact O-CB 3.43Å; F355-D399 VanDerWaalsContact O-OD1 3.14Å; T357-D399 PolarHBondContact N-OD1 3.17Å; T357-D399 PolarHBondContact OG1-OD1 3.31Å; K394-D399 HydrophobicContact CB-CB 4.44Å; K394-D399 HydrophobicContact CD-CB 4.46Å; K394-D399 WeakPolarHBondContact CD-O 3.4Å; K394-D399 VanDerWaalsContact CE-O 3.29Å; K394-D399 WeakPolarHBondContact CE-O 3.44Å; K394-D399 PolarHBondContact NZ-O 2.87Å; S396-D399 PolarHBondContact N-OD2 3.46Å; S396-D399 VanDerWaalsContact N-OD2 3.1Å; S396-D399 WeakPolarHBondContact O-CB 3.15Å; S396-D399 PolarHBondContact O-N 2.99Å; Q397-D399 VanDerWaalsContact C-N 3.31Å
400	F	93	Very high	84.9	Confident	12 Å²	12	47.3 Å²	47.3	5%	0.053	25%	0.254	C	S	.	.			trans	-121.6	150.8	-178	54.6	-93	0	0	0	111	Y354 F355 T357 Y368 L402 N456 Q460	Y354-F400 WeakPolarHBondContact CA-O 3.42Å; F355-F400 HydrophobicContact CB-CD1 4.37Å; F355-F400 HydrophobicContact CB-CD2 3.9Å; F355-F400 HydrophobicContact CB-CE1 3.99Å; F355-F400 HydrophobicContact CB-CE2 3.44Å; F355-F400 VanDerWaalsContact CB-CE2 3.44Å; F355-F400 HydrophobicContact CB-CG 4.34Å; F355-F400 HydrophobicContact CB-CZ 3.51Å; F355-F400 AromaticContact CD1-CE1 3.76Å; F355-F400 HydrophobicContact CD1-CE1 3.76Å; F355-F400 HydrophobicContact CD1-CE2 4.33Å; F355-F400 AromaticContact CD1-CZ 3.53Å; F355-F400 HydrophobicContact CD1-CZ 3.53Å; F355-F400 HydrophobicContact CD2-CE2 4.28Å; F355-F400 HydrophobicContact CD2-CZ 4.09Å; F355-F400 HydrophobicContact CE1-CZ 4.23Å; F355-F400 HydrophobicContact CG-CE1 4.04Å; F355-F400 AromaticContact CG-CE2 3.79Å; F355-F400 HydrophobicContact CG-CE2 3.79Å; F355-F400 AromaticContact CG-CZ 3.43Å; F355-F400 HydrophobicContact CG-CZ 3.43Å; F355-F400 VanDerWaalsContact CG-CZ 3.43Å; F355-F400 PolarHBondContact N-O 3.34Å; T357-F400 HydrophobicContact CG2-CD1 4.07Å; T357-F400 HydrophobicContact CG2-CE1 3.81Å; Y368-F400 AromaticContact CE2-CE1 3.89Å; Y368-F400 HydrophobicContact CE2-CE1 3.89Å; F400-L402 HydrophobicContact CD2-CD2 4.31Å; F400-L402 HydrophobicContact CE2-CD2 3.9Å; F400-L402 PolarHBondContact O-N 3.32Å; F400-N456 HydrophobicContact CD1-CB 4.36Å; F400-N456 VanDerWaalsContact CD1-CG 3.5Å; F400-N456 WeakPolarHBondContact CD1-ND2 3.41Å; F400-N456 WeakPolarHBondContact CD1-OD1 3.44Å; F400-N456 HydrophobicContact CD2-CB 4.32Å; F400-N456 HydrophobicContact CE1-CB 3.96Å; F400-N456 VanDerWaalsContact CE1-CG 3.41Å; F400-N456 WeakPolarHBondContact CE1-OD1 3.33Å; F400-N456 HydrophobicContact CE2-CB 3.93Å; F400-N456 WeakPolarHBondContact CG-ND2 3.44Å; F400-N456 HydrophobicContact CZ-CB 3.72Å; F400-Q460 HydrophobicContact CE2-CG 3.83Å; F400-Q460 VanDerWaalsContact CE2-NE2 3.33Å; F400-Q460 HydrophobicContact CZ-CG 4.21Å
401	A	94.2	Very high	86.7	Confident	10 Å²	10	46.4 Å²	46.4	8%	0.083	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.4	-177.6	0	0	0	0	0	110.7	Y354 K404	Y354-A401 HydrophobicContact CD1-CB 4.24Å; Y354-A401 HydrophobicContact CE1-CB 4.16Å; A401-K404 HydrophobicContact CB-CG 3.81Å
402	L	96.3	Very high	88.4	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-40.8	166.2	-60.2	-179.8	0	0	0	110.2	V337 I340 V353 F355 F400 G423 I426 Q460	V337-L402 HydrophobicContact CG1-CB 3.93Å; V337-L402 HydrophobicContact CG1-CD1 4.19Å; V337-L402 HydrophobicContact CG2-CB 3.85Å; I340-L402 HydrophobicContact CB-CD1 4.38Å; I340-L402 HydrophobicContact CD1-CD1 4.29Å; I340-L402 HydrophobicContact CD1-CD2 4.49Å; I340-L402 HydrophobicContact CG2-CD1 3.8Å; V353-L402 HydrophobicContact CB-CB 4.4Å; V353-L402 HydrophobicContact CG1-CB 4.36Å; V353-L402 HydrophobicContact CG1-CD1 4.22Å; V353-L402 PolarHBondContact O-N 3.04Å; F355-L402 HydrophobicContact CB-CD1 4.23Å; F355-L402 HydrophobicContact CB-CD2 3.99Å; F355-L402 HydrophobicContact CB-CG 4.06Å; F355-L402 HydrophobicContact CD2-CD1 4.24Å; F355-L402 HydrophobicContact CD2-CD2 4.18Å; F400-L402 HydrophobicContact CD2-CD2 4.31Å; F400-L402 HydrophobicContact CE2-CD2 3.9Å; F400-L402 PolarHBondContact O-N 3.32Å; L402-G423 PolarHBondContact O-N 2.89Å; L402-I426 HydrophobicContact CD2-CB 4.5Å; L402-I426 HydrophobicContact CD2-CD1 4.1Å; L402-I426 WeakPolarHBondContact O-CG2 3.24Å; L402-Q460 HydrophobicContact CD2-CG 3.83Å; L402-Q460 VanDerWaalsContact CD2-NE2 3.27Å
403	W	96.3	Very high	89.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	131.1	177.5	-171.5	-99.1	0	0	0	109.3	V330 V334 S352 V353 W413 S415 W417 G420	V330-W403 HydrophobicContact CG1-CH2 3.91Å; V330-W403 HydrophobicContact CG1-CZ3 4.16Å; V334-W403 HydrophobicContact CG2-CE3 4.23Å; V334-W403 HydrophobicContact CG2-CH2 3.63Å; V334-W403 HydrophobicContact CG2-CZ2 4.39Å; V334-W403 HydrophobicContact CG2-CZ3 3.54Å; S352-W403 CarbonylContact C-O 3.47Å; S352-W403 WeakPolarHBondContact CA-O 3.34Å; S352-W403 WeakPolarHBondContact CB-O 3.46Å; V353-W403 HydrophobicContact CB-CB 3.97Å; V353-W403 HydrophobicContact CG2-CB 3.99Å; V353-W403 PolarHBondContact N-O 3.5Å; V353-W403 PolarHBondContact O-N 3.07Å; V353-W403 VanDerWaalsContact O-N 3.14Å; W403-W413 HydrophobicContact CH2-CB 4.18Å; W403-S415 PolarHBondContact NE1-OG 2.82Å; W403-W417 HydrophobicContact CB-CE3 4.34Å; W403-W417 HydrophobicContact CB-CZ3 4.5Å; W403-W417 HydrophobicContact CD2-CE3 4.5Å; W403-W417 HydrophobicContact CG-CE3 4.07Å; W403-W417 HydrophobicContact CG-CZ3 4.39Å; W403-G420 WeakPolarHBondContact CZ2-O 3.45Å
404	K	93.5	Very high	90.7	Very high	23 Å²	23	46 Å²	46	10%	0.1	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.9	179.5	-66.2	177.1	175.3	176.4	0	109	D185 A401 S406 G420 R421	D185-K404 IonicContact OD2-NZ 3.72Å; D185-K404 PolarHBondContact OD2-NZ 2.92Å; A401-K404 HydrophobicContact CB-CG 3.81Å; K404-S406 PolarHBondContact O-N 2.65Å; K404-G420 CarbonylContact O-C 3.35Å; K404-G420 WeakPolarHBondContact O-CA 3.48Å; K404-R421 HydrophobicContact CB-CG 4.13Å; K404-R421 PolarHBondContact N-O 3.39Å; K404-R421 PolarHBondContact O-N 3.04Å
405	A	93.2	Very high	91.1	Very high	27 Å²	27	45.7 Å²	45.7	22%	0.223	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	132.2	167.5	0	0	0	0	0	109.8	S352	S352-A405 PolarHBondContact OG-N 3.04Å
406	S	89.4	Confident	91.5	Very high	30 Å²	30	43.3 Å²	43.3	21%	0.21	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-80	135.2	-178.2	-71.6	0	0	0	0	110.5	K404 P411 K419 G420	K404-S406 PolarHBondContact O-N 2.65Å; S406-P411 PolarHBondContact OG-O 3.45Å; S406-K419 PolarHBondContact N-O 3.35Å; S406-K419 VanDerWaalsContact N-O 3.17Å; S406-G420 VanDerWaalsContact OG-C 3.29Å; S406-G420 VanDerWaalsContact OG-CA 3.28Å; S406-G420 WeakPolarHBondContact OG-CA 3.29Å
407	K	88.2	Confident	92	Very high	101 Å²	101	43.5 Å²	43.5	44%	0.439	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-85.6	160.1	171.9	-62.5	179	-179.9	-179.2	0	110	G409 E410	K407-G409 PolarHBondContact O-N 2.74Å; K407-E410 HydrophobicContact CB-CG 4.27Å; K407-E410 PolarHBondContact N-OE2 2.89Å; K407-E410 WeakPolarHBondContact O-CB 3.38Å; K407-E410 PolarHBondContact O-N 2.82Å; K407-E410 VanDerWaalsContact O-N 3.11Å
408	P	88.6	Confident	92.5	Very high	103 Å²	103	39.6 Å²	39.6	67%	0.669	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	132.6	168	-26.2	35.4	0	0	0	110.9
409	G	87.7	Confident	93	Very high	1 Å²	1	42 Å²	42	1%	0.01	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	2	-176.5	0	0	0	0	0	115.9	R192 G288 S289 V291 F297 K407	R192-G409 WeakPolarHBondContact CD-O 3.45Å; R192-G409 PolarHBondContact NH1-O 2.99Å; G288-G409 WeakPolarHBondContact O-CA 3.03Å; S289-G409 PolarHBondContact O-N 2.94Å; V291-G409 CarbonylContact O-C 3.6Å; V291-G409 WeakPolarHBondContact O-CA 3.2Å; F297-G409 WeakPolarHBondContact CZ-O 3.47Å; K407-G409 PolarHBondContact O-N 2.74Å
410	E	90.1	Very high	93.1	Very high	29 Å²	29	41.9 Å²	41.9	14%	0.136	23%	0.234	C	C	.	.	S	Bend	trans	-110	150.7	176.8	-60.3	-178.4	148.1	0	0	110.7	I188 K407 R421	I188-E410 HydrophobicContact CG2-CB 4.35Å; I188-E410 HydrophobicContact CG2-CG 4.16Å; K407-E410 HydrophobicContact CB-CG 4.27Å; K407-E410 PolarHBondContact N-OE2 2.89Å; K407-E410 WeakPolarHBondContact O-CB 3.38Å; K407-E410 PolarHBondContact O-N 2.82Å; K407-E410 VanDerWaalsContact O-N 3.11Å; E410-R421 VanDerWaalsContact CD-NH2 3.32Å; E410-R421 IonicContact OE1-CZ 3.12Å; E410-R421 IonicContact OE1-NH1 2.66Å; E410-R421 IonicContact OE1-NH2 3.86Å; E410-R421 PolarHBondContact OE1-NH2 3.28Å; E410-R421 IonicContact OE2-CZ 3.85Å; E410-R421 VanDerWaalsContact OE2-CZ 3.23Å; E410-R421 IonicContact OE2-NH1 3.93Å; E410-R421 PolarHBondContact OE2-NH1 3.35Å; E410-R421 IonicContact OE2-NH2 3.55Å; E410-R421 PolarHBondContact OE2-NH2 3.46Å
411	P	91.7	Very high	93.2	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.019	23%	0.232	C	C	.	.			trans	-62.8	150.4	170.6	29.5	-35.5	0	0	0	110.2	I188 N294 F297 S406 W413	I188-P411 HydrophobicContact CD1-CG 3.73Å; I188-P411 HydrophobicContact CG1-CG 3.67Å; N294-P411 VanDerWaalsContact OD1-CA 3.24Å; N294-P411 WeakPolarHBondContact OD1-CA 3.22Å; N294-P411 WeakPolarHBondContact OD1-CB 3.3Å; F297-P411 HydrophobicContact CB-CB 4.33Å; F297-P411 HydrophobicContact CB-CG 4.32Å; F297-P411 HydrophobicContact CD1-CG 4.38Å; F297-P411 HydrophobicContact CD2-CB 3.75Å; F297-P411 HydrophobicContact CD2-CG 4.15Å; F297-P411 HydrophobicContact CE2-CB 4.26Å; F297-P411 HydrophobicContact CG-CB 4.05Å; F297-P411 HydrophobicContact CG-CG 4.02Å; S406-P411 PolarHBondContact OG-O 3.45Å; P411-W413 HydrophobicContact CB-CH2 3.76Å; P411-W413 HydrophobicContact CB-CZ3 3.81Å; P411-W413 HydrophobicContact CG-CH2 4.19Å; P411-W413 HydrophobicContact CG-CZ3 4.13Å
412	S	93.1	Very high	93.3	Very high	31 Å²	31	41.2 Å²	41.2	22%	0.217	23%	0.23	C	C	.	.			trans	-146.5	149.9	-178	65.6	0	0	0	0	112.9	N294 G420	N294-S412 PolarHBondContact ND2-O 3.43Å; N294-S412 PolarHBondContact OD1-N 3.31Å; N294-S412 VanDerWaalsContact OD1-N 3.13Å; S412-G420 WeakPolarHBondContact CA-O 3.1Å
413	W	94.9	Very high	93	Very high	59 Å²	59	41.3 Å²	41.3	22%	0.223	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-129.2	151	174.9	-66.3	-100.5	0	0	0	109.4	I183 V330 W403 P411 K419 G420 R421	I183-W413 HydrophobicContact CD1-CH2 3.29Å; I183-W413 HydrophobicContact CD1-CZ2 3.57Å; I183-W413 HydrophobicContact CD1-CZ3 3.91Å; I183-W413 HydrophobicContact CG1-CH2 3.84Å; I183-W413 HydrophobicContact CG1-CZ2 4.38Å; I183-W413 HydrophobicContact CG2-CH2 4.34Å; I183-W413 HydrophobicContact CG2-CZ3 4.33Å; V330-W413 HydrophobicContact CB-CG 4.4Å; V330-W413 HydrophobicContact CG1-CB 3.78Å; V330-W413 HydrophobicContact CG1-CD2 4.3Å; V330-W413 HydrophobicContact CG1-CG 3.72Å; V330-W413 HydrophobicContact CG2-CD2 4.26Å; V330-W413 HydrophobicContact CG2-CG 4.34Å; W403-W413 HydrophobicContact CH2-CB 4.18Å; P411-W413 HydrophobicContact CB-CH2 3.76Å; P411-W413 HydrophobicContact CB-CZ3 3.81Å; P411-W413 HydrophobicContact CG-CH2 4.19Å; P411-W413 HydrophobicContact CG-CZ3 4.13Å; W413-K419 WeakPolarHBondContact O-CA 3.38Å; W413-G420 PolarHBondContact N-O 2.79Å; W413-G420 PolarHBondContact O-N 3.22Å; W413-R421 HydrophobicContact CE3-CB 4.15Å; W413-R421 HydrophobicContact CZ3-CB 3.99Å
414	D	95	Very high	92.7	Very high	127 Å²	127	44.1 Å²	44.1	68%	0.679	24%	0.241	S	C	*	.			trans	-72.4	138.7	177	-65.4	-40.8	0	0	0	110.5	K419	D414-K419 VanDerWaalsContact OD1-CE 3.27Å; D414-K419 WeakPolarHBondContact OD1-CE 3.25Å
415	S	96.1	Very high	92.7	Very high	22 Å²	22	43.9 Å²	43.9	15%	0.154	24%	0.24	C	C	.	.			trans	-148.5	165.5	176.4	83.3	0	0	0	0	110.7	W403 W417 G418	W403-S415 PolarHBondContact NE1-OG 2.82Å; S415-W417 PolarHBondContact O-N 2.77Å; S415-W417 PolarHBondContact OG-N 3.38Å; S415-G418 PolarHBondContact N-O 2.86Å; S415-G418 PolarHBondContact O-N 2.85Å; S415-G418 PolarHBondContact OG-O 2.85Å
416	P	96.1	Very high	92.8	Very high	91 Å²	91	42.6 Å²	42.6	59%	0.591	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-17.8	174.8	-25.6	35.5	0	0	0	114.7	V334	V334-P416 VanDerWaalsContact CG1-CD 3.45Å; V334-P416 HydrophobicContact CG1-CG 4.22Å
417	W	95.4	Very high	93.2	Very high	41 Å²	41	41.2 Å²	41.2	16%	0.155	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	9	-178.5	-44.1	-72.1	0	0	0	112.9	V334 V337 R338 V341 V348 V353 W403 S415	V334-W417 HydrophobicContact CG1-CH2 4.47Å; V334-W417 HydrophobicContact CG1-CZ3 4.2Å; V337-W417 HydrophobicContact CB-CH2 3.54Å; V337-W417 HydrophobicContact CB-CZ2 4.4Å; V337-W417 HydrophobicContact CB-CZ3 3.98Å; V337-W417 HydrophobicContact CG1-CH2 3.3Å; V337-W417 HydrophobicContact CG1-CZ2 3.81Å; V337-W417 HydrophobicContact CG1-CZ3 3.72Å; R338-W417 HydrophobicContact CB-CH2 4.24Å; R338-W417 HydrophobicContact CB-CZ2 4.27Å; V341-W417 HydrophobicContact CG2-CZ2 4.5Å; V348-W417 HydrophobicContact CG2-CG 4.34Å; V353-W417 HydrophobicContact CG2-CB 4.2Å; V353-W417 HydrophobicContact CG2-CD2 3.35Å; V353-W417 HydrophobicContact CG2-CE3 3.71Å; V353-W417 HydrophobicContact CG2-CG 3.55Å; V353-W417 HydrophobicContact CG2-CZ2 4.29Å; V353-W417 HydrophobicContact CG2-CZ3 4.33Å; W403-W417 HydrophobicContact CB-CE3 4.34Å; W403-W417 HydrophobicContact CB-CZ3 4.5Å; W403-W417 HydrophobicContact CD2-CE3 4.5Å; W403-W417 HydrophobicContact CG-CE3 4.07Å; W403-W417 HydrophobicContact CG-CZ3 4.39Å; S415-W417 PolarHBondContact O-N 2.77Å; S415-W417 PolarHBondContact OG-N 3.38Å
418	G	94.4	Very high	93.6	Very high	37 Å²	37	36.4 Å²	36.4	38%	0.381	20%	0.199	S	C	.	.	S	Bend	trans	100.7	-173.7	-174.6	0	0	0	0	0	112.8	S415 G420	S415-G418 PolarHBondContact N-O 2.86Å; S415-G418 PolarHBondContact O-N 2.85Å; S415-G418 PolarHBondContact OG-O 2.85Å; G418-G420 PolarHBondContact O-N 2.89Å
419	K	94.6	Very high	94	Very high	132 Å²	132	31.5 Å²	31.5	57%	0.574	17%	0.167	S	C	*	.	S	Bend	trans	-71.6	128.8	-179.2	-73.2	-166.3	175.2	-166.9	0	111.3	S406 W413 D414	S406-K419 PolarHBondContact N-O 3.35Å; S406-K419 VanDerWaalsContact N-O 3.17Å; W413-K419 WeakPolarHBondContact O-CA 3.38Å; D414-K419 VanDerWaalsContact OD1-CE 3.27Å; D414-K419 WeakPolarHBondContact OD1-CE 3.25Å
420	G	94.1	Very high	94.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	-163.9	-179	0	0	0	0	0	113.6	W403 K404 S406 S412 W413 G418	W403-G420 WeakPolarHBondContact CZ2-O 3.45Å; K404-G420 CarbonylContact O-C 3.35Å; K404-G420 WeakPolarHBondContact O-CA 3.48Å; S406-G420 VanDerWaalsContact OG-C 3.29Å; S406-G420 VanDerWaalsContact OG-CA 3.28Å; S406-G420 WeakPolarHBondContact OG-CA 3.29Å; S412-G420 WeakPolarHBondContact CA-O 3.1Å; W413-G420 PolarHBondContact N-O 2.79Å; W413-G420 PolarHBondContact O-N 3.22Å; G418-G420 PolarHBondContact O-N 2.89Å
421	R	94.5	Very high	94.9	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.015	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	158.6	178.2	70.3	-177.5	177.7	-76.9	18.5	110.3	D185 K404 E410 W413	D185-R421 IonicContact OD1-CZ 3.07Å; D185-R421 IonicContact OD1-NE 2.97Å; D185-R421 PolarHBondContact OD1-NE 3.27Å; D185-R421 IonicContact OD1-NH2 3.25Å; D185-R421 PolarHBondContact OD1-NH2 2.96Å; K404-R421 HydrophobicContact CB-CG 4.13Å; K404-R421 PolarHBondContact N-O 3.39Å; K404-R421 PolarHBondContact O-N 3.04Å; E410-R421 VanDerWaalsContact CD-NH2 3.32Å; E410-R421 IonicContact OE1-CZ 3.12Å; E410-R421 IonicContact OE1-NH1 2.66Å; E410-R421 IonicContact OE1-NH2 3.86Å; E410-R421 PolarHBondContact OE1-NH2 3.28Å; E410-R421 IonicContact OE2-CZ 3.85Å; E410-R421 VanDerWaalsContact OE2-CZ 3.23Å; E410-R421 IonicContact OE2-NH1 3.93Å; E410-R421 PolarHBondContact OE2-NH1 3.35Å; E410-R421 IonicContact OE2-NH2 3.55Å; E410-R421 PolarHBondContact OE2-NH2 3.46Å; W413-R421 HydrophobicContact CE3-CB 4.15Å; W413-R421 HydrophobicContact CZ3-CB 3.99Å
422	P	95.6	Very high	95.2	Very high	5 Å²	5	30 Å²	30	3%	0.032	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	152.6	175.7	26.9	-36.2	0	0	0	112.7	I183 V326 I333 I426 E427	I183-P422 HydrophobicContact CD1-CG 4.47Å; I183-P422 HydrophobicContact CG2-CG 4.34Å; V326-P422 HydrophobicContact CG1-CG 3.79Å; I333-P422 HydrophobicContact CD1-CB 4.15Å; I333-P422 HydrophobicContact CD1-CG 4.37Å; I333-P422 HydrophobicContact CG2-CB 3.97Å; P422-I426 HydrophobicContact CB-CG2 3.98Å; P422-E427 HydrophobicContact CB-CG 4.05Å; P422-E427 HydrophobicContact CG-CG 4.33Å
423	G	91.4	Very high	95.4	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.01	15%	0.153	C	C	.	.			trans	-83.3	148.8	163.3	0	0	0	0	0	111.4	L402 H425 I426	L402-G423 PolarHBondContact O-N 2.89Å; G423-H425 VanDerWaalsContact C-N 3.25Å; G423-H425 PolarHBondContact O-N 2.78Å; G423-I426 WeakPolarHBondContact O-CG2 3.31Å; G423-I426 PolarHBondContact O-N 2.9Å; G423-I426 VanDerWaalsContact O-N 3.1Å
424	W	88.6	Confident	95.5	Very high	60 Å²	60	29 Å²	29	23%	0.227	16%	0.163	C	C	.	.	H	α-helix	trans	-48.2	-40.8	-172.6	179.1	31.7	0	0	0	115.1	E427 L449 H453	W424-E427 WeakPolarHBondContact CA-OE1 3.45Å; W424-L449 HydrophobicContact CH2-CD2 4.06Å; W424-L449 HydrophobicContact CZ2-CD2 3.78Å; W424-H453 AromaticContact CD1-CE1 3.78Å; W424-H453 AromaticContact CD2-ND1 3.65Å; W424-H453 AromaticContact CE2-CE1 3.61Å; W424-H453 AromaticContact CE2-ND1 3.42Å; W424-H453 HydrophobicContact CH2-CB 4.08Å; W424-H453 HydrophobicContact CZ2-CB 4.29Å; W424-H453 AromaticContact CZ2-CG 3.94Å; W424-H453 AromaticContact CZ2-ND1 3.7Å; W424-H453 HydrophobicContact CZ3-CB 4.42Å; W424-H453 AromaticContact NE1-CE1 3.38Å; W424-H453 PolarHBondContact NE1-CE1 3.04Å; W424-H453 AromaticContact NE1-ND1 3.69Å
425	H	93.4	Very high	95.6	Very high	17 Å²	17	26 Å²	26	8%	0.079	15%	0.146	C	C	.	.	H	α-helix	trans	-74.8	-37.6	-175.7	-49.7	-59.4	0	0	0	113.3	G423 E427 C428 H453 N456 Q460	G423-H425 VanDerWaalsContact C-N 3.25Å; G423-H425 PolarHBondContact O-N 2.78Å; H425-E427 PolarHBondContact O-N 2.88Å; H425-C428 PolarHBondContact O-N 3.14Å; H425-H453 AromaticContact CE1-ND1 3.92Å; H425-H453 WeakPolarHBondContact ND1-CA 3.39Å; H425-H453 AromaticContact ND1-CG 3.84Å; H425-H453 AromaticContact ND1-ND1 3.14Å; H425-H453 PolarHBondContact ND1-ND1 3.07Å; H425-H453 VanDerWaalsContact ND1-ND1 3.14Å; H425-N456 HydrophobicContact CB-CB 3.83Å; H425-N456 PolarHBondContact CD2-ND2 2.97Å; H425-N456 PolarHBondContact NE2-ND2 2.79Å; H425-N456 VanDerWaalsContact NE2-ND2 3.14Å; H425-Q460 PolarHBondContact O-OE1 3.45Å
426	I	96.9	Very high	95.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-68.3	-23.6	-172.1	-165	60.3	0	0	0	112.6	I333 F336 V337 I340 L402 P422 G423 A430 Q460	I333-I426 HydrophobicContact CG2-CB 4.48Å; I333-I426 HydrophobicContact CG2-CG1 4.04Å; I333-I426 HydrophobicContact CG2-CG2 3.64Å; F336-I426 HydrophobicContact CD1-CD1 3.56Å; F336-I426 HydrophobicContact CE1-CD1 4Å; F336-I426 HydrophobicContact CG-CD1 4.42Å; V337-I426 HydrophobicContact CG2-CD1 4.28Å; V337-I426 HydrophobicContact CG2-CG1 3.7Å; I340-I426 HydrophobicContact CD1-CD1 3.85Å; L402-I426 HydrophobicContact CD2-CB 4.5Å; L402-I426 HydrophobicContact CD2-CD1 4.1Å; L402-I426 WeakPolarHBondContact O-CG2 3.24Å; P422-I426 HydrophobicContact CB-CG2 3.98Å; G423-I426 WeakPolarHBondContact O-CG2 3.31Å; G423-I426 PolarHBondContact O-N 2.9Å; G423-I426 VanDerWaalsContact O-N 3.1Å; I426-A430 WeakPolarHBondContact O-CB 3.5Å; I426-A430 PolarHBondContact O-N 3.46Å; I426-Q460 VanDerWaalsContact CA-OE1 3.32Å; I426-Q460 HydrophobicContact CD1-CB 4.16Å; I426-Q460 HydrophobicContact CD1-CG 4.03Å
427	E	96.3	Very high	95.6	Very high	2 Å²	2	23 Å²	23	1%	0.009	13%	0.129	C	C	.	.	H	α-helix	trans	-56.8	-56.5	179.4	-56.7	170.7	-168.3	0	0	110.5	T181 V326 I333 P422 W424 H425 A430 M431	T181-E427 WeakPolarHBondContact CG2-OE2 3.13Å; V326-E427 HydrophobicContact CB-CG 4.49Å; V326-E427 HydrophobicContact CG1-CB 4.08Å; V326-E427 HydrophobicContact CG1-CG 3.55Å; V326-E427 HydrophobicContact CG2-CB 3.97Å; V326-E427 HydrophobicContact CG2-CG 4.06Å; V326-E427 VanDerWaalsContact CG2-OE2 3.26Å; V326-E427 WeakPolarHBondContact CG2-OE2 3.38Å; I333-E427 HydrophobicContact CD1-CG 4.48Å; P422-E427 HydrophobicContact CB-CG 4.05Å; P422-E427 HydrophobicContact CG-CG 4.33Å; W424-E427 WeakPolarHBondContact CA-OE1 3.45Å; H425-E427 PolarHBondContact O-N 2.88Å; E427-A430 PolarHBondContact O-N 3.46Å; E427-M431 VanDerWaalsContact C-CE 3.49Å; E427-M431 HydrophobicContact CB-CE 3.93Å; E427-M431 WeakPolarHBondContact O-CB 2.98Å; E427-M431 VanDerWaalsContact O-CE 3.25Å; E427-M431 WeakPolarHBondContact O-CE 3.38Å; E427-M431 WeakPolarHBondContact O-CG 3.23Å; E427-M431 PolarHBondContact O-N 2.83Å
428	C	96.9	Very high	95.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.5	-42.6	-177.3	-67.1	0	0	0	0	111.7	Y138 H425 A430 M431 A432 E457	Y138-C428 HydrophobicContact CE1-CB 3.99Å; Y138-C428 WeakPolarHBondContact OH-CA 3.23Å; Y138-C428 PolarHBondContact OH-SG 3.37Å; H425-C428 PolarHBondContact O-N 3.14Å; C428-A430 PolarHBondContact O-N 2.91Å; C428-M431 PolarHBondContact O-N 2.89Å; C428-A432 WeakPolarHBondContact O-CB 3.39Å; C428-A432 PolarHBondContact O-N 3Å; C428-E457 HydrophobicContact CB-CG 4.06Å; C428-E457 WeakPolarHBondContact CB-OE2 3.48Å
429	S	97.9	Very high	95.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-55.7	-48.9	175.3	-61	0	0	0	0	112.5	G433 E457 Q460 S461	S429-G433 WeakPolarHBondContact O-CA 3.41Å; S429-G433 PolarHBondContact O-N 3.12Å; S429-E457 VanDerWaalsContact OG-CA 3.23Å; S429-E457 WeakPolarHBondContact OG-CA 3.43Å; S429-E457 PolarHBondContact OG-O 3.14Å; S429-Q460 PolarHBondContact OG-OE1 3.49Å; S429-S461 WeakPolarHBondContact CB-OG 3.36Å; S429-S461 PolarHBondContact OG-OG 3.39Å
430	A	98	Very high	95.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-70.2	-45.1	-178.3	0	0	0	0	0	112.2	I333 F336 I426 E427 C428 S434	I333-A430 HydrophobicContact CB-CB 4.26Å; I333-A430 HydrophobicContact CG1-CB 3.57Å; F336-A430 HydrophobicContact CB-CB 3.99Å; F336-A430 HydrophobicContact CD2-CB 3.92Å; F336-A430 HydrophobicContact CG-CB 4.01Å; I426-A430 WeakPolarHBondContact O-CB 3.5Å; I426-A430 PolarHBondContact O-N 3.46Å; E427-A430 PolarHBondContact O-N 3.46Å; C428-A430 PolarHBondContact O-N 2.91Å; A430-S434 VanDerWaalsContact O-CB 3.26Å; A430-S434 WeakPolarHBondContact O-CB 3.23Å; A430-S434 PolarHBondContact O-N 2.93Å; A430-S434 PolarHBondContact O-OG 3.05Å
431	M	98.1	Very high	96.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.9	-50.6	178.8	-71.8	-175.8	-69.7	0	0	111.4	N179 T324 V326 Y329 E427 C428 S434 I435	N179-M431 HydrophobicContact CB-CE 3.39Å; N179-M431 HydrophobicContact CB-SD 3.97Å; T324-M431 VanDerWaalsContact CB-SD 3.55Å; T324-M431 PolarHBondContact OG1-SD 3.49Å; V326-M431 HydrophobicContact CG2-CE 3.9Å; V326-M431 HydrophobicContact CG2-SD 4.46Å; Y329-M431 HydrophobicContact CD1-CG 4.01Å; Y329-M431 HydrophobicContact CD2-CG 4.14Å; Y329-M431 HydrophobicContact CD2-SD 4.33Å; Y329-M431 HydrophobicContact CG-CG 3.71Å; Y329-M431 HydrophobicContact CG-SD 4.43Å; E427-M431 VanDerWaalsContact C-CE 3.49Å; E427-M431 HydrophobicContact CB-CE 3.93Å; E427-M431 WeakPolarHBondContact O-CB 2.98Å; E427-M431 VanDerWaalsContact O-CE 3.25Å; E427-M431 WeakPolarHBondContact O-CE 3.38Å; E427-M431 WeakPolarHBondContact O-CG 3.23Å; E427-M431 PolarHBondContact O-N 2.83Å; C428-M431 PolarHBondContact O-N 2.89Å; M431-S434 PolarHBondContact O-N 2.97Å; M431-I435 WeakPolarHBondContact O-CG1 3.47Å; M431-I435 PolarHBondContact O-N 2.98Å
432	A	97.8	Very high	96.3	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.3	-42.8	179.1	0	0	0	0	0	111.6	Y138 C428 S434 I435 L436 M440 W470	Y138-A432 HydrophobicContact CD1-CB 3.98Å; Y138-A432 HydrophobicContact CD2-CB 3.45Å; Y138-A432 VanDerWaalsContact CD2-CB 3.45Å; Y138-A432 HydrophobicContact CE1-CB 4.12Å; Y138-A432 HydrophobicContact CE2-CB 3.63Å; Y138-A432 HydrophobicContact CG-CB 3.62Å; C428-A432 WeakPolarHBondContact O-CB 3.39Å; C428-A432 PolarHBondContact O-N 3Å; A432-S434 VanDerWaalsContact C-N 3.32Å; A432-S434 PolarHBondContact O-N 2.89Å; A432-I435 PolarHBondContact O-N 2.97Å; A432-L436 WeakPolarHBondContact O-CB 2.97Å; A432-L436 PolarHBondContact O-N 2.92Å; A432-M440 HydrophobicContact CB-CE 3.93Å; A432-W470 HydrophobicContact CB-CH2 4.22Å; A432-W470 HydrophobicContact CB-CZ2 3.8Å
433	G	96.9	Very high	96.4	Very high	7 Å²	7	19.8 Å²	19.8	7%	0.072	11%	0.111	C	C	.	.	H	α-helix	trans	-63.1	-34.9	175.7	0	0	0	0	0	113.3	S429 G437	S429-G433 WeakPolarHBondContact O-CA 3.41Å; S429-G433 PolarHBondContact O-N 3.12Å; G433-G437 WeakPolarHBondContact O-CA 3.11Å; G433-G437 PolarHBondContact O-N 3.14Å
434	S	97.2	Very high	96.7	Very high	63 Å²	63	19.8 Å²	19.8	44%	0.441	11%	0.11	S	C	.	.	H	α-helix	trans	-69.5	-34.5	177.3	-61.6	0	0	0	0	112.7	A430 M431 A432	A430-S434 VanDerWaalsContact O-CB 3.26Å; A430-S434 WeakPolarHBondContact O-CB 3.23Å; A430-S434 PolarHBondContact O-N 2.93Å; A430-S434 PolarHBondContact O-OG 3.05Å; M431-S434 PolarHBondContact O-N 2.97Å; A432-S434 VanDerWaalsContact C-N 3.32Å; A432-S434 PolarHBondContact O-N 2.89Å
435	I	97.3	Very high	97	Very high	63 Å²	63	17 Å²	17	32%	0.323	10%	0.1	S	C	.	.	H	α-helix	trans	-90.5	-44.3	-177	-60.1	-59.4	0	0	0	112.5	V322 T324 M431 A432	V322-I435 HydrophobicContact CG1-CD1 4.32Å; V322-I435 HydrophobicContact CG1-CG1 4.39Å; V322-I435 HydrophobicContact CG1-CG2 4.34Å; V322-I435 HydrophobicContact CG2-CG2 4.46Å; T324-I435 HydrophobicContact CG2-CG1 4.17Å; M431-I435 WeakPolarHBondContact O-CG1 3.47Å; M431-I435 PolarHBondContact O-N 2.98Å; A432-I435 PolarHBondContact O-N 2.97Å
436	L	97.1	Very high	97	Very high	25 Å²	25	16.9 Å²	16.9	13%	0.131	10%	0.103	C	C	.	.	H	α-helix	trans	-102	-17.2	-171.9	-57.9	-178.7	0	0	0	113.1	T136 L175 A432 M440	T136-L436 HydrophobicContact CG2-CD2 4.09Å; L175-L436 HydrophobicContact CD2-CD2 4.05Å; A432-L436 WeakPolarHBondContact O-CB 2.97Å; A432-L436 PolarHBondContact O-N 2.92Å; L436-M440 HydrophobicContact CB-CB 4.29Å; L436-M440 HydrophobicContact CD1-CB 3.92Å; L436-M440 HydrophobicContact CD1-CE 4.23Å; L436-M440 HydrophobicContact CD1-SD 4Å
437	G	95.8	Very high	96.6	Very high	26 Å²	26	21.3 Å²	21.3	27%	0.268	12%	0.123	S	C	.	.			trans	86.3	-151.6	177.6	0	0	0	0	0	113.8	G433 S439 F465	G433-G437 WeakPolarHBondContact O-CA 3.11Å; G433-G437 PolarHBondContact O-N 3.14Å; G437-S439 VanDerWaalsContact C-N 3.29Å; G437-S439 PolarHBondContact O-N 3.16Å; G437-F465 WeakPolarHBondContact O-CZ 3.3Å
438	E	96.3	Very high	96.1	Very high	127 Å²	127	25.2 Å²	25.2	59%	0.593	14%	0.144	S	C	*	.	S	Bend	trans	-74.6	-12.1	-171.4	69.7	-176.2	-175	0	0	115	F465 N467	E438-F465 HydrophobicContact CB-CB 4.18Å; E438-F465 HydrophobicContact CB-CD1 3.4Å; E438-F465 HydrophobicContact CB-CD2 4.27Å; E438-F465 HydrophobicContact CB-CE1 3.76Å; E438-F465 HydrophobicContact CB-CG 3.7Å; E438-F465 HydrophobicContact CB-CZ 4.35Å; E438-N467 PolarHBondContact O-ND2 3.26Å
439	S	96.3	Very high	95.9	Very high	22 Å²	22	26.8 Å²	26.8	15%	0.154	15%	0.152	C	C	.	.			trans	-156.7	141.3	177.5	-166.9	0	0	0	0	111.8	Q130 G437 C469 W470	Q130-S439 PolarHBondContact OE1-OG 2.88Å; Q130-S439 VanDerWaalsContact OE1-OG 3.05Å; G437-S439 VanDerWaalsContact C-N 3.29Å; G437-S439 PolarHBondContact O-N 3.16Å; S439-C469 PolarHBondContact OG-O 2.96Å; S439-W470 CarbonylContact C-O 3.2Å; S439-W470 VanDerWaalsContact CA-O 3.24Å; S439-W470 WeakPolarHBondContact CA-O 3.33Å
440	M	97.3	Very high	95.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	158.1	176.2	72.9	-174.4	77.9	0	0	112.3	Q130 T136 A432 L436 H443 W470 V471 R472	Q130-M440 VanDerWaalsContact NE2-C 3.29Å; Q130-M440 PolarHBondContact NE2-O 3.4Å; T136-M440 WeakPolarHBondContact OG1-CA 3.34Å; A432-M440 HydrophobicContact CB-CE 3.93Å; L436-M440 HydrophobicContact CB-CB 4.29Å; L436-M440 HydrophobicContact CD1-CB 3.92Å; L436-M440 HydrophobicContact CD1-CE 4.23Å; L436-M440 HydrophobicContact CD1-SD 4Å; M440-H443 HydrophobicContact SD-CB 4.13Å; M440-W470 HydrophobicContact CE-CD2 4.04Å; M440-W470 HydrophobicContact CE-CE3 4.49Å; M440-W470 HydrophobicContact CE-CH2 3.8Å; M440-W470 HydrophobicContact CE-CZ2 3.26Å; M440-W470 HydrophobicContact CE-CZ3 4.37Å; M440-W470 PolarHBondContact N-O 3.36Å; M440-V471 HydrophobicContact CE-CG2 4.29Å; M440-V471 HydrophobicContact CG-CB 4.41Å; M440-V471 HydrophobicContact CG-CG1 4.45Å; M440-V471 HydrophobicContact CG-CG2 3.88Å; M440-V471 HydrophobicContact SD-CG2 4.04Å; M440-R472 PolarHBondContact O-N 3.14Å
441	D	98.4	Very high	95.1	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-53.8	-179.5	-55.3	-68.1	0	0	0	111.1	Q130 V135 T136 Y473	Q130-D441 WeakPolarHBondContact CB-OD1 3.5Å; Q130-D441 VanDerWaalsContact CG-OD1 3.23Å; Q130-D441 WeakPolarHBondContact CG-OD1 3.3Å; Q130-D441 PolarHBondContact N-OD1 3.01Å; Q130-D441 PolarHBondContact NE2-OD1 2.92Å; V135-D441 HydrophobicContact CG1-CB 4.22Å; T136-D441 PolarHBondContact N-OD2 3.16Å; T136-D441 WeakPolarHBondContact O-CB 3.36Å; T136-D441 PolarHBondContact O-N 2.9Å; T136-D441 PolarHBondContact OG1-N 2.79Å; T136-D441 PolarHBondContact OG1-OD2 3.36Å; D441-Y473 WeakPolarHBondContact O-CD2 3.26Å; D441-Y473 PolarHBondContact O-N 3.44Å
442	I	98.6	Very high	94.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.7	-173.5	-55.7	177.6	0	0	0	111	F127 V135 T136 W137 Y138 L166 Y473 L475	F127-I442 HydrophobicContact CE2-CD1 3.81Å; F127-I442 HydrophobicContact CE2-CG1 3.94Å; F127-I442 HydrophobicContact CZ-CD1 3.94Å; F127-I442 HydrophobicContact CZ-CG1 4.39Å; V135-I442 HydrophobicContact CG1-CD1 3.81Å; V135-I442 HydrophobicContact CG1-CG1 4.22Å; T136-I442 PolarHBondContact O-N 2.97Å; W137-I442 VanDerWaalsContact CA-O 3.29Å; W137-I442 WeakPolarHBondContact CA-O 3.12Å; W137-I442 HydrophobicContact CB-CB 4.11Å; W137-I442 HydrophobicContact CD2-CB 4.08Å; W137-I442 HydrophobicContact CD2-CD1 4.24Å; W137-I442 HydrophobicContact CD2-CG2 3.82Å; W137-I442 HydrophobicContact CE3-CD1 4.04Å; W137-I442 HydrophobicContact CG-CB 3.76Å; W137-I442 HydrophobicContact CG-CG2 3.84Å; W137-I442 HydrophobicContact CZ2-CG2 4.16Å; W137-I442 HydrophobicContact CZ3-CD1 4.44Å; Y138-I442 PolarHBondContact N-O 3.05Å; L166-I442 HydrophobicContact CD1-CD1 3.79Å; I442-Y473 WeakPolarHBondContact CA-O 3.27Å; I442-L475 HydrophobicContact CD1-CD1 4.43Å; I442-L475 HydrophobicContact CG2-CD1 3.65Å; I442-L475 HydrophobicContact CG2-CG 3.89Å
443	H	98.4	Very high	94.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.8	164.6	-162.7	122	0	0	0	109.7	Y138 M440 H454 E457 W470 V471 Y473 F474 L475	Y138-H443 AromaticContact CD1-CE1 3.5Å; Y138-H443 AromaticContact CD1-NE2 3.78Å; Y138-H443 AromaticContact CE1-CE1 3.99Å; Y138-H443 CarbonylContact O-C 3.49Å; Y138-H443 VanDerWaalsContact O-CA 3.31Å; Y138-H443 WeakPolarHBondContact O-CA 3.36Å; M440-H443 HydrophobicContact SD-CB 4.13Å; H443-H454 AromaticContact CD2-CE1 3.78Å; H443-H454 AromaticContact CD2-NE2 3.92Å; H443-H454 AromaticContact NE2-CD2 3.76Å; H443-H454 AromaticContact NE2-NE2 3.7Å; H443-E457 IonicContact CE1-OE2 3.54Å; H443-E457 PolarHBondContact CE1-OE2 2.99Å; H443-E457 IonicContact NE2-OE2 3.23Å; H443-W470 AromaticContact CE1-CH2 3.93Å; H443-W470 AromaticContact ND1-CH2 3.88Å; H443-W470 AromaticContact ND1-CZ3 3.79Å; H443-V471 HydrophobicContact CB-CB 4.31Å; H443-V471 HydrophobicContact CB-CG1 3.5Å; H443-V471 HydrophobicContact CB-CG2 3.79Å; H443-Y473 PolarHBondContact N-O 2.82Å; H443-F474 HydrophobicContact CB-CD1 3.83Å; H443-F474 HydrophobicContact CB-CE1 3.75Å; H443-F474 HydrophobicContact CB-CZ 4.45Å; H443-F474 AromaticContact CG-CE1 3.86Å; H443-F474 WeakPolarHBondContact O-CA 3.38Å; H443-L475 PolarHBondContact O-N 3.19Å
444	G	97.3	Very high	94.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	147.2	-174.6	0	0	0	0	0	114.2	Y138 C139 C140 L475	Y138-G444 PolarHBondContact O-N 2.65Å; C139-G444 WeakPolarHBondContact CA-O 3.2Å; C139-G444 PolarHBondContact SG-O 3.3Å; C140-G444 PolarHBondContact N-O 3.13Å; G444-L475 WeakPolarHBondContact CA-O 3.49Å
445	G	95.4	Very high	94.4	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	176.6	167.4	0	0	0	0	0	113	F159 L475 H476 T477	F159-G445 WeakPolarHBondContact CZ-O 3.32Å; G445-L475 PolarHBondContact N-O 2.61Å; G445-H476 VanDerWaalsContact O-CA 3.25Å; G445-H476 WeakPolarHBondContact O-CA 3.25Å; G445-T477 PolarHBondContact O-N 3.23Å; G445-T477 VanDerWaalsContact O-N 3.07Å
446	G	92.1	Very high	94.3	Very high	15 Å²	15	28.9 Å²	28.9	16%	0.155	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	154.4	170.2	0	0	0	0	0	111.4	D448 L449	G446-D448 PolarHBondContact O-N 3.49Å; G446-D448 VanDerWaalsContact O-N 3.13Å; G446-L449 WeakPolarHBondContact O-CB 3.28Å; G446-L449 PolarHBondContact O-N 3.44Å
447	F	89.1	Confident	94.3	Very high	94 Å²	94	27.7 Å²	27.7	41%	0.412	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-54.3	-33.4	178	-175.7	-81.1	0	0	0	113.6	L449 R450 T477 H479	F447-L449 PolarHBondContact O-N 2.93Å; F447-R450 VanDerWaalsContact O-CB 3.25Å; F447-R450 WeakPolarHBondContact O-CB 3.43Å; F447-R450 PolarHBondContact O-N 3.48Å; F447-R450 VanDerWaalsContact O-N 3.12Å; F447-T477 WeakPolarHBondContact CB-O 3.39Å; F447-T477 PolarHBondContact N-O 2.91Å; F447-H479 AromaticContact CD1-CE1 3.2Å; F447-H479 WeakPolarHBondContact CD1-CE1 3.25Å; F447-H479 AromaticContact CD1-NE2 3.94Å; F447-H479 AromaticContact CG-CE1 3.77Å
448	D	86.7	Confident	94.2	Very high	83 Å²	83	27 Å²	27	44%	0.444	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-59.7	-24.3	175.2	-72.4	-47	0	0	0	113.4	G446 H479 K486	G446-D448 PolarHBondContact O-N 3.49Å; G446-D448 VanDerWaalsContact O-N 3.13Å; D448-H479 IonicContact OD1-CD2 2.86Å; D448-H479 IonicContact OD1-CE1 3.25Å; D448-H479 IonicContact OD1-NE2 3.44Å; D448-H479 PolarHBondContact OD1-NE2 2.97Å; D448-H479 IonicContact OD2-CD2 3.76Å; D448-H479 PolarHBondContact OD2-CD2 2.81Å; D448-H479 IonicContact OD2-NE2 3.64Å; D448-H479 PolarHBondContact OD2-NE2 3.39Å; D448-H479 VanDerWaalsContact OD2-NE2 3.13Å; D448-K486 IonicContact OD1-NZ 3.57Å; D448-K486 PolarHBondContact OD1-NZ 2.9Å; D448-K486 IonicContact OD2-NZ 2.86Å; D448-K486 PolarHBondContact OD2-NZ 2.92Å
449	L	91.9	Very high	94.2	Very high	34 Å²	34	21.1 Å²	21.1	18%	0.178	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-83.9	-15.7	179.5	-59.1	-179.2	0	0	0	112.7	C140 W424 G446 F447 F451 H453 H454	C140-L449 HydrophobicContact CB-CD1 3.55Å; W424-L449 HydrophobicContact CH2-CD2 4.06Å; W424-L449 HydrophobicContact CZ2-CD2 3.78Å; G446-L449 WeakPolarHBondContact O-CB 3.28Å; G446-L449 PolarHBondContact O-N 3.44Å; F447-L449 PolarHBondContact O-N 2.93Å; L449-F451 PolarHBondContact O-N 3.39Å; L449-H453 HydrophobicContact CB-CB 4.34Å; L449-H453 HydrophobicContact CD2-CB 4.26Å; L449-H453 WeakPolarHBondContact O-CB 3.35Å; L449-H453 PolarHBondContact O-N 3.11Å; L449-H454 WeakPolarHBondContact CB-NE2 3.41Å; L449-H454 PolarHBondContact O-N 3.5Å
450	R	90.7	Very high	94.2	Very high	37 Å²	37	20 Å²	20	14%	0.14	10%	0.101	C	C	.	.	I	π-helix	trans	-53.2	-42.1	179.5	-175.1	-175.4	-176.6	-173.8	9.3	112.1	S119 R122 F371 F447 H476	S119-R450 PolarHBondContact O-NH2 2.98Å; R122-R450 VanDerWaalsContact NE-NH2 3.13Å; F371-R450 HydrophobicContact CB-CG 3.88Å; F371-R450 HydrophobicContact CD1-CG 3.95Å; F371-R450 VanDerWaalsContact CD1-NE 3.31Å; F371-R450 HydrophobicContact CD2-CG 4.29Å; F371-R450 HydrophobicContact CG-CG 3.77Å; F447-R450 VanDerWaalsContact O-CB 3.25Å; F447-R450 WeakPolarHBondContact O-CB 3.43Å; F447-R450 PolarHBondContact O-N 3.48Å; F447-R450 VanDerWaalsContact O-N 3.12Å; R450-H476 WeakPolarHBondContact CA-NE2 3.38Å
451	F	89.6	Confident	94.3	Very high	101 Å²	101	20 Å²	20	44%	0.443	10%	0.101	S	C	.	.	I	π-helix	trans	-144.1	134.2	174.7	-178.3	-93.5	0	0	0	110.3	I372 L449 D455	I372-F451 HydrophobicContact CD1-CD2 3.87Å; I372-F451 HydrophobicContact CD1-CE2 3.52Å; I372-F451 HydrophobicContact CD1-CZ 3.87Å; I372-F451 HydrophobicContact CG1-CD2 3.98Å; I372-F451 HydrophobicContact CG1-CE2 4.17Å; I372-F451 HydrophobicContact CG1-CG 4.46Å; L449-F451 PolarHBondContact O-N 3.39Å; F451-D455 HydrophobicContact CD2-CB 4Å
452	P	90.7	Very high	94.1	Very high	29 Å²	29	20.5 Å²	20.5	19%	0.188	10%	0.103	C	C	.	.	I	π-helix	cis	-85.1	-6.9	1.1	33.9	-35.7	0	0	0	114.5	N456	P452-N456 VanDerWaalsContact O-CB 3.32Å; P452-N456 WeakPolarHBondContact O-CB 3.2Å; P452-N456 PolarHBondContact O-N 2.93Å; P452-N456 PolarHBondContact O-ND2 3.26Å; P452-N456 PolarHBondContact O-OD1 3.32Å
453	H	93.7	Very high	94	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.014	10%	0.103	C	C	.	.	I	π-helix	trans	-63.3	-62	-163.3	-171.4	72.3	0	0	0	114.2	W424 H425 L449 D455 N456 E457	W424-H453 AromaticContact CD1-CE1 3.78Å; W424-H453 AromaticContact CD2-ND1 3.65Å; W424-H453 AromaticContact CE2-CE1 3.61Å; W424-H453 AromaticContact CE2-ND1 3.42Å; W424-H453 HydrophobicContact CH2-CB 4.08Å; W424-H453 HydrophobicContact CZ2-CB 4.29Å; W424-H453 AromaticContact CZ2-CG 3.94Å; W424-H453 AromaticContact CZ2-ND1 3.7Å; W424-H453 HydrophobicContact CZ3-CB 4.42Å; W424-H453 AromaticContact NE1-CE1 3.38Å; W424-H453 PolarHBondContact NE1-CE1 3.04Å; W424-H453 AromaticContact NE1-ND1 3.69Å; H425-H453 AromaticContact CE1-ND1 3.92Å; H425-H453 WeakPolarHBondContact ND1-CA 3.39Å; H425-H453 AromaticContact ND1-CG 3.84Å; H425-H453 AromaticContact ND1-ND1 3.14Å; H425-H453 PolarHBondContact ND1-ND1 3.07Å; H425-H453 VanDerWaalsContact ND1-ND1 3.14Å; L449-H453 HydrophobicContact CB-CB 4.34Å; L449-H453 HydrophobicContact CD2-CB 4.26Å; L449-H453 WeakPolarHBondContact O-CB 3.35Å; L449-H453 PolarHBondContact O-N 3.11Å; H453-D455 VanDerWaalsContact C-N 3.3Å; H453-D455 PolarHBondContact O-N 3.35Å; H453-N456 PolarHBondContact O-N 2.91Å; H453-E457 IonicContact CD2-OE1 2.57Å; H453-E457 PolarHBondContact CD2-OE1 2.89Å; H453-E457 IonicContact CE1-OE1 3.77Å; H453-E457 IonicContact CG-OE1 2.75Å; H453-E457 IonicContact ND1-OE1 3.22Å; H453-E457 IonicContact NE2-OE1 2.66Å; H453-E457 PolarHBondContact NE2-OE1 2.86Å; H453-E457 WeakPolarHBondContact O-CG 3.41Å; H453-E457 PolarHBondContact O-N 2.66Å
454	H	95.8	Very high	93.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.	I	π-helix	trans	-67.8	-28.6	-179	-66.7	179.8	0	0	0	113.4	C140 F371 H443 L449 E457 L458 F474 H476	C140-H454 PolarHBondContact SG-NE2 3.08Å; F371-H454 HydrophobicContact CE2-CB 4.44Å; H443-H454 AromaticContact CD2-CE1 3.78Å; H443-H454 AromaticContact CD2-NE2 3.92Å; H443-H454 AromaticContact NE2-CD2 3.76Å; H443-H454 AromaticContact NE2-NE2 3.7Å; L449-H454 WeakPolarHBondContact CB-NE2 3.41Å; L449-H454 PolarHBondContact O-N 3.5Å; H454-E457 IonicContact CD2-OE1 3.42Å; H454-E457 PolarHBondContact CD2-OE1 2.82Å; H454-E457 VanDerWaalsContact CD2-OE1 3.24Å; H454-E457 PolarHBondContact O-N 2.97Å; H454-L458 WeakPolarHBondContact O-CB 3.14Å; H454-L458 PolarHBondContact O-N 3.32Å; H454-F474 HydrophobicContact CB-CE1 4.04Å; H454-H476 AromaticContact CE1-CD2 3.82Å; H454-H476 AromaticContact CE1-NE2 3.48Å; H454-H476 PolarHBondContact CE1-NE2 3.18Å; H454-H476 AromaticContact CG-NE2 3.84Å; H454-H476 AromaticContact ND1-CD2 3.6Å; H454-H476 AromaticContact ND1-CE1 3.73Å; H454-H476 AromaticContact ND1-NE2 2.8Å; H454-H476 PolarHBondContact ND1-NE2 3.33Å
455	D	93.1	Very high	93.9	Very high	3 Å²	3	24 Å²	24	2%	0.016	12%	0.119	C	C	.	.	H	α-helix	trans	-65.2	-43.6	174.4	-156.5	85.2	0	0	0	110.6	G369 V370 F371 F451 H453 L458 A459	G369-D455 WeakPolarHBondContact CA-OD1 3.48Å; G369-D455 WeakPolarHBondContact CA-OD2 3.33Å; G369-D455 PolarHBondContact N-OD2 2.93Å; V370-D455 PolarHBondContact N-OD1 2.89Å; F371-D455 HydrophobicContact CD2-CB 4.02Å; F371-D455 WeakPolarHBondContact CD2-OD1 3.47Å; F371-D455 PolarHBondContact N-OD1 2.99Å; F451-D455 HydrophobicContact CD2-CB 4Å; H453-D455 VanDerWaalsContact C-N 3.3Å; H453-D455 PolarHBondContact O-N 3.35Å; D455-L458 PolarHBondContact O-N 3.47Å; D455-A459 PolarHBondContact O-N 3.08Å; D455-A459 VanDerWaalsContact O-N 3.11Å
456	N	95.4	Very high	93.8	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-67.3	-38.3	174.4	-68.8	-6.4	0	0	0	112.1	Y368 F400 H425 P452 H453 A459 Q460	Y368-N456 PolarHBondContact OH-OD1 2.67Å; F400-N456 HydrophobicContact CD1-CB 4.36Å; F400-N456 VanDerWaalsContact CD1-CG 3.5Å; F400-N456 WeakPolarHBondContact CD1-ND2 3.41Å; F400-N456 WeakPolarHBondContact CD1-OD1 3.44Å; F400-N456 HydrophobicContact CD2-CB 4.32Å; F400-N456 HydrophobicContact CE1-CB 3.96Å; F400-N456 VanDerWaalsContact CE1-CG 3.41Å; F400-N456 WeakPolarHBondContact CE1-OD1 3.33Å; F400-N456 HydrophobicContact CE2-CB 3.93Å; F400-N456 WeakPolarHBondContact CG-ND2 3.44Å; F400-N456 HydrophobicContact CZ-CB 3.72Å; H425-N456 HydrophobicContact CB-CB 3.83Å; H425-N456 PolarHBondContact CD2-ND2 2.97Å; H425-N456 PolarHBondContact NE2-ND2 2.79Å; H425-N456 VanDerWaalsContact NE2-ND2 3.14Å; P452-N456 VanDerWaalsContact O-CB 3.32Å; P452-N456 WeakPolarHBondContact O-CB 3.2Å; P452-N456 PolarHBondContact O-N 2.93Å; P452-N456 PolarHBondContact O-ND2 3.26Å; P452-N456 PolarHBondContact O-OD1 3.32Å; H453-N456 PolarHBondContact O-N 2.91Å; N456-A459 PolarHBondContact O-N 2.97Å; N456-Q460 WeakPolarHBondContact O-CB 3.25Å; N456-Q460 WeakPolarHBondContact O-CG 3.48Å; N456-Q460 PolarHBondContact O-N 3.31Å
457	E	97	Very high	93.8	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.3	-41.9	177.1	-73.4	176.9	-114.3	0	0	112.7	C428 S429 H443 H453 H454 Q460 S461 W470	C428-E457 HydrophobicContact CB-CG 4.06Å; C428-E457 WeakPolarHBondContact CB-OE2 3.48Å; S429-E457 VanDerWaalsContact OG-CA 3.23Å; S429-E457 WeakPolarHBondContact OG-CA 3.43Å; S429-E457 PolarHBondContact OG-O 3.14Å; H443-E457 IonicContact CE1-OE2 3.54Å; H443-E457 PolarHBondContact CE1-OE2 2.99Å; H443-E457 IonicContact NE2-OE2 3.23Å; H453-E457 IonicContact CD2-OE1 2.57Å; H453-E457 PolarHBondContact CD2-OE1 2.89Å; H453-E457 IonicContact CE1-OE1 3.77Å; H453-E457 IonicContact CG-OE1 2.75Å; H453-E457 IonicContact ND1-OE1 3.22Å; H453-E457 IonicContact NE2-OE1 2.66Å; H453-E457 PolarHBondContact NE2-OE1 2.86Å; H453-E457 WeakPolarHBondContact O-CG 3.41Å; H453-E457 PolarHBondContact O-N 2.66Å; H454-E457 IonicContact CD2-OE1 3.42Å; H454-E457 PolarHBondContact CD2-OE1 2.82Å; H454-E457 VanDerWaalsContact CD2-OE1 3.24Å; H454-E457 PolarHBondContact O-N 2.97Å; E457-Q460 PolarHBondContact O-N 3.06Å; E457-S461 VanDerWaalsContact O-CB 3.29Å; E457-S461 WeakPolarHBondContact O-CB 3.28Å; E457-S461 PolarHBondContact O-N 3.36Å; E457-S461 PolarHBondContact O-OG 3.43Å; E457-W470 HydrophobicContact CB-CH2 4.32Å; E457-W470 HydrophobicContact CB-CZ3 3.93Å
458	L	95.4	Very high	93.8	Very high	11 Å²	11	30.7 Å²	30.7	6%	0.058	15%	0.151	C	C	.	.	H	α-helix	trans	-59.1	-51.4	174.6	-173.6	66.3	0	0	0	110	V370 H454 D455 Q460 S461 E462 W470 F474	V370-L458 HydrophobicContact CG2-CD2 3.73Å; H454-L458 WeakPolarHBondContact O-CB 3.14Å; H454-L458 PolarHBondContact O-N 3.32Å; D455-L458 PolarHBondContact O-N 3.47Å; L458-Q460 PolarHBondContact O-N 2.91Å; L458-S461 PolarHBondContact O-N 3.41Å; L458-E462 HydrophobicContact CD1-CG 4.23Å; L458-E462 VanDerWaalsContact CD1-OE1 3.27Å; L458-E462 WeakPolarHBondContact CD1-OE1 3.34Å; L458-E462 HydrophobicContact CG-CG 4.42Å; L458-E462 VanDerWaalsContact O-CB 3.3Å; L458-E462 WeakPolarHBondContact O-CB 3.37Å; L458-E462 VanDerWaalsContact O-CG 3.31Å; L458-E462 WeakPolarHBondContact O-CG 3.4Å; L458-E462 PolarHBondContact O-N 2.96Å; L458-W470 HydrophobicContact CD1-CB 4.17Å; L458-W470 HydrophobicContact CD1-CE3 4.31Å; L458-F474 HydrophobicContact CD1-CE2 4.29Å; L458-F474 HydrophobicContact CD1-CZ 4.21Å
459	A	95.5	Very high	93.9	Very high	3 Å²	3	28.2 Å²	28.2	3%	0.025	14%	0.14	C	C	.	.	H	α-helix	trans	-60.5	-42.9	179.6	0	0	0	0	0	112.9	F355 F360 Y368 D455 N456 A463	F355-A459 HydrophobicContact CE1-CB 4.02Å; F355-A459 HydrophobicContact CZ-CB 3.87Å; F360-A459 HydrophobicContact CD1-CB 4.09Å; F360-A459 HydrophobicContact CE1-CB 3.71Å; F360-A459 WeakPolarHBondContact CE2-O 3.28Å; F360-A459 HydrophobicContact CZ-CB 4.02Å; Y368-A459 HydrophobicContact CD2-CB 3.92Å; Y368-A459 HydrophobicContact CE2-CB 4.19Å; D455-A459 PolarHBondContact O-N 3.08Å; D455-A459 VanDerWaalsContact O-N 3.11Å; N456-A459 PolarHBondContact O-N 2.97Å; A459-A463 WeakPolarHBondContact O-CB 3.33Å; A459-A463 PolarHBondContact O-N 3.36Å
460	Q	97.2	Very high	94.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.6	-45.6	177	-74.4	166.7	-13.4	0	0	112.2	F336 I340 F355 F400 L402 H425 I426 S429 N456 E457 L458 A463 F464	F336-Q460 HydrophobicContact CE1-CB 4.42Å; I340-Q460 HydrophobicContact CD1-CB 4.04Å; I340-Q460 HydrophobicContact CD1-CG 4.27Å; F355-Q460 HydrophobicContact CD2-CG 4.3Å; F355-Q460 HydrophobicContact CE2-CG 4.49Å; F400-Q460 HydrophobicContact CE2-CG 3.83Å; F400-Q460 VanDerWaalsContact CE2-NE2 3.33Å; F400-Q460 HydrophobicContact CZ-CG 4.21Å; L402-Q460 HydrophobicContact CD2-CG 3.83Å; L402-Q460 VanDerWaalsContact CD2-NE2 3.27Å; H425-Q460 PolarHBondContact O-OE1 3.45Å; I426-Q460 VanDerWaalsContact CA-OE1 3.32Å; I426-Q460 HydrophobicContact CD1-CB 4.16Å; I426-Q460 HydrophobicContact CD1-CG 4.03Å; S429-Q460 PolarHBondContact OG-OE1 3.49Å; N456-Q460 WeakPolarHBondContact O-CB 3.25Å; N456-Q460 WeakPolarHBondContact O-CG 3.48Å; N456-Q460 PolarHBondContact O-N 3.31Å; E457-Q460 PolarHBondContact O-N 3.06Å; L458-Q460 PolarHBondContact O-N 2.91Å; Q460-A463 PolarHBondContact O-N 2.82Å; Q460-F464 WeakPolarHBondContact O-CB 3.38Å; Q460-F464 PolarHBondContact O-N 3.17Å
461	S	97.6	Very high	94.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-73	-43.3	-175.3	-59.9	0	0	0	0	111.9	S429 E457 L458 A463 F464 F465 W470	S429-S461 WeakPolarHBondContact CB-OG 3.36Å; S429-S461 PolarHBondContact OG-OG 3.39Å; E457-S461 VanDerWaalsContact O-CB 3.29Å; E457-S461 WeakPolarHBondContact O-CB 3.28Å; E457-S461 PolarHBondContact O-N 3.36Å; E457-S461 PolarHBondContact O-OG 3.43Å; L458-S461 PolarHBondContact O-N 3.41Å; S461-A463 VanDerWaalsContact C-N 3.33Å; S461-A463 PolarHBondContact O-N 3.01Å; S461-F464 PolarHBondContact O-N 3.27Å; S461-F464 VanDerWaalsContact O-N 3.14Å; S461-F465 WeakPolarHBondContact O-CD2 3.49Å; S461-F465 PolarHBondContact O-N 3.16Å; S461-W470 VanDerWaalsContact CB-CG 3.44Å; S461-W470 VanDerWaalsContact OG-CE2 3.24Å; S461-W470 WeakPolarHBondContact OG-CH2 3.45Å; S461-W470 VanDerWaalsContact OG-CZ2 3.25Å; S461-W470 WeakPolarHBondContact OG-CZ2 3.44Å
462	E	95.9	Very high	94.7	Very high	13 Å²	13	25 Å²	25	6%	0.061	12%	0.123	C	C	.	.	H	α-helix	trans	-60.6	-41.8	172.3	-73.9	-170.9	-174.8	0	0	111.8	F360 H366 L458 F464 Q466 N467 D468 W470	F360-E462 HydrophobicContact CE2-CB 4.22Å; F360-E462 HydrophobicContact CZ-CB 3.9Å; H366-E462 IonicContact ND1-OE2 2.71Å; H366-E462 PolarHBondContact ND1-OE2 3.21Å; L458-E462 HydrophobicContact CD1-CG 4.23Å; L458-E462 VanDerWaalsContact CD1-OE1 3.27Å; L458-E462 WeakPolarHBondContact CD1-OE1 3.34Å; L458-E462 HydrophobicContact CG-CG 4.42Å; L458-E462 VanDerWaalsContact O-CB 3.3Å; L458-E462 WeakPolarHBondContact O-CB 3.37Å; L458-E462 VanDerWaalsContact O-CG 3.31Å; L458-E462 WeakPolarHBondContact O-CG 3.4Å; L458-E462 PolarHBondContact O-N 2.96Å; E462-F464 VanDerWaalsContact C-N 3.32Å; E462-F464 PolarHBondContact O-N 2.98Å; E462-Q466 WeakPolarHBondContact O-CA 3.5Å; E462-Q466 PolarHBondContact O-N 3.29Å; E462-N467 WeakPolarHBondContact CA-O 3.38Å; E462-N467 WeakPolarHBondContact CB-O 3.4Å; E462-N467 WeakPolarHBondContact CG-O 3.45Å; E462-N467 PolarHBondContact O-N 3.07Å; E462-D468 VanDerWaalsContact OE1-C 3.3Å; E462-W470 HydrophobicContact CG-CB 4.26Å
463	A	96	Very high	95.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.6	-35.3	173.9	0	0	0	0	0	112.9	I340 N343 Y345 F355 F360 A459 Q460 S461	I340-A463 HydrophobicContact CG1-CB 4.41Å; I340-A463 HydrophobicContact CG2-CB 4.49Å; N343-A463 PolarHBondContact ND2-O 3.36Å; Y345-A463 HydrophobicContact CD2-CB 3.59Å; Y345-A463 HydrophobicContact CE2-CB 4.32Å; Y345-A463 HydrophobicContact CG-CB 3.93Å; F355-A463 HydrophobicContact CE2-CB 3.76Å; F355-A463 HydrophobicContact CZ-CB 4.05Å; F360-A463 HydrophobicContact CD2-CB 4.12Å; F360-A463 HydrophobicContact CE2-CB 3.93Å; A459-A463 WeakPolarHBondContact O-CB 3.33Å; A459-A463 PolarHBondContact O-N 3.36Å; Q460-A463 PolarHBondContact O-N 2.82Å; S461-A463 VanDerWaalsContact C-N 3.33Å; S461-A463 PolarHBondContact O-N 3.01Å
464	F	97	Very high	95.3	Very high	29 Å²	29	24.6 Å²	24.6	13%	0.127	12%	0.118	C	C	.	.	H	α-helix	trans	-74.9	-43.3	179.1	174.6	-87.3	0	0	0	112.9	F336 K339 I340 Q460 S461 E462	F336-F464 HydrophobicContact CB-CD2 4.18Å; F336-F464 HydrophobicContact CB-CE2 4.21Å; F336-F464 HydrophobicContact CD1-CB 3.93Å; F336-F464 AromaticContact CD1-CD2 3.61Å; F336-F464 HydrophobicContact CD1-CD2 3.61Å; F336-F464 HydrophobicContact CD1-CE2 4.42Å; F336-F464 AromaticContact CD1-CG 3.92Å; F336-F464 HydrophobicContact CD1-CG 3.92Å; F336-F464 HydrophobicContact CD2-CD1 4.08Å; F336-F464 AromaticContact CD2-CD2 3.52Å; F336-F464 HydrophobicContact CD2-CD2 3.52Å; F336-F464 HydrophobicContact CD2-CE1 4.15Å; F336-F464 AromaticContact CD2-CE2 3.62Å; F336-F464 HydrophobicContact CD2-CE2 3.62Å; F336-F464 AromaticContact CD2-CG 3.79Å; F336-F464 HydrophobicContact CD2-CG 3.79Å; F336-F464 AromaticContact CD2-CZ 3.94Å; F336-F464 HydrophobicContact CD2-CZ 3.94Å; F336-F464 HydrophobicContact CE1-CB 3.34Å; F336-F464 HydrophobicContact CE1-CD1 4.46Å; F336-F464 AromaticContact CE1-CD2 3.88Å; F336-F464 HydrophobicContact CE1-CD2 3.88Å; F336-F464 AromaticContact CE1-CG 3.66Å; F336-F464 HydrophobicContact CE1-CG 3.66Å; F336-F464 HydrophobicContact CE2-CB 4.02Å; F336-F464 AromaticContact CE2-CD1 3.56Å; F336-F464 HydrophobicContact CE2-CD1 3.56Å; F336-F464 AromaticContact CE2-CD2 3.76Å; F336-F464 HydrophobicContact CE2-CD2 3.76Å; F336-F464 AromaticContact CE2-CE1 3.92Å; F336-F464 HydrophobicContact CE2-CE1 3.92Å; F336-F464 HydrophobicContact CE2-CE2 4.12Å; F336-F464 AromaticContact CE2-CG 3.49Å; F336-F464 HydrophobicContact CE2-CG 3.49Å; F336-F464 VanDerWaalsContact CE2-CG 3.49Å; F336-F464 HydrophobicContact CE2-CZ 4.19Å; F336-F464 AromaticContact CG-CD2 3.47Å; F336-F464 HydrophobicContact CG-CD2 3.47Å; F336-F464 VanDerWaalsContact CG-CD2 3.47Å; F336-F464 AromaticContact CG-CE2 3.82Å; F336-F464 HydrophobicContact CG-CE2 3.82Å; F336-F464 HydrophobicContact CG-CG 4.02Å; F336-F464 HydrophobicContact CZ-CB 3.41Å; F336-F464 VanDerWaalsContact CZ-CB 3.41Å; F336-F464 AromaticContact CZ-CD1 3.81Å; F336-F464 HydrophobicContact CZ-CD1 3.81Å; F336-F464 AromaticContact CZ-CD2 3.95Å; F336-F464 HydrophobicContact CZ-CD2 3.95Å; F336-F464 AromaticContact CZ-CG 3.45Å; F336-F464 HydrophobicContact CZ-CG 3.45Å; F336-F464 VanDerWaalsContact CZ-CG 3.45Å; K339-F464 HydrophobicContact CB-CD2 3.61Å; K339-F464 HydrophobicContact CB-CE2 3.59Å; K339-F464 HydrophobicContact CD-CD1 4.33Å; K339-F464 HydrophobicContact CD-CD2 3.48Å; K339-F464 VanDerWaalsContact CD-CD2 3.48Å; K339-F464 HydrophobicContact CD-CE1 4.13Å; K339-F464 HydrophobicContact CD-CE2 3.2Å; K339-F464 HydrophobicContact CD-CG 4.03Å; K339-F464 HydrophobicContact CD-CZ 3.57Å; K339-F464 WeakPolarHBondContact CD-O 3.46Å; K339-F464 VanDerWaalsContact CE-O 3.27Å; K339-F464 WeakPolarHBondContact CE-O 3.29Å; K339-F464 HydrophobicContact CG-CD2 4.05Å; K339-F464 HydrophobicContact CG-CE2 4.01Å; K339-F464 PolarHBondContact NZ-O 2.92Å; I340-F464 HydrophobicContact CG1-CB 4.13Å; Q460-F464 WeakPolarHBondContact O-CB 3.38Å; Q460-F464 PolarHBondContact O-N 3.17Å; S461-F464 PolarHBondContact O-N 3.27Å; S461-F464 VanDerWaalsContact O-N 3.14Å; E462-F464 VanDerWaalsContact C-N 3.32Å; E462-F464 PolarHBondContact O-N 2.98Å
465	F	96.5	Very high	95.4	Very high	45 Å²	45	24.6 Å²	24.6	20%	0.197	12%	0.118	C	C	.	.	H	α-helix	trans	-87.7	-13.9	-178.6	-69.4	-68.6	0	0	0	113.4	F336 G437 E438 S461 N467 W470	F336-F465 HydrophobicContact CE2-CE2 4.46Å; G437-F465 WeakPolarHBondContact O-CZ 3.3Å; E438-F465 HydrophobicContact CB-CB 4.18Å; E438-F465 HydrophobicContact CB-CD1 3.4Å; E438-F465 HydrophobicContact CB-CD2 4.27Å; E438-F465 HydrophobicContact CB-CE1 3.76Å; E438-F465 HydrophobicContact CB-CG 3.7Å; E438-F465 HydrophobicContact CB-CZ 4.35Å; S461-F465 WeakPolarHBondContact O-CD2 3.49Å; S461-F465 PolarHBondContact O-N 3.16Å; F465-N467 WeakPolarHBondContact CB-ND2 3.41Å; F465-W470 AromaticContact CE2-NE1 3.96Å
466	Q	93.6	Very high	95.5	Very high	112 Å²	112	24.8 Å²	24.8	52%	0.523	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	49.2	-172.2	-60	-171.5	-42.9	0	0	111.9	E462	E462-Q466 WeakPolarHBondContact O-CA 3.5Å; E462-Q466 PolarHBondContact O-N 3.29Å
467	N	91.8	Very high	95.5	Very high	28 Å²	28	24.7 Å²	24.7	15%	0.15	12%	0.118	C	C	.	.			trans	-135.6	169.6	174.9	75.4	39.2	0	0	0	110.9	H366 E438 E462 F465 C469 W470	H366-N467 PolarHBondContact CE1-O 3.41Å; H366-N467 PolarHBondContact ND1-O 3.31Å; E438-N467 PolarHBondContact O-ND2 3.26Å; E462-N467 WeakPolarHBondContact CA-O 3.38Å; E462-N467 WeakPolarHBondContact CB-O 3.4Å; E462-N467 WeakPolarHBondContact CG-O 3.45Å; E462-N467 PolarHBondContact O-N 3.07Å; F465-N467 WeakPolarHBondContact CB-ND2 3.41Å; N467-C469 PolarHBondContact OD1-N 2.96Å; N467-W470 PolarHBondContact OD1-N 3.29Å
468	D	88.4	Confident	95.2	Very high	110 Å²	110	24.8 Å²	24.8	59%	0.588	12%	0.12	S	C	*	.	S	Bend	trans	-112.9	16	-177.3	65.5	-14.5	0	0	0	112.8	E462	E462-D468 VanDerWaalsContact OE1-C 3.3Å
469	C	90.1	Very high	94.8	Very high	31 Å²	31	26.4 Å²	26.4	21%	0.209	13%	0.127	C	C	.	.			trans	-151.6	51.6	-169.3	57.8	0	0	0	0	114.2	S439 N467 V471 R472	S439-C469 PolarHBondContact OG-O 2.96Å; N467-C469 PolarHBondContact OD1-N 2.96Å; C469-V471 VanDerWaalsContact C-N 3.29Å; C469-V471 PolarHBondContact O-N 3.48Å; C469-R472 PolarHBondContact SG-NH2 3.37Å; C469-R472 VanDerWaalsContact SG-NH2 3.41Å
470	W	95.5	Very high	94.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-63.4	-32.6	175.3	-176.3	58.4	0	0	0	113.3	A432 S439 M440 H443 E457 L458 S461 E462 F465 N467	A432-W470 HydrophobicContact CB-CH2 4.22Å; A432-W470 HydrophobicContact CB-CZ2 3.8Å; S439-W470 CarbonylContact C-O 3.2Å; S439-W470 VanDerWaalsContact CA-O 3.24Å; S439-W470 WeakPolarHBondContact CA-O 3.33Å; M440-W470 HydrophobicContact CE-CD2 4.04Å; M440-W470 HydrophobicContact CE-CE3 4.49Å; M440-W470 HydrophobicContact CE-CH2 3.8Å; M440-W470 HydrophobicContact CE-CZ2 3.26Å; M440-W470 HydrophobicContact CE-CZ3 4.37Å; M440-W470 PolarHBondContact N-O 3.36Å; H443-W470 AromaticContact CE1-CH2 3.93Å; H443-W470 AromaticContact ND1-CH2 3.88Å; H443-W470 AromaticContact ND1-CZ3 3.79Å; E457-W470 HydrophobicContact CB-CH2 4.32Å; E457-W470 HydrophobicContact CB-CZ3 3.93Å; L458-W470 HydrophobicContact CD1-CB 4.17Å; L458-W470 HydrophobicContact CD1-CE3 4.31Å; S461-W470 VanDerWaalsContact CB-CG 3.44Å; S461-W470 VanDerWaalsContact OG-CE2 3.24Å; S461-W470 WeakPolarHBondContact OG-CH2 3.45Å; S461-W470 VanDerWaalsContact OG-CZ2 3.25Å; S461-W470 WeakPolarHBondContact OG-CZ2 3.44Å; E462-W470 HydrophobicContact CG-CB 4.26Å; F465-W470 AromaticContact CE2-NE1 3.96Å; N467-W470 PolarHBondContact OD1-N 3.29Å
471	V	97	Very high	93.8	Very high	8 Å²	8	28 Å²	28	5%	0.048	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.1	179.5	178.3	0	0	0	0	110.6	M440 H443 C469 F474	M440-V471 HydrophobicContact CE-CG2 4.29Å; M440-V471 HydrophobicContact CG-CB 4.41Å; M440-V471 HydrophobicContact CG-CG1 4.45Å; M440-V471 HydrophobicContact CG-CG2 3.88Å; M440-V471 HydrophobicContact SD-CG2 4.04Å; H443-V471 HydrophobicContact CB-CB 4.31Å; H443-V471 HydrophobicContact CB-CG1 3.5Å; H443-V471 HydrophobicContact CB-CG2 3.79Å; C469-V471 VanDerWaalsContact C-N 3.29Å; C469-V471 PolarHBondContact O-N 3.48Å; V471-F474 HydrophobicContact CB-CD2 4.09Å; V471-F474 HydrophobicContact CB-CE1 4.42Å; V471-F474 HydrophobicContact CB-CE2 3.45Å; V471-F474 VanDerWaalsContact CB-CE2 3.45Å; V471-F474 HydrophobicContact CB-CZ 3.64Å; V471-F474 HydrophobicContact CG1-CD1 4.35Å; V471-F474 HydrophobicContact CG1-CD2 3.67Å; V471-F474 HydrophobicContact CG1-CE1 4.22Å; V471-F474 HydrophobicContact CG1-CE2 3.57Å; V471-F474 HydrophobicContact CG1-CG 4.1Å; V471-F474 HydrophobicContact CG1-CZ 3.85Å; V471-F474 HydrophobicContact CG2-CE1 4.27Å; V471-F474 HydrophobicContact CG2-CE2 4.05Å; V471-F474 HydrophobicContact CG2-CZ 3.68Å
472	R	96.4	Very high	92.8	Very high	95 Å²	95	30 Å²	30	36%	0.358	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-44.2	176.8	-56.8	-61.5	176.1	-169.2	-10.6	113.1	N118 Q130 M440 C469	N118-R472 PolarHBondContact ND2-O 2.88Å; Q130-R472 HydrophobicContact CG-CG 3.99Å; M440-R472 PolarHBondContact O-N 3.14Å; C469-R472 PolarHBondContact SG-NH2 3.37Å; C469-R472 VanDerWaalsContact SG-NH2 3.41Å
473	Y	97.8	Very high	91.5	Very high	24 Å²	24	33.5 Å²	33.5	9%	0.094	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	119.6	-176.3	-56.7	-88.9	0	0	0	111.9	N118 E125 P126 F127 V128 D441 I442 H443	N118-Y473 HydrophobicContact CB-CD1 4.43Å; E125-Y473 HydrophobicContact CB-CE1 4.12Å; P126-Y473 WeakPolarHBondContact O-CE1 3.45Å; P126-Y473 PolarHBondContact O-OH 3.36Å; F127-Y473 HydrophobicContact CD2-CD1 4.45Å; F127-Y473 AromaticContact CD2-CD2 3.87Å; F127-Y473 HydrophobicContact CD2-CD2 3.87Å; F127-Y473 HydrophobicContact CD2-CE1 4.33Å; F127-Y473 AromaticContact CD2-CE2 3.76Å; F127-Y473 HydrophobicContact CD2-CE2 3.76Å; F127-Y473 HydrophobicContact CD2-CG 4.24Å; F127-Y473 AromaticContact CE2-CD2 3.91Å; F127-Y473 HydrophobicContact CE2-CD2 3.91Å; F127-Y473 HydrophobicContact CE2-CE2 4.05Å; V128-Y473 PolarHBondContact N-OH 3.35Å; D441-Y473 WeakPolarHBondContact O-CD2 3.26Å; D441-Y473 PolarHBondContact O-N 3.44Å; I442-Y473 WeakPolarHBondContact CA-O 3.27Å; H443-Y473 PolarHBondContact N-O 2.82Å
474	F	97.6	Very high	90	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	117.2	172.4	-81.2	-86.9	0	0	0	111.6	N118 S119 L120 F371 H443 H454 L458 V471	N118-F474 PolarHBondContact OD1-N 3.08Å; S119-F474 WeakPolarHBondContact CB-O 3.31Å; S119-F474 PolarHBondContact N-O 3.48Å; S119-F474 PolarHBondContact OG-O 3.03Å; L120-F474 HydrophobicContact CB-CD2 4.34Å; F371-F474 HydrophobicContact CE1-CB 4.33Å; F371-F474 HydrophobicContact CE1-CD2 4.36Å; F371-F474 HydrophobicContact CE1-CG 4.28Å; F371-F474 HydrophobicContact CE2-CE1 4.39Å; F371-F474 HydrophobicContact CE2-CE2 4.42Å; F371-F474 HydrophobicContact CE2-CZ 4.32Å; F371-F474 HydrophobicContact CZ-CB 4.15Å; F371-F474 AromaticContact CZ-CD1 3.89Å; F371-F474 HydrophobicContact CZ-CD1 3.89Å; F371-F474 AromaticContact CZ-CD2 3.62Å; F371-F474 HydrophobicContact CZ-CD2 3.62Å; F371-F474 HydrophobicContact CZ-CE1 4.12Å; F371-F474 AromaticContact CZ-CE2 3.82Å; F371-F474 HydrophobicContact CZ-CE2 3.82Å; F371-F474 AromaticContact CZ-CG 3.62Å; F371-F474 HydrophobicContact CZ-CG 3.62Å; F371-F474 HydrophobicContact CZ-CZ 4.07Å; H443-F474 HydrophobicContact CB-CD1 3.83Å; H443-F474 HydrophobicContact CB-CE1 3.75Å; H443-F474 HydrophobicContact CB-CZ 4.45Å; H443-F474 AromaticContact CG-CE1 3.86Å; H443-F474 WeakPolarHBondContact O-CA 3.38Å; H454-F474 HydrophobicContact CB-CE1 4.04Å; L458-F474 HydrophobicContact CD1-CE2 4.29Å; L458-F474 HydrophobicContact CD1-CZ 4.21Å; V471-F474 HydrophobicContact CB-CD2 4.09Å; V471-F474 HydrophobicContact CB-CE1 4.42Å; V471-F474 HydrophobicContact CB-CE2 3.45Å; V471-F474 VanDerWaalsContact CB-CE2 3.45Å; V471-F474 HydrophobicContact CB-CZ 3.64Å; V471-F474 HydrophobicContact CG1-CD1 4.35Å; V471-F474 HydrophobicContact CG1-CD2 3.67Å; V471-F474 HydrophobicContact CG1-CE1 4.22Å; V471-F474 HydrophobicContact CG1-CE2 3.57Å; V471-F474 HydrophobicContact CG1-CG 4.1Å; V471-F474 HydrophobicContact CG1-CZ 3.85Å; V471-F474 HydrophobicContact CG2-CE1 4.27Å; V471-F474 HydrophobicContact CG2-CE2 4.05Å; V471-F474 HydrophobicContact CG2-CZ 3.68Å
475	L	97.7	Very high	88.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.4	177.1	-56.1	-177.7	0	0	0	110.1	L116 W137 F159 L162 I442 H443 G444 G445 W518	L116-L475 HydrophobicContact CB-CD2 4.27Å; L116-L475 HydrophobicContact CD1-CD2 4.47Å; W137-L475 HydrophobicContact CH2-CD1 4.42Å; W137-L475 HydrophobicContact CZ2-CD1 4.26Å; F159-L475 HydrophobicContact CE1-CB 4.03Å; F159-L475 WeakPolarHBondContact CZ-O 3.46Å; L162-L475 HydrophobicContact CD1-CD1 4.33Å; I442-L475 HydrophobicContact CD1-CD1 4.43Å; I442-L475 HydrophobicContact CG2-CD1 3.65Å; I442-L475 HydrophobicContact CG2-CG 3.89Å; H443-L475 PolarHBondContact O-N 3.19Å; G444-L475 WeakPolarHBondContact CA-O 3.49Å; G445-L475 PolarHBondContact N-O 2.61Å; L475-W518 HydrophobicContact CB-CH2 4.1Å; L475-W518 HydrophobicContact CB-CZ3 4.22Å; L475-W518 HydrophobicContact CD2-CH2 3.79Å; L475-W518 HydrophobicContact CD2-CZ2 4.32Å; L475-W518 HydrophobicContact CG-CH2 4.43Å
476	H	96.8	Very high	86.9	Confident	7 Å²	7	41.9 Å²	41.9	3%	0.032	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124	177.1	-63.4	92	0	0	0	111.5	S119 G445 R450 H454 W518	S119-H476 WeakPolarHBondContact CB-ND1 3.38Å; S119-H476 PolarHBondContact OG-ND1 3.35Å; G445-H476 VanDerWaalsContact O-CA 3.25Å; G445-H476 WeakPolarHBondContact O-CA 3.25Å; R450-H476 WeakPolarHBondContact CA-NE2 3.38Å; H454-H476 AromaticContact CE1-CD2 3.82Å; H454-H476 AromaticContact CE1-NE2 3.48Å; H454-H476 PolarHBondContact CE1-NE2 3.18Å; H454-H476 AromaticContact CG-NE2 3.84Å; H454-H476 AromaticContact ND1-CD2 3.6Å; H454-H476 AromaticContact ND1-CE1 3.73Å; H454-H476 AromaticContact ND1-NE2 2.8Å; H454-H476 PolarHBondContact ND1-NE2 3.33Å; H476-W518 WeakPolarHBondContact O-CZ3 3.26Å
477	T	95.4	Very high	85.7	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	141.5	176.6	55.7	0	0	0	0	111	S155 F159 G445 F447 W518	S155-T477 PolarHBondContact OG-OG1 2.8Å; F159-T477 HydrophobicContact CD1-CG2 4.19Å; F159-T477 HydrophobicContact CD2-CG2 4.19Å; F159-T477 HydrophobicContact CE1-CG2 3.82Å; F159-T477 HydrophobicContact CE2-CG2 3.79Å; F159-T477 HydrophobicContact CG-CG2 4.38Å; F159-T477 HydrophobicContact CZ-CG2 3.59Å; G445-T477 PolarHBondContact O-N 3.23Å; G445-T477 VanDerWaalsContact O-N 3.07Å; F447-T477 WeakPolarHBondContact CB-O 3.39Å; F447-T477 PolarHBondContact N-O 2.91Å; T477-W518 WeakPolarHBondContact CA-O 3.22Å; T477-W518 HydrophobicContact CG2-CE3 4.37Å
478	G	90.3	Very high	84.5	Confident	3 Å²	3	37.1 Å²	37.1	3%	0.031	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-67	158.7	177.9	0	0	0	0	0	113	W518 K519	G478-W518 PolarHBondContact N-O 3.2Å; G478-W518 VanDerWaalsContact N-O 3.07Å; G478-K519 VanDerWaalsContact CA-O 3.29Å; G478-K519 WeakPolarHBondContact CA-O 3.42Å; G478-K519 PolarHBondContact N-O 3.13Å
479	H	86.9	Confident	83.5	Confident	45 Å²	45	33.3 Å²	33.3	21%	0.208	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-67.7	163.7	179.5	-62.9	104.3	0	0	0	112.9	F447 D448 T521 L522	F447-H479 AromaticContact CD1-CE1 3.2Å; F447-H479 WeakPolarHBondContact CD1-CE1 3.25Å; F447-H479 AromaticContact CD1-NE2 3.94Å; F447-H479 AromaticContact CG-CE1 3.77Å; D448-H479 IonicContact OD1-CD2 2.86Å; D448-H479 IonicContact OD1-CE1 3.25Å; D448-H479 IonicContact OD1-NE2 3.44Å; D448-H479 PolarHBondContact OD1-NE2 2.97Å; D448-H479 IonicContact OD2-CD2 3.76Å; D448-H479 PolarHBondContact OD2-CD2 2.81Å; D448-H479 IonicContact OD2-NE2 3.64Å; D448-H479 PolarHBondContact OD2-NE2 3.39Å; D448-H479 VanDerWaalsContact OD2-NE2 3.13Å; H479-T521 HydrophobicContact CB-CG2 4.17Å; H479-T521 WeakPolarHBondContact O-CA 3.36Å; H479-L522 PolarHBondContact O-N 2.81Å
480	L	86.8	Confident	82.2	Confident	10 Å²	10	36 Å²	36	5%	0.052	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.3	166.5	-161.6	77.1	0	0	0	109.9	M150 R154 M487 F513 L522 Y524	M150-L480 HydrophobicContact CB-CD2 3.54Å; M150-L480 HydrophobicContact CE-CD2 4.25Å; R154-L480 HydrophobicContact CB-CB 4.25Å; R154-L480 HydrophobicContact CB-CD1 4.37Å; R154-L480 HydrophobicContact CG-CB 4.39Å; R154-L480 HydrophobicContact CG-CD1 4.35Å; L480-M487 HydrophobicContact CB-CE 3.63Å; L480-M487 HydrophobicContact CD2-CE 3.29Å; L480-M487 HydrophobicContact CG-CE 3.69Å; L480-F513 HydrophobicContact CD1-CE1 4.29Å; L480-L522 CarbonylContact C-O 3.36Å; L480-L522 WeakPolarHBondContact CA-O 3.43Å; L480-L522 HydrophobicContact CD1-CB 3.78Å; L480-L522 HydrophobicContact CD1-CD2 3.67Å; L480-L522 HydrophobicContact CD1-CG 3.65Å; L480-L522 WeakPolarHBondContact CD1-O 3.47Å; L480-Y524 HydrophobicContact CD2-CG 4.48Å
481	T	85	Confident	80.5	Confident	26 Å²	26	38.1 Å²	38.1	16%	0.16	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	156.5	172.9	58	0	0	0	0	110.6	C485 T521 L522 D523 Y524	T481-C485 WeakPolarHBondContact CA-O 3.5Å; T481-C485 WeakPolarHBondContact CB-O 3.31Å; T481-T521 HydrophobicContact CG2-CG2 3.96Å; T481-L522 PolarHBondContact N-O 3.39Å; T481-D523 WeakPolarHBondContact OG1-CA 3.48Å; T481-D523 PolarHBondContact OG1-OD1 2.9Å; T481-Y524 PolarHBondContact O-N 3.22Å
482	I	77.3	Confident	79.1	Confident	42 Å²	42	42.7 Å²	42.7	22%	0.215	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.2	168.3	-63.6	179.7	0	0	0	107.2	G484 C485 M487 I495 Y524	I482-G484 PolarHBondContact O-N 3.12Å; I482-C485 PolarHBondContact N-O 3.13Å; I482-C485 PolarHBondContact O-N 3.2Å; I482-M487 HydrophobicContact CB-CG 4.42Å; I482-M487 HydrophobicContact CD1-CE 4.37Å; I482-M487 HydrophobicContact CD1-CG 3.62Å; I482-M487 HydrophobicContact CD1-SD 3.25Å; I482-M487 WeakPolarHBondContact CD1-SD 3.42Å; I482-M487 HydrophobicContact CG1-CE 4.33Å; I482-M487 HydrophobicContact CG1-CG 3.75Å; I482-M487 HydrophobicContact CG1-SD 3.74Å; I482-I495 HydrophobicContact CD1-CB 4.41Å; I482-I495 HydrophobicContact CD1-CD1 3.47Å; I482-I495 VanDerWaalsContact CD1-CD1 3.47Å; I482-I495 HydrophobicContact CD1-CG1 3.68Å; I482-Y524 HydrophobicContact CD1-CD1 4.31Å; I482-Y524 HydrophobicContact CG1-CD1 4.19Å
483	A	67.5	Low	77.8	Confident	87 Å²	87	41.4 Å²	41.4	72%	0.719	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	37.4	-177.6	0	0	0	0	0	112.6	C485 D523	A483-C485 PolarHBondContact O-N 2.89Å; A483-D523 PolarHBondContact N-OD1 3.42Å
484	G	64.8	Low	76.8	Confident	61 Å²	61	42.2 Å²	42.2	63%	0.629	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	-5.9	-177.7	0	0	0	0	0	115.7	I482 D523	I482-G484 PolarHBondContact O-N 3.12Å; G484-D523 PolarHBondContact N-OD1 2.87Å
485	C	63.3	Low	76.3	Confident	76 Å²	76	44 Å²	44	51%	0.514	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	140.3	175.3	-67.4	0	0	0	0	111.4	T481 I482 A483 M487	T481-C485 WeakPolarHBondContact CA-O 3.5Å; T481-C485 WeakPolarHBondContact CB-O 3.31Å; I482-C485 PolarHBondContact N-O 3.13Å; I482-C485 PolarHBondContact O-N 3.2Å; A483-C485 PolarHBondContact O-N 2.89Å; C485-M487 PolarHBondContact O-N 3.36Å
486	K	65.6	Low	76.1	Confident	112 Å²	112	45.3 Å²	45.3	49%	0.487	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	127.9	171.3	-174.5	176.7	-175.9	172.6	0	109.1	D448	D448-K486 IonicContact OD1-NZ 3.57Å; D448-K486 PolarHBondContact OD1-NZ 2.9Å; D448-K486 IonicContact OD2-NZ 2.86Å; D448-K486 PolarHBondContact OD2-NZ 2.92Å
487	M	67.8	Low	75.9	Confident	15 Å²	15	45 Å²	45	7%	0.074	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-70.7	133.5	169.3	-74.3	-170.2	-74.2	0	0	110.2	M150 L480 I482 C485	M150-M487 HydrophobicContact CB-CE 3.93Å; M150-M487 HydrophobicContact CB-SD 4.23Å; L480-M487 HydrophobicContact CB-CE 3.63Å; L480-M487 HydrophobicContact CD2-CE 3.29Å; L480-M487 HydrophobicContact CG-CE 3.69Å; I482-M487 HydrophobicContact CB-CG 4.42Å; I482-M487 HydrophobicContact CD1-CE 4.37Å; I482-M487 HydrophobicContact CD1-CG 3.62Å; I482-M487 HydrophobicContact CD1-SD 3.25Å; I482-M487 WeakPolarHBondContact CD1-SD 3.42Å; I482-M487 HydrophobicContact CG1-CE 4.33Å; I482-M487 HydrophobicContact CG1-CG 3.75Å; I482-M487 HydrophobicContact CG1-SD 3.74Å; C485-M487 PolarHBondContact O-N 3.36Å
488	S	65.8	Low	75.9	Confident	25 Å²	25	49.6 Å²	49.6	18%	0.175	29%	0.287	C	S	.	.			trans	-146.9	145.7	169.4	73.2	0	0	0	0	112.4	S490 L491 K492 N493	S488-S490 WeakPolarHBondContact CB-OG 3.35Å; S488-S490 PolarHBondContact O-N 3.23Å; S488-S490 PolarHBondContact OG-OG 3.35Å; S488-L491 PolarHBondContact O-N 2.95Å; S488-L491 WeakPolarHBondContact OG-CB 3.5Å; S488-L491 WeakPolarHBondContact OG-CG 3.25Å; S488-L491 PolarHBondContact OG-N 3.41Å; S488-K492 PolarHBondContact O-N 2.85Å; S488-N493 PolarHBondContact N-OD1 2.94Å; S488-N493 VanDerWaalsContact N-OD1 3.13Å; S488-N493 PolarHBondContact O-OD1 2.9Å
489	K	68.6	Low	76	Confident	30 Å²	30	53.5 Å²	53.5	13%	0.13	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-59.2	-33.8	173.1	-70.5	-176.6	171	-175.2	0	111.7	Y145 D146 A147 L491 K492 F494	Y145-K489 HydrophobicContact CE1-CD 3.97Å; Y145-K489 HydrophobicContact CE2-CD 4.24Å; Y145-K489 WeakPolarHBondContact OH-CB 3.48Å; Y145-K489 WeakPolarHBondContact OH-CD 3.27Å; D146-K489 HydrophobicContact CB-CD 4.35Å; D146-K489 PolarHBondContact O-NZ 2.6Å; A147-K489 WeakPolarHBondContact O-CE 3.35Å; A147-K489 PolarHBondContact O-NZ 3.34Å; K489-L491 VanDerWaalsContact C-N 3.31Å; K489-L491 PolarHBondContact O-N 3.38Å; K489-K492 PolarHBondContact O-N 3.42Å; K489-K492 VanDerWaalsContact O-N 3.14Å; K489-F494 HydrophobicContact CB-CD1 4.49Å; K489-F494 HydrophobicContact CB-CE1 4.36Å; K489-F494 HydrophobicContact CG-CD1 4.2Å; K489-F494 HydrophobicContact CG-CE1 4.11Å; K489-F494 HydrophobicContact CG-CZ 4.5Å
490	S	61.9	Low	76.2	Confident	89 Å²	89	51.3 Å²	51.3	62%	0.622	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-64.2	-30.6	177.8	41.5	0	0	0	0	114.2	S488 K492	S488-S490 WeakPolarHBondContact CB-OG 3.35Å; S488-S490 PolarHBondContact O-N 3.23Å; S488-S490 PolarHBondContact OG-OG 3.35Å; S490-K492 VanDerWaalsContact C-N 3.33Å
491	L	61	Low	76.5	Confident	44 Å²	44	53.2 Å²	53.2	23%	0.23	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-88.9	-1	177.4	-65.7	179.8	0	0	0	112.7	D232 S488 K489 N493	D232-L491 HydrophobicContact CB-CD2 3.47Å; D232-L491 VanDerWaalsContact CB-CD2 3.47Å; S488-L491 PolarHBondContact O-N 2.95Å; S488-L491 WeakPolarHBondContact OG-CB 3.5Å; S488-L491 WeakPolarHBondContact OG-CG 3.25Å; S488-L491 PolarHBondContact OG-N 3.41Å; K489-L491 VanDerWaalsContact C-N 3.31Å; K489-L491 PolarHBondContact O-N 3.38Å; L491-N493 HydrophobicContact CB-CB 4.24Å; L491-N493 PolarHBondContact O-N 3.24Å
492	K	67.6	Low	76.9	Confident	104 Å²	104	56 Å²	56	45%	0.452	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.4	29.1	-172.9	-66.3	-171.6	176.9	-176.9	0	113	M236 D277 S488 K489 S490	M236-K492 HydrophobicContact CG-CD 4.47Å; M236-K492 HydrophobicContact SD-CD 3.89Å; M236-K492 HydrophobicContact SD-CG 3.98Å; D277-K492 IonicContact OD2-NZ 3.14Å; D277-K492 PolarHBondContact OD2-NZ 3.11Å; S488-K492 PolarHBondContact O-N 2.85Å; K489-K492 PolarHBondContact O-N 3.42Å; K489-K492 VanDerWaalsContact O-N 3.14Å; S490-K492 VanDerWaalsContact C-N 3.33Å
493	N	67.5	Low	77.5	Confident	67 Å²	67	61.5 Å²	61.5	36%	0.358	36%	0.355	S	S	.	.			trans	-108.2	20	-175	72.6	-12.4	0	0	0	112.7	S488 L491	S488-N493 PolarHBondContact N-OD1 2.94Å; S488-N493 VanDerWaalsContact N-OD1 3.13Å; S488-N493 PolarHBondContact O-OD1 2.9Å; L491-N493 HydrophobicContact CB-CB 4.24Å; L491-N493 PolarHBondContact O-N 3.24Å
494	F	78.4	Confident	78.6	Confident	41 Å²	41	58.6 Å²	58.6	18%	0.18	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-92	146.7	-176.8	65.3	-87.7	0	0	0	111.4	H149 K489 T496	H149-F494 HydrophobicContact CB-CB 4.08Å; H149-F494 HydrophobicContact CB-CD2 3.58Å; H149-F494 HydrophobicContact CB-CE2 4.4Å; H149-F494 HydrophobicContact CB-CG 4.19Å; K489-F494 HydrophobicContact CB-CD1 4.49Å; K489-F494 HydrophobicContact CB-CE1 4.36Å; K489-F494 HydrophobicContact CG-CD1 4.2Å; K489-F494 HydrophobicContact CG-CE1 4.11Å; K489-F494 HydrophobicContact CG-CZ 4.5Å; F494-T496 HydrophobicContact CD2-CG2 4.22Å; F494-T496 HydrophobicContact CE2-CG2 3.81Å
495	I	87.3	Confident	79.9	Confident	40 Å²	40	58 Å²	58	21%	0.205	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-92.9	121.7	170.8	-60.6	179.6	0	0	0	107.3	H149 M150 I482 D499 A500 Y524	H149-I495 CarbonylContact C-O 3.59Å; H149-I495 VanDerWaalsContact CA-O 3.3Å; H149-I495 WeakPolarHBondContact CA-O 3.39Å; H149-I495 WeakPolarHBondContact CB-O 3.41Å; M150-I495 HydrophobicContact CG-CB 4.1Å; M150-I495 HydrophobicContact CG-CG2 4.08Å; M150-I495 PolarHBondContact N-O 2.89Å; I482-I495 HydrophobicContact CD1-CB 4.41Å; I482-I495 HydrophobicContact CD1-CD1 3.47Å; I482-I495 VanDerWaalsContact CD1-CD1 3.47Å; I482-I495 HydrophobicContact CD1-CG1 3.68Å; I495-D499 HydrophobicContact CG2-CB 3.97Å; I495-A500 HydrophobicContact CG2-CB 4.14Å; I495-Y524 HydrophobicContact CD1-CD1 4.2Å; I495-Y524 HydrophobicContact CD1-CE1 3.82Å
496	T	92.2	Very high	81.4	Confident	26 Å²	26	55 Å²	55	16%	0.16	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-67.2	159.2	175	70	0	0	0	0	110.4	A147 S148 F494 K498 D499 A500	A147-T496 HydrophobicContact CB-CG2 4.25Å; S148-T496 WeakPolarHBondContact O-CA 3.38Å; F494-T496 HydrophobicContact CD2-CG2 4.22Å; F494-T496 HydrophobicContact CE2-CG2 3.81Å; T496-K498 PolarHBondContact O-N 2.92Å; T496-D499 WeakPolarHBondContact CB-OD2 3.46Å; T496-D499 PolarHBondContact N-OD2 2.74Å; T496-D499 PolarHBondContact O-N 2.74Å; T496-D499 WeakPolarHBondContact OG1-CB 3.43Å; T496-D499 PolarHBondContact OG1-N 3.44Å; T496-D499 PolarHBondContact OG1-OD2 3.13Å; T496-A500 PolarHBondContact O-N 2.82Å; T496-A500 VanDerWaalsContact O-N 3.08Å
497	I	94.1	Very high	82.8	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-40	175	-67.5	174.9	0	0	0	110.4	S148 A153 D311 M312 L315 D499 A500 L501	S148-I497 PolarHBondContact O-N 3.19Å; A153-I497 HydrophobicContact CB-CD1 4.1Å; A153-I497 HydrophobicContact CB-CG1 4.11Å; D311-I497 HydrophobicContact CB-CB 4.27Å; D311-I497 HydrophobicContact CB-CD1 3.94Å; D311-I497 HydrophobicContact CB-CG2 4.1Å; M312-I497 HydrophobicContact CE-CD1 3.59Å; L315-I497 HydrophobicContact CD1-CD1 3.8Å; L315-I497 HydrophobicContact CD1-CG1 4.3Å; L315-I497 HydrophobicContact CD1-CG2 3.72Å; L315-I497 HydrophobicContact CD2-CG2 4.07Å; L315-I497 HydrophobicContact CG-CG2 3.87Å; I497-D499 PolarHBondContact O-N 2.91Å; I497-A500 PolarHBondContact O-N 2.8Å; I497-L501 HydrophobicContact CG2-CD1 3.8Å; I497-L501 HydrophobicContact CG2-CG 4.26Å; I497-L501 WeakPolarHBondContact O-CB 3.37Å; I497-L501 WeakPolarHBondContact O-CG 3.25Å; I497-L501 PolarHBondContact O-N 2.82Å
498	K	93.8	Very high	84.1	Confident	99 Å²	99	52.8 Å²	52.8	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-59.9	-45.3	176.2	-64.5	-178.5	177.5	-178.2	0	112.5	E307 D311 T496 A500 L501 A502	E307-K498 IonicContact OE1-NZ 3.31Å; E307-K498 IonicContact OE2-NZ 3.02Å; E307-K498 PolarHBondContact OE2-NZ 3.4Å; D311-K498 WeakPolarHBondContact OD1-CE 3.4Å; T496-K498 PolarHBondContact O-N 2.92Å; K498-A500 VanDerWaalsContact C-N 3.3Å; K498-A500 PolarHBondContact O-N 3.28Å; K498-L501 PolarHBondContact O-N 3.17Å; K498-A502 PolarHBondContact O-N 3.12Å
499	D	92	Very high	85.5	Confident	84 Å²	84	51.6 Å²	51.6	45%	0.449	27%	0.273	S	S	.	.	H	α-helix	trans	-65.2	-35.1	177.5	-62.9	-39.4	0	0	0	112.3	I495 T496 I497	I495-D499 HydrophobicContact CG2-CB 3.97Å; T496-D499 WeakPolarHBondContact CB-OD2 3.46Å; T496-D499 PolarHBondContact N-OD2 2.74Å; T496-D499 PolarHBondContact O-N 2.74Å; T496-D499 WeakPolarHBondContact OG1-CB 3.43Å; T496-D499 PolarHBondContact OG1-N 3.44Å; T496-D499 PolarHBondContact OG1-OD2 3.13Å; I497-D499 PolarHBondContact O-N 2.91Å
500	A	92.3	Very high	86.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-69.1	-42.9	175.1	0	0	0	0	0	111.5	M150 I495 T496 I497 K498 A502 K503 N504 L509	M150-A500 HydrophobicContact CG-CB 3.96Å; M150-A500 HydrophobicContact SD-CB 3.38Å; M150-A500 WeakPolarHBondContact SD-CB 3.44Å; I495-A500 HydrophobicContact CG2-CB 4.14Å; T496-A500 PolarHBondContact O-N 2.82Å; T496-A500 VanDerWaalsContact O-N 3.08Å; I497-A500 PolarHBondContact O-N 2.8Å; K498-A500 VanDerWaalsContact C-N 3.3Å; K498-A500 PolarHBondContact O-N 3.28Å; A500-A502 VanDerWaalsContact C-N 3.29Å; A500-A502 PolarHBondContact O-N 3.37Å; A500-K503 PolarHBondContact O-N 2.73Å; A500-K503 VanDerWaalsContact O-N 3.1Å; A500-N504 PolarHBondContact O-N 3.35Å; A500-L509 HydrophobicContact CB-CD1 4.21Å
501	L	93.4	Very high	88.5	Confident	49 Å²	49	46 Å²	46	26%	0.257	24%	0.237	S	C	.	.	H	α-helix	trans	-68.4	-25.5	177.7	-74.4	175.3	0	0	0	113.4	A314 L315 I497 K498 K503 N504 A506 L509	A314-L501 HydrophobicContact CB-CD1 3.83Å; L315-L501 HydrophobicContact CD2-CD1 4.23Å; L315-L501 HydrophobicContact CD2-CD2 3.99Å; L315-L501 HydrophobicContact CD2-CG 4.28Å; I497-L501 HydrophobicContact CG2-CD1 3.8Å; I497-L501 HydrophobicContact CG2-CG 4.26Å; I497-L501 WeakPolarHBondContact O-CB 3.37Å; I497-L501 WeakPolarHBondContact O-CG 3.25Å; I497-L501 PolarHBondContact O-N 2.82Å; K498-L501 PolarHBondContact O-N 3.17Å; L501-K503 PolarHBondContact O-N 3.29Å; L501-N504 CarbonylContact C-O 3.48Å; L501-N504 VanDerWaalsContact CA-O 3.27Å; L501-N504 WeakPolarHBondContact CA-O 3.28Å; L501-N504 VanDerWaalsContact O-O 3.1Å; L501-A506 HydrophobicContact CD2-CB 3.91Å; L501-L509 HydrophobicContact CD2-CD1 3.85Å; L501-L509 HydrophobicContact CG-CD1 4.33Å
502	A	92.2	Very high	90.2	Very high	86 Å²	86	43.9 Å²	43.9	71%	0.711	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-22.5	171.2	0	0	0	0	0	112.8	K498 A500	K498-A502 PolarHBondContact O-N 3.12Å; A500-A502 VanDerWaalsContact C-N 3.29Å; A500-A502 PolarHBondContact O-N 3.37Å
503	K	90.1	Very high	91.6	Very high	157 Å²	157	39.2 Å²	39.2	68%	0.683	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104	-37.3	-178.3	-64.7	179.5	-176.7	176.3	0	113.2	A500 L501	A500-K503 PolarHBondContact O-N 2.73Å; A500-K503 VanDerWaalsContact O-N 3.1Å; L501-K503 PolarHBondContact O-N 3.29Å
504	N	91.4	Very high	93	Very high	26 Å²	26	36 Å²	36	14%	0.139	19%	0.189	C	C	.	.	S	Bend	trans	-134.2	152	-175.3	-58.4	-78.3	0	0	0	110.2	A500 L501 Q508 L509 M529	A500-N504 PolarHBondContact O-N 3.35Å; L501-N504 CarbonylContact C-O 3.48Å; L501-N504 VanDerWaalsContact CA-O 3.27Å; L501-N504 WeakPolarHBondContact CA-O 3.28Å; L501-N504 VanDerWaalsContact O-O 3.1Å; N504-Q508 HydrophobicContact CB-CB 4.3Å; N504-L509 HydrophobicContact CB-CD2 4.26Å; N504-L509 HydrophobicContact CB-CG 4.39Å; N504-M529 HydrophobicContact CB-CE 3.82Å
505	T	92.5	Very high	93.9	Very high	47 Å²	47	35.4 Å²	35.4	29%	0.288	19%	0.188	S	C	.	.			trans	-73.3	157.4	176.3	70.8	0	0	0	0	111.3	R507 Q508 L509	T505-R507 PolarHBondContact O-N 3.21Å; T505-Q508 WeakPolarHBondContact O-CB 3.39Å; T505-Q508 PolarHBondContact O-N 2.95Å; T505-Q508 VanDerWaalsContact OG1-CG 3.25Å; T505-Q508 WeakPolarHBondContact OG1-CG 3.43Å; T505-Q508 PolarHBondContact OG1-N 3.39Å; T505-L509 PolarHBondContact O-N 2.87Å; T505-L509 VanDerWaalsContact O-N 3.08Å
506	A	94.3	Very high	94.3	Very high	15 Å²	15	36.3 Å²	36.3	12%	0.124	19%	0.191	C	C	.	.	H	α-helix	trans	-54.5	-40.7	174	0	0	0	0	0	112.3	A314 L315 L501 Q508 L509 R510	A314-A506 WeakPolarHBondContact O-CB 3.2Å; L315-A506 HydrophobicContact CD2-CB 4.43Å; L501-A506 HydrophobicContact CD2-CB 3.91Å; A506-Q508 PolarHBondContact O-N 3.29Å; A506-L509 PolarHBondContact O-N 3.39Å; A506-R510 WeakPolarHBondContact O-CB 3.4Å; A506-R510 PolarHBondContact O-N 2.87Å
507	R	94.4	Very high	94.5	Very high	60 Å²	60	36.3 Å²	36.3	23%	0.226	19%	0.192	C	C	.	.	H	α-helix	trans	-59	-44.8	174.2	178.6	174.9	61.6	-152.7	1.6	112.2	T505 R510 L511 E536 A640 F649	T505-R507 PolarHBondContact O-N 3.21Å; R507-R510 PolarHBondContact O-N 3.26Å; R507-L511 HydrophobicContact CG-CD1 4.01Å; R507-L511 HydrophobicContact CG-CG 4.33Å; R507-L511 WeakPolarHBondContact O-CB 3.14Å; R507-L511 VanDerWaalsContact O-CG 3.3Å; R507-L511 WeakPolarHBondContact O-CG 3.42Å; R507-L511 PolarHBondContact O-N 3.21Å; R507-E536 IonicContact CZ-OE1 3.91Å; R507-E536 VanDerWaalsContact CZ-OE1 3.25Å; R507-E536 IonicContact CZ-OE2 2.7Å; R507-E536 IonicContact NE-OE1 2.87Å; R507-E536 PolarHBondContact NE-OE1 3.35Å; R507-E536 VanDerWaalsContact NE-OE1 3.14Å; R507-E536 IonicContact NE-OE2 3.94Å; R507-E536 PolarHBondContact NE-OE2 2.9Å; R507-E536 IonicContact NH2-OE1 2.94Å; R507-E536 PolarHBondContact NH2-OE1 2.93Å; R507-E536 IonicContact NH2-OE2 2.94Å; R507-A640 WeakPolarHBondContact CD-O 3.38Å; R507-A640 HydrophobicContact CG-CB 4.42Å; R507-A640 WeakPolarHBondContact CG-O 3.37Å; R507-F649 VanDerWaalsContact CD-CE1 3.46Å; R507-F649 VanDerWaalsContact NH1-CD1 3.34Å
508	Q	95.1	Very high	94.5	Very high	19 Å²	19	36.7 Å²	36.7	9%	0.089	19%	0.193	C	C	.	.	H	α-helix	trans	-64.3	-42.4	178.8	-71.2	165	-11.3	0	0	111.8	N504 T505 A506 R510 L511 A512 M529 A532 V533 E536	N504-Q508 HydrophobicContact CB-CB 4.3Å; T505-Q508 WeakPolarHBondContact O-CB 3.39Å; T505-Q508 PolarHBondContact O-N 2.95Å; T505-Q508 VanDerWaalsContact OG1-CG 3.25Å; T505-Q508 WeakPolarHBondContact OG1-CG 3.43Å; T505-Q508 PolarHBondContact OG1-N 3.39Å; A506-Q508 PolarHBondContact O-N 3.29Å; Q508-R510 VanDerWaalsContact C-N 3.33Å; Q508-R510 PolarHBondContact O-N 3.48Å; Q508-L511 PolarHBondContact O-N 2.95Å; Q508-A512 PolarHBondContact O-N 3.43Å; Q508-M529 HydrophobicContact CB-CE 4Å; Q508-A532 WeakPolarHBondContact O-CB 3.32Å; Q508-V533 HydrophobicContact CG-CG2 4.2Å; Q508-E536 WeakPolarHBondContact CG-OE2 3.09Å
509	L	95.7	Very high	94.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.3	-43.1	175.2	-64.2	174.4	0	0	0	111.2	M150 L315 A500 L501 N504 T505 A506 A512 F513 Y524 M529	M150-L509 HydrophobicContact CE-CD2 3.97Å; L315-L509 HydrophobicContact CD2-CD1 3.95Å; A500-L509 HydrophobicContact CB-CD1 4.21Å; L501-L509 HydrophobicContact CD2-CD1 3.85Å; L501-L509 HydrophobicContact CG-CD1 4.33Å; N504-L509 HydrophobicContact CB-CD2 4.26Å; N504-L509 HydrophobicContact CB-CG 4.39Å; T505-L509 PolarHBondContact O-N 2.87Å; T505-L509 VanDerWaalsContact O-N 3.08Å; A506-L509 PolarHBondContact O-N 3.39Å; L509-A512 WeakPolarHBondContact O-CB 3.49Å; L509-A512 PolarHBondContact O-N 3.28Å; L509-F513 WeakPolarHBondContact O-CG 3.48Å; L509-F513 PolarHBondContact O-N 2.94Å; L509-F513 VanDerWaalsContact O-N 3.14Å; L509-Y524 HydrophobicContact CD2-CE2 4.21Å; L509-M529 HydrophobicContact CD2-CE 3.74Å; L509-M529 HydrophobicContact CD2-SD 3.89Å; L509-M529 HydrophobicContact CG-CE 4.44Å
510	R	96.9	Very high	94.6	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-64.6	-44.2	176	178.2	178.2	-93.4	120.1	9.2	112.5	I157 D160 I161 L315 N316 A506 R507 Q508 A512 F513 L514 F638 G639	I157-R510 HydrophobicContact CG2-CB 4.31Å; I157-R510 HydrophobicContact CG2-CG 4.09Å; D160-R510 IonicContact OD2-CZ 3.2Å; D160-R510 IonicContact OD2-NH2 2.66Å; D160-R510 PolarHBondContact OD2-NH2 3.47Å; I161-R510 HydrophobicContact CD1-CG 4.27Å; L315-R510 VanDerWaalsContact O-CZ 3.24Å; L315-R510 PolarHBondContact O-NH1 3.26Å; L315-R510 PolarHBondContact O-NH2 3.47Å; N316-R510 VanDerWaalsContact C-NH2 3.25Å; N316-R510 PolarHBondContact ND2-NH1 2.92Å; N316-R510 VanDerWaalsContact ND2-NH1 3.14Å; N316-R510 PolarHBondContact O-NH2 3.39Å; A506-R510 WeakPolarHBondContact O-CB 3.4Å; A506-R510 PolarHBondContact O-N 2.87Å; R507-R510 PolarHBondContact O-N 3.26Å; Q508-R510 VanDerWaalsContact C-N 3.33Å; Q508-R510 PolarHBondContact O-N 3.48Å; R510-A512 VanDerWaalsContact C-N 3.3Å; R510-A512 PolarHBondContact O-N 2.84Å; R510-F513 PolarHBondContact O-N 3.42Å; R510-F513 VanDerWaalsContact O-N 3.13Å; R510-L514 HydrophobicContact CG-CD1 4.05Å; R510-L514 WeakPolarHBondContact O-CG 3.42Å; R510-L514 PolarHBondContact O-N 2.75Å; R510-F638 VanDerWaalsContact CD-O 3.22Å; R510-F638 WeakPolarHBondContact CD-O 3.36Å; R510-F638 PolarHBondContact NE-O 3.26Å; R510-G639 WeakPolarHBondContact CD-O 3.48Å; R510-G639 VanDerWaalsContact CZ-O 3.27Å; R510-G639 PolarHBondContact NE-O 2.99Å; R510-G639 PolarHBondContact NH1-O 2.87Å
511	L	97.3	Very high	94.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.7	-40.2	175.2	-73.6	173.3	0	0	0	111.5	R507 Q508 F513 L514 M515 A532 Y535 E536 M595 L635 A640	R507-L511 HydrophobicContact CG-CD1 4.01Å; R507-L511 HydrophobicContact CG-CG 4.33Å; R507-L511 WeakPolarHBondContact O-CB 3.14Å; R507-L511 VanDerWaalsContact O-CG 3.3Å; R507-L511 WeakPolarHBondContact O-CG 3.42Å; R507-L511 PolarHBondContact O-N 3.21Å; Q508-L511 PolarHBondContact O-N 2.95Å; L511-F513 VanDerWaalsContact C-N 3.32Å; L511-F513 PolarHBondContact O-N 3.48Å; L511-L514 HydrophobicContact CD2-CD1 4.2Å; L511-L514 PolarHBondContact O-N 3.48Å; L511-M515 WeakPolarHBondContact O-CG 3.21Å; L511-M515 PolarHBondContact O-N 3Å; L511-M515 VanDerWaalsContact O-N 3.15Å; L511-A532 HydrophobicContact CB-CB 4.22Å; L511-Y535 HydrophobicContact CD2-CD1 4.27Å; L511-Y535 HydrophobicContact CD2-CE1 4.5Å; L511-E536 HydrophobicContact CD1-CB 3.65Å; L511-E536 HydrophobicContact CD1-CG 4.07Å; L511-M595 HydrophobicContact CD2-CE 3.54Å; L511-L635 HydrophobicContact CD2-CD2 4.29Å; L511-A640 HydrophobicContact CD2-CB 4.19Å
512	A	96.5	Very high	94.5	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-55.9	-49.6	172.6	0	0	0	0	0	110.3	Q508 L509 R510 L514 M515 H516 M529 A532	Q508-A512 PolarHBondContact O-N 3.43Å; L509-A512 WeakPolarHBondContact O-CB 3.49Å; L509-A512 PolarHBondContact O-N 3.28Å; R510-A512 VanDerWaalsContact C-N 3.3Å; R510-A512 PolarHBondContact O-N 2.84Å; A512-L514 PolarHBondContact O-N 3.34Å; A512-M515 PolarHBondContact O-N 2.8Å; A512-H516 PolarHBondContact O-CD2 3.26Å; A512-M529 HydrophobicContact CB-CE 4.45Å; A512-M529 HydrophobicContact CB-SD 3.89Å; A512-A532 HydrophobicContact CB-CB 3.83Å
513	F	96.6	Very high	94.4	Very high	5 Å²	5	35.1 Å²	35.1	2%	0.022	18%	0.178	C	C	.	.	H	α-helix	trans	-66.8	-34.7	179.8	-61.2	-19	0	0	0	114.1	M150 A153 R154 I157 L480 L509 R510 L511 M515 H516 L522	M150-F513 HydrophobicContact CE-CE1 4.47Å; M150-F513 HydrophobicContact CE-CZ 3.84Å; A153-F513 HydrophobicContact CB-CE2 4.43Å; R154-F513 VanDerWaalsContact CA-CE2 3.5Å; R154-F513 HydrophobicContact CB-CE1 4.47Å; R154-F513 HydrophobicContact CB-CE2 4.3Å; R154-F513 HydrophobicContact CB-CZ 4.02Å; I157-F513 HydrophobicContact CB-CD2 3.83Å; I157-F513 HydrophobicContact CB-CE2 4.21Å; I157-F513 HydrophobicContact CD1-CD2 3.96Å; I157-F513 HydrophobicContact CD1-CE2 3.72Å; I157-F513 HydrophobicContact CG1-CD2 4.5Å; I157-F513 HydrophobicContact CG2-CD2 3.77Å; L480-F513 HydrophobicContact CD1-CE1 4.29Å; L509-F513 WeakPolarHBondContact O-CG 3.48Å; L509-F513 PolarHBondContact O-N 2.94Å; L509-F513 VanDerWaalsContact O-N 3.14Å; R510-F513 PolarHBondContact O-N 3.42Å; R510-F513 VanDerWaalsContact O-N 3.13Å; L511-F513 VanDerWaalsContact C-N 3.32Å; L511-F513 PolarHBondContact O-N 3.48Å; F513-M515 VanDerWaalsContact C-N 3.3Å; F513-M515 PolarHBondContact O-N 2.98Å; F513-H516 PolarHBondContact O-N 2.82Å; F513-L522 HydrophobicContact CD1-CD2 3.45Å; F513-L522 VanDerWaalsContact CD1-CD2 3.45Å; F513-L522 HydrophobicContact CE1-CD2 3.63Å
514	L	97.6	Very high	94.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.3	-34.3	176.2	-76.2	163.2	0	0	0	113	I161 R510 L511 A512 H516 T591 R592 M595 F638	I161-L514 HydrophobicContact CD1-CD2 3.69Å; I161-L514 HydrophobicContact CD1-CG 3.81Å; I161-L514 HydrophobicContact CG1-CD2 4.08Å; I161-L514 HydrophobicContact CG2-CD2 3.7Å; R510-L514 HydrophobicContact CG-CD1 4.05Å; R510-L514 WeakPolarHBondContact O-CG 3.42Å; R510-L514 PolarHBondContact O-N 2.75Å; L511-L514 HydrophobicContact CD2-CD1 4.2Å; L511-L514 PolarHBondContact O-N 3.48Å; A512-L514 PolarHBondContact O-N 3.34Å; L514-H516 PolarHBondContact O-N 3.43Å; L514-T591 HydrophobicContact CD2-CG2 3.84Å; L514-T591 CarbonylContact O-C 3.37Å; L514-T591 WeakPolarHBondContact O-CB 3.49Å; L514-T591 PolarHBondContact O-OG1 3.47Å; L514-R592 WeakPolarHBondContact O-CA 3.34Å; L514-R592 PolarHBondContact O-N 3.13Å; L514-M595 HydrophobicContact CB-CE 4.16Å; L514-M595 HydrophobicContact CB-CG 4.06Å; L514-M595 HydrophobicContact CB-SD 4.29Å; L514-M595 HydrophobicContact CD1-CE 4.4Å; L514-M595 HydrophobicContact CD1-SD 4.47Å; L514-F638 HydrophobicContact CD1-CB 3.72Å; L514-F638 HydrophobicContact CD1-CD2 4.29Å; L514-F638 HydrophobicContact CD1-CG 4.29Å; L514-F638 HydrophobicContact CD2-CB 3.78Å; L514-F638 HydrophobicContact CD2-CD1 4.14Å; L514-F638 HydrophobicContact CD2-CD2 4.04Å; L514-F638 HydrophobicContact CD2-CG 3.74Å; L514-F638 HydrophobicContact CG-CB 4.41Å
515	M	96.6	Very high	94.2	Very high	29 Å²	29	29.2 Å²	29.2	14%	0.143	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-0.8	179.4	-65.6	-176	-57.1	0	0	113.7	L511 A512 F513 A532 Y535 R592 M595	L511-M515 WeakPolarHBondContact O-CG 3.21Å; L511-M515 PolarHBondContact O-N 3Å; L511-M515 VanDerWaalsContact O-N 3.15Å; A512-M515 PolarHBondContact O-N 2.8Å; F513-M515 VanDerWaalsContact C-N 3.3Å; F513-M515 PolarHBondContact O-N 2.98Å; M515-A532 HydrophobicContact CE-CB 3.6Å; M515-Y535 HydrophobicContact SD-CD2 3.89Å; M515-Y535 HydrophobicContact SD-CG 3.97Å; M515-R592 WeakPolarHBondContact O-CD 3.49Å; M515-R592 VanDerWaalsContact O-CG 3.25Å; M515-R592 WeakPolarHBondContact O-CG 3.37Å; M515-M595 HydrophobicContact CG-CE 4.37Å
516	H	95.4	Very high	94	Very high	58 Å²	58	30.8 Å²	30.8	27%	0.269	17%	0.173	S	C	.	.	S	Bend	trans	-122.7	147.4	176.1	-69.9	-80.2	0	0	0	110.4	A512 F513 L514 W518 L522	A512-H516 PolarHBondContact O-CD2 3.26Å; F513-H516 PolarHBondContact O-N 2.82Å; L514-H516 PolarHBondContact O-N 3.43Å; H516-W518 PolarHBondContact O-N 3.37Å; H516-L522 HydrophobicContact CB-CD1 4.08Å; H516-L522 WeakPolarHBondContact CD2-CD1 3.34Å; H516-L522 VanDerWaalsContact CG-CD1 3.47Å
517	S	95.5	Very high	93.8	Very high	27 Å²	27	35.6 Å²	35.6	19%	0.189	20%	0.196	C	C	.	.			trans	-58.4	130.3	175.8	175	0	0	0	0	110	R154 K519 D520	R154-S517 PolarHBondContact NH2-O 3.37Å; S517-K519 VanDerWaalsContact C-N 3.26Å; S517-K519 PolarHBondContact O-N 2.96Å; S517-D520 WeakPolarHBondContact CB-OD2 3.36Å; S517-D520 PolarHBondContact O-N 3.32Å; S517-D520 PolarHBondContact OG-OD2 3.14Å
518	W	95.9	Very high	93.7	Very high	7 Å²	7	33.5 Å²	33.5	3%	0.027	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-27.6	-176.7	63.2	-98	0	0	0	113.2	L162 L475 H476 T477 G478 H516 N588	L162-W518 HydrophobicContact CD1-CD2 3.85Å; L162-W518 HydrophobicContact CD1-CE3 4.06Å; L162-W518 HydrophobicContact CD1-CG 4.22Å; L162-W518 HydrophobicContact CD1-CZ2 4.33Å; L162-W518 HydrophobicContact CD1-CZ3 4.43Å; L162-W518 HydrophobicContact CD2-CD2 4.5Å; L162-W518 HydrophobicContact CD2-CG 4.12Å; L475-W518 HydrophobicContact CB-CH2 4.1Å; L475-W518 HydrophobicContact CB-CZ3 4.22Å; L475-W518 HydrophobicContact CD2-CH2 3.79Å; L475-W518 HydrophobicContact CD2-CZ2 4.32Å; L475-W518 HydrophobicContact CG-CH2 4.43Å; H476-W518 WeakPolarHBondContact O-CZ3 3.26Å; T477-W518 WeakPolarHBondContact CA-O 3.22Å; T477-W518 HydrophobicContact CG2-CE3 4.37Å; G478-W518 PolarHBondContact N-O 3.2Å; G478-W518 VanDerWaalsContact N-O 3.07Å; H516-W518 PolarHBondContact O-N 3.37Å; W518-N588 VanDerWaalsContact CZ2-OD1 3.28Å; W518-N588 WeakPolarHBondContact CZ2-OD1 3.08Å; W518-N588 PolarHBondContact NE1-ND2 2.68Å; W518-N588 PolarHBondContact NE1-O 3.26Å
519	K	94.2	Very high	93.6	Very high	65 Å²	65	33 Å²	33	28%	0.283	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-21.7	-177.5	80.1	178.8	-176.5	63.8	0	113.7	Y117 G478 S517	Y117-K519 HydrophobicContact CD1-CD 4.2Å; Y117-K519 HydrophobicContact CG-CD 4.15Å; G478-K519 VanDerWaalsContact CA-O 3.29Å; G478-K519 WeakPolarHBondContact CA-O 3.42Å; G478-K519 PolarHBondContact N-O 3.13Å; S517-K519 VanDerWaalsContact C-N 3.26Å; S517-K519 PolarHBondContact O-N 2.96Å
520	D	93.3	Very high	93.5	Very high	70 Å²	70	38.5 Å²	38.5	37%	0.374	21%	0.214	S	C	.	.	S	Bend	trans	-94.1	154.3	-172.6	-59.4	-44.7	0	0	0	111.2	R154 S517 L522	R154-D520 PolarHBondContact NH2-O 3.37Å; R154-D520 VanDerWaalsContact NH2-O 3.1Å; S517-D520 WeakPolarHBondContact CB-OD2 3.36Å; S517-D520 PolarHBondContact O-N 3.32Å; S517-D520 PolarHBondContact OG-OD2 3.14Å; D520-L522 PolarHBondContact O-N 3.31Å
521	T	91.5	Very high	93.3	Very high	87 Å²	87	41.6 Å²	41.6	53%	0.534	24%	0.236	S	C	.	.			trans	-62.9	134	175.4	-58.7	0	0	0	0	110.4	H479 T481	H479-T521 HydrophobicContact CB-CG2 4.17Å; H479-T521 WeakPolarHBondContact O-CA 3.36Å; T481-T521 HydrophobicContact CG2-CG2 3.96Å
522	L	90.6	Very high	93.3	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.7	177.6	172.7	61.8	0	0	0	110.1	H479 L480 T481 F513 H516 D520 T528	H479-L522 PolarHBondContact O-N 2.81Å; L480-L522 CarbonylContact C-O 3.36Å; L480-L522 WeakPolarHBondContact CA-O 3.43Å; L480-L522 HydrophobicContact CD1-CB 3.78Å; L480-L522 HydrophobicContact CD1-CD2 3.67Å; L480-L522 HydrophobicContact CD1-CG 3.65Å; L480-L522 WeakPolarHBondContact CD1-O 3.47Å; T481-L522 PolarHBondContact N-O 3.39Å; F513-L522 HydrophobicContact CD1-CD2 3.45Å; F513-L522 VanDerWaalsContact CD1-CD2 3.45Å; F513-L522 HydrophobicContact CE1-CD2 3.63Å; H516-L522 HydrophobicContact CB-CD1 4.08Å; H516-L522 WeakPolarHBondContact CD2-CD1 3.34Å; H516-L522 VanDerWaalsContact CG-CD1 3.47Å; D520-L522 PolarHBondContact O-N 3.31Å; L522-T528 HydrophobicContact CD1-CG2 4.05Å
523	D	90	Very high	93.2	Very high	59 Å²	59	43 Å²	43	32%	0.316	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	117	168.6	-166.4	57.4	0	0	0	110.3	T481 A483 G484 S525 T528	T481-D523 WeakPolarHBondContact OG1-CA 3.48Å; T481-D523 PolarHBondContact OG1-OD1 2.9Å; A483-D523 PolarHBondContact N-OD1 3.42Å; G484-D523 PolarHBondContact N-OD1 2.87Å; D523-S525 PolarHBondContact O-N 2.89Å; D523-T528 PolarHBondContact O-OG1 3.35Å
524	Y	89.4	Confident	93.1	Very high	24 Å²	24	47.4 Å²	47.4	9%	0.094	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	110.6	175.3	-179.2	-101.1	0	0	0	109.4	M150 L480 T481 I482 I495 L509 M529	M150-Y524 HydrophobicContact CE-CD2 3.92Å; M150-Y524 HydrophobicContact CE-CE2 3.75Å; L480-Y524 HydrophobicContact CD2-CG 4.48Å; T481-Y524 PolarHBondContact O-N 3.22Å; I482-Y524 HydrophobicContact CD1-CD1 4.31Å; I482-Y524 HydrophobicContact CG1-CD1 4.19Å; I495-Y524 HydrophobicContact CD1-CD1 4.2Å; I495-Y524 HydrophobicContact CD1-CE1 3.82Å; L509-Y524 HydrophobicContact CD2-CE2 4.21Å; Y524-M529 HydrophobicContact CD2-CG 4.45Å; Y524-M529 HydrophobicContact CD2-SD 4.31Å; Y524-M529 HydrophobicContact CE2-CG 3.69Å; Y524-M529 HydrophobicContact CE2-SD 3.63Å
525	S	89.8	Confident	93	Very high	35 Å²	35	48.2 Å²	48.2	25%	0.245	27%	0.268	C	S	.	.			trans	-140.6	167.6	-177.4	75.4	0	0	0	0	111	D523 N527 T528 M529	D523-S525 PolarHBondContact O-N 2.89Å; S525-N527 PolarHBondContact O-N 2.92Å; S525-N527 PolarHBondContact OG-N 3.16Å; S525-T528 PolarHBondContact O-N 3.2Å; S525-T528 PolarHBondContact OG-N 3.26Å; S525-T528 VanDerWaalsContact OG-N 3.12Å; S525-T528 PolarHBondContact OG-OG1 3.38Å; S525-M529 PolarHBondContact O-N 3.29Å; S525-M529 VanDerWaalsContact O-N 3.17Å
526	A	88.4	Confident	92.9	Very high	80 Å²	80	47.6 Å²	47.6	66%	0.661	27%	0.265	S	S	*	.	H	α-helix	trans	-57.8	-39	172.1	0	0	0	0	0	111.7	M529 E530	A526-M529 PolarHBondContact O-N 3.15Å; A526-E530 WeakPolarHBondContact O-CB 3.45Å; A526-E530 PolarHBondContact O-N 3.19Å
527	N	89.8	Confident	92.8	Very high	115 Å²	115	48 Å²	48	62%	0.615	27%	0.266	S	S	*	.	H	α-helix	trans	-66.8	-39.2	179.8	-64.1	9.5	0	0	0	112.1	S525 M529 E530 S531	S525-N527 PolarHBondContact O-N 2.92Å; S525-N527 PolarHBondContact OG-N 3.16Å; N527-M529 VanDerWaalsContact C-N 3.31Å; N527-M529 PolarHBondContact O-N 3.35Å; N527-E530 PolarHBondContact O-N 3.01Å; N527-S531 PolarHBondContact O-N 3.28Å; N527-S531 PolarHBondContact O-OG 2.91Å
528	T	91.1	Very high	92.8	Very high	17 Å²	17	50 Å²	50	10%	0.104	27%	0.271	C	S	.	.	H	α-helix	trans	-60.1	-45.2	175.3	-52.7	0	0	0	0	110.1	L522 D523 S525 A532	L522-T528 HydrophobicContact CD1-CG2 4.05Å; D523-T528 PolarHBondContact O-OG1 3.35Å; S525-T528 PolarHBondContact O-N 3.2Å; S525-T528 PolarHBondContact OG-N 3.26Å; S525-T528 VanDerWaalsContact OG-N 3.12Å; S525-T528 PolarHBondContact OG-OG1 3.38Å; T528-A532 PolarHBondContact O-N 2.97Å
529	M	94	Very high	92.7	Very high	9 Å²	9	49.7 Å²	49.7	4%	0.044	27%	0.27	C	S	.	.	H	α-helix	trans	-71.2	-38.8	178.4	-68.6	-49.1	-53.5	0	0	112.9	N504 Q508 L509 A512 Y524 S525 A526 N527 S531 A532 V533	N504-M529 HydrophobicContact CB-CE 3.82Å; Q508-M529 HydrophobicContact CB-CE 4Å; L509-M529 HydrophobicContact CD2-CE 3.74Å; L509-M529 HydrophobicContact CD2-SD 3.89Å; L509-M529 HydrophobicContact CG-CE 4.44Å; A512-M529 HydrophobicContact CB-CE 4.45Å; A512-M529 HydrophobicContact CB-SD 3.89Å; Y524-M529 HydrophobicContact CD2-CG 4.45Å; Y524-M529 HydrophobicContact CD2-SD 4.31Å; Y524-M529 HydrophobicContact CE2-CG 3.69Å; Y524-M529 HydrophobicContact CE2-SD 3.63Å; S525-M529 PolarHBondContact O-N 3.29Å; S525-M529 VanDerWaalsContact O-N 3.17Å; A526-M529 PolarHBondContact O-N 3.15Å; N527-M529 VanDerWaalsContact C-N 3.31Å; N527-M529 PolarHBondContact O-N 3.35Å; M529-S531 VanDerWaalsContact C-N 3.27Å; M529-S531 PolarHBondContact O-N 2.74Å; M529-A532 WeakPolarHBondContact O-CB 3.41Å; M529-A532 PolarHBondContact O-N 2.71Å; M529-V533 WeakPolarHBondContact O-CG2 3.38Å; M529-V533 PolarHBondContact O-N 2.67Å
530	E	92.8	Very high	92.7	Very high	114 Å²	114	48.3 Å²	48.3	53%	0.533	27%	0.266	S	S	.	.	H	α-helix	trans	-57.7	-43.3	175.4	-176.3	174.6	-166.3	0	0	111	A526 N527 A532 V533 Q534	A526-E530 WeakPolarHBondContact O-CB 3.45Å; A526-E530 PolarHBondContact O-N 3.19Å; N527-E530 PolarHBondContact O-N 3.01Å; E530-A532 VanDerWaalsContact C-N 3.26Å; E530-A532 PolarHBondContact O-N 3Å; E530-V533 PolarHBondContact O-N 3.26Å; E530-Q534 HydrophobicContact CG-CG 4.36Å; E530-Q534 VanDerWaalsContact O-CG 3.3Å; E530-Q534 WeakPolarHBondContact O-CG 3.48Å; E530-Q534 PolarHBondContact O-N 3.15Å
531	S	94.1	Very high	92.7	Very high	67 Å²	67	47.6 Å²	47.6	47%	0.469	26%	0.26	S	S	.	.	H	α-helix	trans	-57.6	-40.5	175.6	-58.1	0	0	0	0	112	N527 M529 Q534 Y535	N527-S531 PolarHBondContact O-N 3.28Å; N527-S531 PolarHBondContact O-OG 2.91Å; M529-S531 VanDerWaalsContact C-N 3.27Å; M529-S531 PolarHBondContact O-N 2.74Å; S531-Q534 PolarHBondContact O-N 3.06Å; S531-Y535 WeakPolarHBondContact O-CB 3.37Å; S531-Y535 PolarHBondContact O-N 3.34Å
532	A	95.7	Very high	92.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-70.2	-41.3	179	0	0	0	0	0	112.3	Q508 L511 A512 M515 T528 M529 E530 Q534 Y535 E536	Q508-A532 WeakPolarHBondContact O-CB 3.32Å; L511-A532 HydrophobicContact CB-CB 4.22Å; A512-A532 HydrophobicContact CB-CB 3.83Å; M515-A532 HydrophobicContact CE-CB 3.6Å; T528-A532 PolarHBondContact O-N 2.97Å; M529-A532 WeakPolarHBondContact O-CB 3.41Å; M529-A532 PolarHBondContact O-N 2.71Å; E530-A532 VanDerWaalsContact C-N 3.26Å; E530-A532 PolarHBondContact O-N 3Å; A532-Q534 VanDerWaalsContact C-N 3.34Å; A532-Y535 PolarHBondContact O-N 3.31Å; A532-E536 PolarHBondContact O-N 3.39Å
533	V	94.3	Very high	93.1	Very high	29 Å²	29	43.2 Å²	43.2	18%	0.176	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-43.3	174.8	173.8	0	0	0	0	110.6	Q508 M529 E530 E536 K537	Q508-V533 HydrophobicContact CG-CG2 4.2Å; M529-V533 WeakPolarHBondContact O-CG2 3.38Å; M529-V533 PolarHBondContact O-N 2.67Å; E530-V533 PolarHBondContact O-N 3.26Å; V533-E536 PolarHBondContact O-N 3.11Å; V533-K537 HydrophobicContact CG1-CD 4.25Å; V533-K537 WeakPolarHBondContact O-CB 3.24Å; V533-K537 WeakPolarHBondContact O-CG 3.41Å; V533-K537 PolarHBondContact O-N 2.94Å
534	Q	94.6	Very high	93.1	Very high	99 Å²	99	40.8 Å²	40.8	46%	0.463	22%	0.22	S	C	.	.	H	α-helix	trans	-66.7	-40.1	177.9	-66.9	-58.3	-20.1	0	0	112.1	E530 S531 A532 K537 F538	E530-Q534 HydrophobicContact CG-CG 4.36Å; E530-Q534 VanDerWaalsContact O-CG 3.3Å; E530-Q534 WeakPolarHBondContact O-CG 3.48Å; E530-Q534 PolarHBondContact O-N 3.15Å; S531-Q534 PolarHBondContact O-N 3.06Å; A532-Q534 VanDerWaalsContact C-N 3.34Å; Q534-K537 PolarHBondContact O-N 2.98Å; Q534-F538 VanDerWaalsContact O-CB 3.27Å; Q534-F538 WeakPolarHBondContact O-CB 3.2Å; Q534-F538 PolarHBondContact O-N 3.37Å
535	Y	96.4	Very high	93.2	Very high	16 Å²	16	40.8 Å²	40.8	6%	0.063	22%	0.222	C	C	.	.	H	α-helix	trans	-61.1	-46.1	174.4	-168.7	-80.4	0	0	0	111.2	L511 M515 S531 A532 F538 M539 M595 R599	L511-Y535 HydrophobicContact CD2-CD1 4.27Å; L511-Y535 HydrophobicContact CD2-CE1 4.5Å; M515-Y535 HydrophobicContact SD-CD2 3.89Å; M515-Y535 HydrophobicContact SD-CG 3.97Å; S531-Y535 WeakPolarHBondContact O-CB 3.37Å; S531-Y535 PolarHBondContact O-N 3.34Å; A532-Y535 PolarHBondContact O-N 3.31Å; Y535-F538 PolarHBondContact O-N 2.87Å; Y535-M539 HydrophobicContact CD1-CG 3.75Å; Y535-M539 HydrophobicContact CE1-CG 3.39Å; Y535-M539 HydrophobicContact CE1-SD 4.03Å; Y535-M539 VanDerWaalsContact O-CG 3.32Å; Y535-M539 WeakPolarHBondContact O-CG 3.36Å; Y535-M539 PolarHBondContact O-N 2.96Å; Y535-M595 HydrophobicContact CD1-CE 3.81Å; Y535-M595 HydrophobicContact CE1-CE 3.22Å; Y535-M595 HydrophobicContact CE1-SD 4.34Å; Y535-M595 HydrophobicContact CE2-CB 4.37Å; Y535-M595 HydrophobicContact CE2-CE 4.2Å; Y535-M595 VanDerWaalsContact CZ-CE 3.47Å; Y535-M595 PolarHBondContact OH-O 3.49Å; Y535-R599 HydrophobicContact CE2-CB 3.87Å
536	E	94.8	Very high	93.3	Very high	16 Å²	16	39.1 Å²	39.1	8%	0.075	21%	0.21	C	C	.	.	H	α-helix	trans	-58.4	-50.1	176.1	-172.9	178.5	131.3	0	0	111.7	R507 Q508 L511 A532 V533 F538 M539 N540 F649	R507-E536 IonicContact CZ-OE1 3.91Å; R507-E536 VanDerWaalsContact CZ-OE1 3.25Å; R507-E536 IonicContact CZ-OE2 2.7Å; R507-E536 IonicContact NE-OE1 2.87Å; R507-E536 PolarHBondContact NE-OE1 3.35Å; R507-E536 VanDerWaalsContact NE-OE1 3.14Å; R507-E536 IonicContact NE-OE2 3.94Å; R507-E536 PolarHBondContact NE-OE2 2.9Å; R507-E536 IonicContact NH2-OE1 2.94Å; R507-E536 PolarHBondContact NH2-OE1 2.93Å; R507-E536 IonicContact NH2-OE2 2.94Å; Q508-E536 WeakPolarHBondContact CG-OE2 3.09Å; L511-E536 HydrophobicContact CD1-CB 3.65Å; L511-E536 HydrophobicContact CD1-CG 4.07Å; A532-E536 PolarHBondContact O-N 3.39Å; V533-E536 PolarHBondContact O-N 3.11Å; E536-F538 VanDerWaalsContact C-N 3.33Å; E536-F538 PolarHBondContact O-N 3.48Å; E536-M539 PolarHBondContact O-N 3.25Å; E536-N540 VanDerWaalsContact O-CB 3.28Å; E536-N540 WeakPolarHBondContact O-CB 3.43Å; E536-N540 PolarHBondContact O-N 3.26Å; E536-F649 HydrophobicContact CG-CE2 3.97Å; E536-F649 HydrophobicContact CG-CZ 4.26Å
537	K	92.1	Very high	93.4	Very high	67 Å²	67	36.2 Å²	36.2	29%	0.291	18%	0.183	S	C	.	.	H	α-helix	trans	-57.5	-46.2	177.8	-75.8	-178.9	177.5	-175.1	0	111.3	V533 Q534 N540 E541	V533-K537 HydrophobicContact CG1-CD 4.25Å; V533-K537 WeakPolarHBondContact O-CB 3.24Å; V533-K537 WeakPolarHBondContact O-CG 3.41Å; V533-K537 PolarHBondContact O-N 2.94Å; Q534-K537 PolarHBondContact O-N 2.98Å; K537-N540 PolarHBondContact O-N 3.46Å; K537-E541 VanDerWaalsContact O-CB 3.29Å; K537-E541 WeakPolarHBondContact O-CB 3.37Å; K537-E541 PolarHBondContact O-N 3.43Å
538	F	95.6	Very high	93.2	Very high	69 Å²	69	32.4 Å²	32.4	30%	0.303	16%	0.162	S	C	.	.	H	α-helix	trans	-60.3	-46.8	179	175.2	-102.5	0	0	0	112.6	Q534 Y535 E536 F542 R599 V602	Q534-F538 VanDerWaalsContact O-CB 3.27Å; Q534-F538 WeakPolarHBondContact O-CB 3.2Å; Q534-F538 PolarHBondContact O-N 3.37Å; Y535-F538 PolarHBondContact O-N 2.87Å; E536-F538 VanDerWaalsContact C-N 3.33Å; E536-F538 PolarHBondContact O-N 3.48Å; F538-F542 PolarHBondContact O-N 3.23Å; F538-R599 HydrophobicContact CD1-CG 4.24Å; F538-R599 HydrophobicContact CE1-CB 4.36Å; F538-R599 HydrophobicContact CE1-CG 3.7Å; F538-R599 HydrophobicContact CZ-CG 4.32Å; F538-V602 HydrophobicContact CD1-CG1 4.17Å; F538-V602 HydrophobicContact CE1-CB 3.64Å; F538-V602 HydrophobicContact CE1-CG1 3.38Å; F538-V602 HydrophobicContact CE2-CG1 4.23Å; F538-V602 HydrophobicContact CZ-CB 3.94Å; F538-V602 HydrophobicContact CZ-CG1 3.43Å; F538-V602 VanDerWaalsContact CZ-CG1 3.43Å
539	M	95.3	Very high	93.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.9	-43.6	177.4	-66.7	-61.5	-69.6	0	0	111.7	Y535 E536 E541 F542 F543 M598 V602 L631 L635 F649	Y535-M539 HydrophobicContact CD1-CG 3.75Å; Y535-M539 HydrophobicContact CE1-CG 3.39Å; Y535-M539 HydrophobicContact CE1-SD 4.03Å; Y535-M539 VanDerWaalsContact O-CG 3.32Å; Y535-M539 WeakPolarHBondContact O-CG 3.36Å; Y535-M539 PolarHBondContact O-N 2.96Å; E536-M539 PolarHBondContact O-N 3.25Å; M539-E541 VanDerWaalsContact C-N 3.33Å; M539-E541 PolarHBondContact O-N 3.03Å; M539-F542 WeakPolarHBondContact O-CB 3.28Å; M539-F542 PolarHBondContact O-N 3.32Å; M539-F543 HydrophobicContact CB-CE2 4.1Å; M539-F543 HydrophobicContact CE-CE2 4.34Å; M539-F543 HydrophobicContact CE-CZ 4.03Å; M539-F543 WeakPolarHBondContact O-CD2 3.13Å; M539-F543 WeakPolarHBondContact O-CG 3.46Å; M539-F543 PolarHBondContact O-N 3.35Å; M539-M598 HydrophobicContact CE-CE 4.34Å; M539-V602 HydrophobicContact CE-CG2 3.97Å; M539-V602 HydrophobicContact SD-CB 4.48Å; M539-V602 HydrophobicContact SD-CG2 3.7Å; M539-L631 HydrophobicContact CE-CB 4.25Å; M539-L631 HydrophobicContact CE-CD1 4.21Å; M539-L631 HydrophobicContact CE-CD2 4.22Å; M539-L631 HydrophobicContact CE-CG 4.47Å; M539-L635 HydrophobicContact CE-CD1 4.13Å; M539-F649 HydrophobicContact CB-CE2 4.07Å; M539-F649 HydrophobicContact CB-CZ 4.44Å
540	N	92.8	Very high	92.8	Very high	36 Å²	36	33.9 Å²	33.9	19%	0.193	17%	0.17	C	C	.	.	H	α-helix	trans	-61	-44.8	-180	-167.1	42.8	0	0	0	111.4	E536 K537 F542 F543 L544 F649	E536-N540 VanDerWaalsContact O-CB 3.28Å; E536-N540 WeakPolarHBondContact O-CB 3.43Å; E536-N540 PolarHBondContact O-N 3.26Å; K537-N540 PolarHBondContact O-N 3.46Å; N540-F542 VanDerWaalsContact C-N 3.31Å; N540-F542 PolarHBondContact O-N 2.98Å; N540-F543 PolarHBondContact O-N 2.88Å; N540-F543 VanDerWaalsContact O-N 3.12Å; N540-L544 WeakPolarHBondContact O-CG 3.38Å; N540-L544 PolarHBondContact O-N 3.43Å; N540-F649 HydrophobicContact CB-CD2 3.79Å; N540-F649 HydrophobicContact CB-CE2 4.13Å
541	E	93.1	Very high	92.4	Very high	55 Å²	55	32 Å²	32	26%	0.257	16%	0.158	S	C	.	.	H	α-helix	trans	-59.4	-42.2	177.8	-176	51.8	-139.2	0	0	111.8	K537 M539 L544 N545 R706 K718	K537-E541 VanDerWaalsContact O-CB 3.29Å; K537-E541 WeakPolarHBondContact O-CB 3.37Å; K537-E541 PolarHBondContact O-N 3.43Å; M539-E541 VanDerWaalsContact C-N 3.33Å; M539-E541 PolarHBondContact O-N 3.03Å; E541-L544 PolarHBondContact O-N 2.84Å; E541-N545 WeakPolarHBondContact O-CB 3.11Å; E541-N545 VanDerWaalsContact O-CG 3.27Å; E541-N545 PolarHBondContact O-N 2.84Å; E541-N545 PolarHBondContact O-ND2 3.46Å; E541-N545 PolarHBondContact OE1-ND2 3.03Å; E541-N545 PolarHBondContact OE1-OD1 3.1Å; E541-R706 IonicContact OE2-NH1 3.43Å; E541-K718 IonicContact OE1-NZ 3.44Å; E541-K718 PolarHBondContact OE1-NZ 2.97Å; E541-K718 IonicContact OE2-NZ 3.36Å
542	F	95.8	Very high	91.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-47.9	172.3	169.9	-105.7	0	0	0	112.4	F538 M539 N540 L544 N545 V546 V602 S605 I609 I627 A628 L631	F538-F542 PolarHBondContact O-N 3.23Å; M539-F542 WeakPolarHBondContact O-CB 3.28Å; M539-F542 PolarHBondContact O-N 3.32Å; N540-F542 VanDerWaalsContact C-N 3.31Å; N540-F542 PolarHBondContact O-N 2.98Å; F542-L544 VanDerWaalsContact C-N 3.33Å; F542-L544 PolarHBondContact O-N 3.49Å; F542-N545 PolarHBondContact O-N 2.68Å; F542-V546 HydrophobicContact CD2-CG2 4.09Å; F542-V546 HydrophobicContact CE1-CG2 4.05Å; F542-V546 HydrophobicContact CE2-CG2 3.55Å; F542-V546 HydrophobicContact CZ-CG2 3.54Å; F542-V546 WeakPolarHBondContact O-CG2 3.48Å; F542-V546 PolarHBondContact O-N 3.46Å; F542-V602 HydrophobicContact CB-CG1 3.47Å; F542-V602 VanDerWaalsContact CB-CG1 3.47Å; F542-V602 HydrophobicContact CB-CG2 4.46Å; F542-V602 HydrophobicContact CD1-CG1 4.23Å; F542-V602 HydrophobicContact CD1-CG2 3.8Å; F542-V602 HydrophobicContact CD2-CG1 3.89Å; F542-V602 HydrophobicContact CE1-CG2 4.19Å; F542-V602 HydrophobicContact CG-CB 4.37Å; F542-V602 HydrophobicContact CG-CG1 3.58Å; F542-V602 HydrophobicContact CG-CG2 4.02Å; F542-S605 VanDerWaalsContact CE2-CB 3.49Å; F542-I609 HydrophobicContact CE2-CD1 4.48Å; F542-I627 HydrophobicContact CE1-CG2 4.38Å; F542-I627 HydrophobicContact CZ-CG2 3.94Å; F542-A628 HydrophobicContact CE1-CB 4.08Å; F542-A628 HydrophobicContact CZ-CB 4.48Å; F542-L631 HydrophobicContact CD1-CD1 4.14Å; F542-L631 HydrophobicContact CE1-CD1 3.63Å; F542-L631 HydrophobicContact CZ-CD1 4.41Å
543	F	94.4	Very high	90.4	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	18%	0.184	C	C	.	.	H	α-helix	trans	-61	-41.6	179.2	-65.2	-50.7	0	0	0	112.4	M539 N540 V546 K547 A628 L631 L635 I647 F649	M539-F543 HydrophobicContact CB-CE2 4.1Å; M539-F543 HydrophobicContact CE-CE2 4.34Å; M539-F543 HydrophobicContact CE-CZ 4.03Å; M539-F543 WeakPolarHBondContact O-CD2 3.13Å; M539-F543 WeakPolarHBondContact O-CG 3.46Å; M539-F543 PolarHBondContact O-N 3.35Å; N540-F543 PolarHBondContact O-N 2.88Å; N540-F543 VanDerWaalsContact O-N 3.12Å; F543-V546 PolarHBondContact O-N 2.72Å; F543-K547 WeakPolarHBondContact O-CB 3.27Å; F543-K547 WeakPolarHBondContact O-CG 3.21Å; F543-K547 PolarHBondContact O-N 2.84Å; F543-A628 HydrophobicContact CD1-CB 4.19Å; F543-A628 HydrophobicContact CE1-CB 4.38Å; F543-L631 HydrophobicContact CE1-CB 3.97Å; F543-L631 HydrophobicContact CZ-CB 3.98Å; F543-L635 HydrophobicContact CE2-CD1 3.87Å; F543-L635 HydrophobicContact CZ-CD1 3.92Å; F543-I647 HydrophobicContact CB-CG2 4.24Å; F543-I647 HydrophobicContact CD1-CG2 3.81Å; F543-I647 HydrophobicContact CG-CG2 4.37Å; F543-F649 HydrophobicContact CD2-CD2 4.36Å; F543-F649 HydrophobicContact CD2-CE2 4.44Å; F543-F649 HydrophobicContact CE2-CE2 4.29Å
544	L	90.6	Very high	89.3	Confident	7 Å²	7	36 Å²	36	4%	0.037	19%	0.187	C	C	.	.	H	α-helix	trans	-63.3	-41.3	176.3	-67.6	171.8	0	0	0	111.8	N540 E541 F542 K547 D548 K718 L719 V720	N540-L544 WeakPolarHBondContact O-CG 3.38Å; N540-L544 PolarHBondContact O-N 3.43Å; E541-L544 PolarHBondContact O-N 2.84Å; F542-L544 VanDerWaalsContact C-N 3.33Å; F542-L544 PolarHBondContact O-N 3.49Å; L544-K547 PolarHBondContact O-N 3.47Å; L544-D548 WeakPolarHBondContact O-CB 3.33Å; L544-D548 PolarHBondContact O-N 3.11Å; L544-K718 HydrophobicContact CB-CD 3.92Å; L544-K718 HydrophobicContact CB-CG 4.11Å; L544-K718 HydrophobicContact CD1-CB 4.36Å; L544-K718 HydrophobicContact CD1-CD 4.21Å; L544-K718 HydrophobicContact CD2-CB 4.44Å; L544-L719 VanDerWaalsContact CD2-O 3.28Å; L544-L719 WeakPolarHBondContact CD2-O 3.17Å; L544-V720 HydrophobicContact CD1-CG2 3.83Å
545	N	91.7	Very high	88.3	Confident	24 Å²	24	35.9 Å²	35.9	13%	0.128	19%	0.19	C	C	.	.	H	α-helix	trans	-65.1	-39.6	175.6	-72.5	-40.5	0	0	0	112.1	E541 F542 D548 V549 K718	E541-N545 WeakPolarHBondContact O-CB 3.11Å; E541-N545 VanDerWaalsContact O-CG 3.27Å; E541-N545 PolarHBondContact O-N 2.84Å; E541-N545 PolarHBondContact O-ND2 3.46Å; E541-N545 PolarHBondContact OE1-ND2 3.03Å; E541-N545 PolarHBondContact OE1-OD1 3.1Å; F542-N545 PolarHBondContact O-N 2.68Å; N545-D548 PolarHBondContact O-N 3.3Å; N545-V549 WeakPolarHBondContact O-CG2 3.18Å; N545-V549 PolarHBondContact O-N 3.38Å; N545-K718 VanDerWaalsContact OD1-CE 3.31Å; N545-K718 WeakPolarHBondContact OD1-CE 3.5Å; N545-K718 PolarHBondContact OD1-NZ 3.21Å
546	V	92.1	Very high	87.2	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67	-45.2	174.7	175	0	0	0	0	111	F542 F543 D548 V549 L550 L624 A628	F542-V546 HydrophobicContact CD2-CG2 4.09Å; F542-V546 HydrophobicContact CE1-CG2 4.05Å; F542-V546 HydrophobicContact CE2-CG2 3.55Å; F542-V546 HydrophobicContact CZ-CG2 3.54Å; F542-V546 WeakPolarHBondContact O-CG2 3.48Å; F542-V546 PolarHBondContact O-N 3.46Å; F543-V546 PolarHBondContact O-N 2.72Å; V546-D548 PolarHBondContact O-N 3.05Å; V546-V549 PolarHBondContact O-N 2.91Å; V546-L550 HydrophobicContact CG1-CD1 3.9Å; V546-L550 HydrophobicContact CG1-CG 4.16Å; V546-L550 WeakPolarHBondContact O-CB 3.48Å; V546-L550 VanDerWaalsContact O-CG 3.26Å; V546-L550 WeakPolarHBondContact O-CG 3.19Å; V546-L550 PolarHBondContact O-N 3.24Å; V546-L624 HydrophobicContact CG1-CB 4.15Å; V546-L624 HydrophobicContact CG2-CB 4.24Å; V546-A628 HydrophobicContact CB-CB 4.26Å; V546-A628 HydrophobicContact CG1-CB 3.83Å; V546-A628 HydrophobicContact CG2-CB 4.3Å
547	K	89.4	Confident	86.1	Confident	19 Å²	19	45.7 Å²	45.7	8%	0.083	25%	0.247	C	C	.	.	H	α-helix	trans	-56.4	-41.5	174.7	-75.4	179.4	173.8	-163.7	0	111.4	F543 L544 L550 R551 I647 E659	F543-K547 WeakPolarHBondContact O-CB 3.27Å; F543-K547 WeakPolarHBondContact O-CG 3.21Å; F543-K547 PolarHBondContact O-N 2.84Å; L544-K547 PolarHBondContact O-N 3.47Å; K547-L550 PolarHBondContact O-N 3.28Å; K547-R551 VanDerWaalsContact O-CG 3.29Å; K547-R551 WeakPolarHBondContact O-CG 3.46Å; K547-R551 PolarHBondContact O-N 2.89Å; K547-R551 PolarHBondContact O-NE 3.32Å; K547-I647 WeakPolarHBondContact CE-O 3.38Å; K547-I647 HydrophobicContact CG-CG2 4.31Å; K547-I647 PolarHBondContact NZ-O 2.82Å; K547-E659 WeakPolarHBondContact CE-OE2 3.31Å; K547-E659 IonicContact NZ-OE2 2.65Å; K547-E659 PolarHBondContact NZ-OE2 3.2Å
548	D	87.4	Confident	85.1	Confident	35 Å²	35	43.7 Å²	43.7	19%	0.187	25%	0.246	C	C	.	.	H	α-helix	trans	-60	-51.6	174.4	-173.2	64.9	0	0	0	112.9	L544 N545 V546 L550 R551 A552 V716	L544-D548 WeakPolarHBondContact O-CB 3.33Å; L544-D548 PolarHBondContact O-N 3.11Å; N545-D548 PolarHBondContact O-N 3.3Å; V546-D548 PolarHBondContact O-N 3.05Å; D548-L550 PolarHBondContact O-N 3.01Å; D548-R551 PolarHBondContact O-N 2.93Å; D548-R551 IonicContact OD1-CZ 3.24Å; D548-R551 IonicContact OD1-NH2 3.01Å; D548-R551 PolarHBondContact OD1-NH2 3.03Å; D548-A552 PolarHBondContact O-N 3.38Å; D548-V716 HydrophobicContact CB-CG1 4.21Å
549	V	88.2	Confident	84	Confident	14 Å²	14	46.5 Å²	46.5	9%	0.085	25%	0.254	C	S	.	.	H	α-helix	trans	-53.4	-45.6	174.1	172.1	0	0	0	0	110	N545 V546 R551 A552 P619 R621 L624	N545-V549 WeakPolarHBondContact O-CG2 3.18Å; N545-V549 PolarHBondContact O-N 3.38Å; V546-V549 PolarHBondContact O-N 2.91Å; V549-R551 VanDerWaalsContact C-N 3.29Å; V549-R551 PolarHBondContact O-N 3.12Å; V549-A552 PolarHBondContact O-N 2.99Å; V549-P619 HydrophobicContact CG2-CG 4.34Å; V549-R621 HydrophobicContact CG1-CG 4.29Å; V549-R621 PolarHBondContact O-NH1 3.07Å; V549-R621 PolarHBondContact O-NH2 3.21Å; V549-R621 VanDerWaalsContact O-NH2 3.15Å; V549-L624 HydrophobicContact CG1-CD1 4.25Å; V549-L624 HydrophobicContact CG2-CD1 4.47Å
550	L	87	Confident	83.2	Confident	44 Å²	44	53.6 Å²	53.6	23%	0.23	29%	0.285	C	S	.	.	H	α-helix	trans	-70	-15.7	-178.9	-66.4	178.7	0	0	0	115.4	V546 K547 D548 R621 Q625 I647	V546-L550 HydrophobicContact CG1-CD1 3.9Å; V546-L550 HydrophobicContact CG1-CG 4.16Å; V546-L550 WeakPolarHBondContact O-CB 3.48Å; V546-L550 VanDerWaalsContact O-CG 3.26Å; V546-L550 WeakPolarHBondContact O-CG 3.19Å; V546-L550 PolarHBondContact O-N 3.24Å; K547-L550 PolarHBondContact O-N 3.28Å; D548-L550 PolarHBondContact O-N 3.01Å; L550-R621 HydrophobicContact CD2-CB 3.98Å; L550-R621 PolarHBondContact O-NH2 3.47Å; L550-Q625 HydrophobicContact CD1-CB 4.07Å; L550-Q625 HydrophobicContact CD1-CG 4.02Å; L550-Q625 HydrophobicContact CD2-CB 4.04Å; L550-I647 HydrophobicContact CD1-CD1 3.44Å; L550-I647 VanDerWaalsContact CD1-CD1 3.44Å
551	R	84.1	Confident	82.7	Confident	73 Å²	73	54.5 Å²	54.5	28%	0.275	29%	0.288	S	S	.	.	H	α-helix	trans	-90.4	-23.4	174.7	-71.1	172.3	-53.3	172.6	15.6	113	K547 D548 V549 E659 M663 V717	K547-R551 VanDerWaalsContact O-CG 3.29Å; K547-R551 WeakPolarHBondContact O-CG 3.46Å; K547-R551 PolarHBondContact O-N 2.89Å; K547-R551 PolarHBondContact O-NE 3.32Å; D548-R551 PolarHBondContact O-N 2.93Å; D548-R551 IonicContact OD1-CZ 3.24Å; D548-R551 IonicContact OD1-NH2 3.01Å; D548-R551 PolarHBondContact OD1-NH2 3.03Å; V549-R551 VanDerWaalsContact C-N 3.29Å; V549-R551 PolarHBondContact O-N 3.12Å; R551-E659 IonicContact NH1-OE1 2.68Å; R551-M663 PolarHBondContact NH1-SD 3.16Å; R551-V717 VanDerWaalsContact CZ-O 3.26Å; R551-V717 PolarHBondContact NH1-O 3.41Å; R551-V717 PolarHBondContact NH2-O 3.13Å
552	A	78.3	Confident	82.4	Confident	33 Å²	33	58.9 Å²	58.9	27%	0.273	31%	0.306	S	S	.	.	S	Bend	trans	-53.6	134.1	-178.1	0	0	0	0	0	111.1	D548 V549 S554 R621	D548-A552 PolarHBondContact O-N 3.38Å; V549-A552 PolarHBondContact O-N 2.99Å; A552-S554 PolarHBondContact O-N 3.14Å; A552-R621 PolarHBondContact O-NH1 3.45Å; A552-R621 PolarHBondContact O-NH2 2.92Å
553	P	70.8	Confident	82.1	Confident	114 Å²	114	64.4 Å²	64.4	74%	0.74	33%	0.328	S	S	*	.			trans	-57.1	128.9	-175.6	-24.2	31.8	0	0	0	111.9	R618	P553-R618 PolarHBondContact O-NH1 3.04Å
554	S	70.1	Confident	82.1	Confident	35 Å²	35	68.5 Å²	68.5	25%	0.245	35%	0.347	C	S	.	.			trans	-142.7	136.3	171.6	50.9	0	0	0	0	109.3	A552	A552-S554 PolarHBondContact O-N 3.14Å
555	D	75.2	Confident	82.2	Confident	96 Å²	96	72 Å²	72	51%	0.513	38%	0.376	S	S	.	.			trans	-64.3	160.4	165.6	63.8	-45.8	0	0	0	110.2	T557 G558 R559	D555-T557 PolarHBondContact O-N 2.9Å; D555-T557 PolarHBondContact OD2-OG1 3.12Å; D555-G558 VanDerWaalsContact CG-N 3.32Å; D555-G558 PolarHBondContact O-N 3.33Å; D555-G558 VanDerWaalsContact O-N 3.1Å; D555-G558 WeakPolarHBondContact OD1-CA 3.42Å; D555-G558 PolarHBondContact OD1-N 3.27Å; D555-G558 VanDerWaalsContact OD1-N 3.07Å; D555-G558 PolarHBondContact OD2-N 3.31Å; D555-R559 PolarHBondContact O-N 3.29Å
556	L	73.1	Confident	82.3	Confident	130 Å²	130	75 Å²	75	68%	0.681	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-37.2	-177.1	-102.8	141.4	0	0	0	112.8	F560	L556-F560 WeakPolarHBondContact O-CD2 3.49Å
557	T	71.6	Confident	82.4	Confident	107 Å²	107	75 Å²	75	66%	0.656	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-39.6	176.5	31.3	0	0	0	0	112.9	D555 R559 F560	D555-T557 PolarHBondContact O-N 2.9Å; D555-T557 PolarHBondContact OD2-OG1 3.12Å; T557-R559 PolarHBondContact O-N 3.03Å; T557-R559 VanDerWaalsContact O-N 3.12Å; T557-F560 PolarHBondContact O-N 3.1Å
558	G	70.5	Confident	82.7	Confident	26 Å²	26	76.4 Å²	76.4	27%	0.268	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-5.4	175.5	0	0	0	0	0	115.2	D555	D555-G558 VanDerWaalsContact CG-N 3.32Å; D555-G558 PolarHBondContact O-N 3.33Å; D555-G558 VanDerWaalsContact O-N 3.1Å; D555-G558 WeakPolarHBondContact OD1-CA 3.42Å; D555-G558 PolarHBondContact OD1-N 3.27Å; D555-G558 VanDerWaalsContact OD1-N 3.07Å; D555-G558 PolarHBondContact OD2-N 3.31Å
559	R	72.4	Confident	83.1	Confident	127 Å²	127	81.2 Å²	81.2	48%	0.479	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-22.5	167.2	-66	177.2	-172.2	-169	1.5	112.9	D555 T557	D555-R559 PolarHBondContact O-N 3.29Å; T557-R559 PolarHBondContact O-N 3.03Å; T557-R559 VanDerWaalsContact O-N 3.12Å
560	F	79.3	Confident	83.6	Confident	150 Å²	150	81 Å²	81	66%	0.658	43%	0.425	S	S	*	.	S	Bend	trans	-105.9	84.2	-176.5	-58.8	-80.1	0	0	0	109.7	L556 T557 L622	L556-F560 WeakPolarHBondContact O-CD2 3.49Å; T557-F560 PolarHBondContact O-N 3.1Å; F560-L622 HydrophobicContact CD1-CD1 3.87Å; F560-L622 HydrophobicContact CE1-CD1 4.08Å
561	E	81.9	Confident	84.1	Confident	54 Å²	54	80.5 Å²	80.5	25%	0.252	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-83.3	141.2	178.1	-65	174.3	177	0	0	111	N620	E561-N620 WeakPolarHBondContact OE2-CA 3.32Å
562	K	85.7	Confident	84.8	Confident	147 Å²	147	79.9 Å²	79.9	64%	0.639	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-61.2	139	172.5	176.5	179.1	168.9	-121.5	0	109.6	E564	K562-E564 WeakPolarHBondContact CD-OE1 3.42Å; K562-E564 WeakPolarHBondContact CE-OE1 3.27Å; K562-E564 IonicContact NZ-OE1 3.61Å; K562-E564 PolarHBondContact NZ-OE1 3.43Å; K562-E564 IonicContact NZ-OE2 3.44Å; K562-E564 PolarHBondContact NZ-OE2 3.02Å
563	W	91.4	Very high	85.7	Confident	117 Å²	117	79.7 Å²	79.7	44%	0.443	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-79.9	126.3	169.8	-71.9	16.4	0	0	0	109.8	E567 N571	W563-E567 HydrophobicContact CB-CB 3.9Å; W563-E567 HydrophobicContact CD2-CB 4.19Å; W563-E567 HydrophobicContact CG-CB 3.84Å; W563-E567 HydrophobicContact CG-CG 4.48Å; W563-N571 HydrophobicContact CE3-CB 4.48Å; W563-N571 HydrophobicContact CH2-CB 3.7Å; W563-N571 WeakPolarHBondContact CH2-OD1 3.26Å; W563-N571 HydrophobicContact CZ3-CB 3.6Å
564	E	92.8	Very high	87	Confident	87 Å²	87	74.7 Å²	74.7	41%	0.407	39%	0.392	S	S	.	.			trans	-96.7	-174.6	165.6	-54.1	-59	155.3	0	0	109.5	K562 E566 E567 A568	K562-E564 WeakPolarHBondContact CD-OE1 3.42Å; K562-E564 WeakPolarHBondContact CE-OE1 3.27Å; K562-E564 IonicContact NZ-OE1 3.61Å; K562-E564 PolarHBondContact NZ-OE1 3.43Å; K562-E564 IonicContact NZ-OE2 3.44Å; K562-E564 PolarHBondContact NZ-OE2 3.02Å; E564-E566 VanDerWaalsContact C-N 3.26Å; E564-E566 PolarHBondContact O-N 3.16Å; E564-E567 WeakPolarHBondContact CA-OE2 3.49Å; E564-E567 VanDerWaalsContact CB-OE2 3.32Å; E564-E567 WeakPolarHBondContact CB-OE2 3.1Å; E564-E567 PolarHBondContact N-OE2 3.45Å; E564-E567 PolarHBondContact O-N 3.27Å; E564-A568 PolarHBondContact O-N 3.39Å; E564-A568 VanDerWaalsContact O-N 3.08Å
565	A	92.9	Very high	88.3	Confident	79 Å²	79	79.2 Å²	79.2	65%	0.653	41%	0.405	S	S	*	.	H	α-helix	trans	-57.1	-39.8	-179.3	0	0	0	0	0	112.5	A568 E569	A565-A568 PolarHBondContact O-N 2.94Å; A565-E569 WeakPolarHBondContact O-CB 3.37Å; A565-E569 PolarHBondContact O-N 3.22Å
566	E	93.8	Very high	89.4	Confident	87 Å²	87	78.6 Å²	78.6	41%	0.407	40%	0.402	S	S	.	.	H	α-helix	trans	-63.4	-42.6	179.3	-63.4	175.8	166.4	0	0	112.2	E564 L570 Y608 R612	E564-E566 VanDerWaalsContact C-N 3.26Å; E564-E566 PolarHBondContact O-N 3.16Å; E566-L570 WeakPolarHBondContact O-CB 3.24Å; E566-L570 PolarHBondContact O-N 3.16Å; E566-Y608 HydrophobicContact CB-CD2 4.32Å; E566-Y608 HydrophobicContact CB-CE2 4.16Å; E566-R612 WeakPolarHBondContact OE2-CD 3.36Å; E566-R612 IonicContact OE2-CZ 2.89Å; E566-R612 IonicContact OE2-NE 2.65Å; E566-R612 IonicContact OE2-NH1 3.23Å; E566-R612 PolarHBondContact OE2-NH1 2.94Å
567	E	95	Very high	90.6	Very high	0 Å²	0	76 Å²	76	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-67.2	-40.8	175.4	-73.8	73.2	-153.4	0	0	112.1	W563 E564 E569 L570 N571 Y608 R612 N620 L623	W563-E567 HydrophobicContact CB-CB 3.9Å; W563-E567 HydrophobicContact CD2-CB 4.19Å; W563-E567 HydrophobicContact CG-CB 3.84Å; W563-E567 HydrophobicContact CG-CG 4.48Å; E564-E567 WeakPolarHBondContact CA-OE2 3.49Å; E564-E567 VanDerWaalsContact CB-OE2 3.32Å; E564-E567 WeakPolarHBondContact CB-OE2 3.1Å; E564-E567 PolarHBondContact N-OE2 3.45Å; E564-E567 PolarHBondContact O-N 3.27Å; E567-E569 VanDerWaalsContact C-N 3.34Å; E567-L570 PolarHBondContact O-N 3.17Å; E567-N571 VanDerWaalsContact O-CB 3.25Å; E567-N571 WeakPolarHBondContact O-CB 3.39Å; E567-N571 PolarHBondContact O-N 3.46Å; E567-Y608 HydrophobicContact CG-CE2 4.4Å; E567-Y608 WeakPolarHBondContact OE1-CE2 3.37Å; E567-Y608 PolarHBondContact OE1-OH 3.35Å; E567-R612 IonicContact OE1-CZ 2.73Å; E567-R612 IonicContact OE1-NE 3.54Å; E567-R612 PolarHBondContact OE1-NE 3.14Å; E567-R612 IonicContact OE1-NH1 3.5Å; E567-R612 IonicContact OE1-NH2 3.59Å; E567-R612 PolarHBondContact OE1-NH2 3.26Å; E567-R612 IonicContact OE2-NH2 3Å; E567-N620 HydrophobicContact CG-CB 3.76Å; E567-L623 HydrophobicContact CB-CD2 4.18Å; E567-L623 HydrophobicContact CG-CD2 4.39Å
568	A	95.6	Very high	91.8	Very high	50 Å²	50	75 Å²	75	41%	0.413	37%	0.369	S	S	.	.	H	α-helix	trans	-64.1	-41	178.3	0	0	0	0	0	111.4	E564 A565 N571 S572	E564-A568 PolarHBondContact O-N 3.39Å; E564-A568 VanDerWaalsContact O-N 3.08Å; A565-A568 PolarHBondContact O-N 2.94Å; A568-N571 PolarHBondContact O-N 2.8Å; A568-S572 PolarHBondContact O-N 3.45Å
569	E	96.4	Very high	93.1	Very high	136 Å²	136	79.7 Å²	79.7	64%	0.636	38%	0.379	S	S	*	.	H	α-helix	trans	-66.5	-46.2	176.4	-176.5	177	-171.1	0	0	112.1	A565 E567 N571 S572 S573	A565-E569 WeakPolarHBondContact O-CB 3.37Å; A565-E569 PolarHBondContact O-N 3.22Å; E567-E569 VanDerWaalsContact C-N 3.34Å; E569-N571 VanDerWaalsContact C-N 3.31Å; E569-N571 PolarHBondContact O-N 3.02Å; E569-S572 PolarHBondContact O-N 3.18Å; E569-S573 WeakPolarHBondContact O-CB 3.39Å; E569-S573 PolarHBondContact O-N 3Å; E569-S573 PolarHBondContact O-OG 3.26Å
570	L	97.4	Very high	94.3	Very high	9 Å²	9	74.3 Å²	74.3	5%	0.047	36%	0.362	C	S	.	.	H	α-helix	trans	-62.4	-40.6	175.5	177.8	61.7	0	0	0	111.1	E566 E567 S573 F574 L604 Y608 L623 I627	E566-L570 WeakPolarHBondContact O-CB 3.24Å; E566-L570 PolarHBondContact O-N 3.16Å; E567-L570 PolarHBondContact O-N 3.17Å; L570-S573 PolarHBondContact O-N 3.44Å; L570-F574 WeakPolarHBondContact O-CB 3.29Å; L570-F574 PolarHBondContact O-N 3.27Å; L570-L604 HydrophobicContact CD1-CB 4.27Å; L570-Y608 HydrophobicContact CD2-CD1 3.52Å; L570-Y608 HydrophobicContact CD2-CD2 4.2Å; L570-Y608 HydrophobicContact CD2-CE1 4.05Å; L570-Y608 HydrophobicContact CD2-CG 3.61Å; L570-L623 HydrophobicContact CB-CD2 4.11Å; L570-L623 HydrophobicContact CD2-CD2 3.79Å; L570-L623 HydrophobicContact CD2-CG 4.23Å; L570-L623 HydrophobicContact CG-CD2 4.02Å; L570-I627 HydrophobicContact CD1-CD1 4.28Å; L570-I627 HydrophobicContact CD2-CD1 4.16Å; L570-I627 HydrophobicContact CG-CD1 4.1Å
571	N	97.8	Very high	95.3	Very high	33 Å²	33	67.2 Å²	67.2	18%	0.176	33%	0.331	C	S	.	.	H	α-helix	trans	-66.1	-41.9	176.3	-178.2	79.3	0	0	0	111.9	W563 E567 A568 E569 S573 F574 Y575 L623	W563-N571 HydrophobicContact CE3-CB 4.48Å; W563-N571 HydrophobicContact CH2-CB 3.7Å; W563-N571 WeakPolarHBondContact CH2-OD1 3.26Å; W563-N571 HydrophobicContact CZ3-CB 3.6Å; E567-N571 VanDerWaalsContact O-CB 3.25Å; E567-N571 WeakPolarHBondContact O-CB 3.39Å; E567-N571 PolarHBondContact O-N 3.46Å; A568-N571 PolarHBondContact O-N 2.8Å; E569-N571 VanDerWaalsContact C-N 3.31Å; E569-N571 PolarHBondContact O-N 3.02Å; N571-S573 VanDerWaalsContact C-N 3.32Å; N571-S573 PolarHBondContact O-N 3.16Å; N571-F574 WeakPolarHBondContact O-CB 3.48Å; N571-F574 PolarHBondContact O-N 2.88Å; N571-Y575 WeakPolarHBondContact O-CD2 3.34Å; N571-Y575 PolarHBondContact O-N 2.82Å; N571-Y575 VanDerWaalsContact O-N 3.11Å; N571-Y575 WeakPolarHBondContact OD1-CE2 3.5Å; N571-L623 HydrophobicContact CB-CD1 3.93Å; N571-L623 HydrophobicContact CB-CD2 4.42Å
572	S	97.9	Very high	96	Very high	61 Å²	61	66.5 Å²	66.5	43%	0.427	33%	0.327	S	S	.	.	H	α-helix	trans	-56.8	-50.3	172.8	-168.1	0	0	0	0	110.4	A568 E569 F574 Y575 D576	A568-S572 PolarHBondContact O-N 3.45Å; E569-S572 PolarHBondContact O-N 3.18Å; S572-F574 VanDerWaalsContact C-N 3.26Å; S572-F574 PolarHBondContact O-N 2.6Å; S572-Y575 PolarHBondContact O-N 3.19Å; S572-Y575 VanDerWaalsContact O-N 3.14Å; S572-D576 VanDerWaalsContact O-CG 3.25Å; S572-D576 PolarHBondContact O-N 2.82Å
573	S	97.6	Very high	96.6	Very high	28 Å²	28	63.1 Å²	63.1	20%	0.196	32%	0.316	C	S	.	.	H	α-helix	trans	-58.6	-37.9	177.4	-59.8	0	0	0	0	112.3	E569 L570 N571 D576 R577	E569-S573 WeakPolarHBondContact O-CB 3.39Å; E569-S573 PolarHBondContact O-N 3Å; E569-S573 PolarHBondContact O-OG 3.26Å; L570-S573 PolarHBondContact O-N 3.44Å; N571-S573 VanDerWaalsContact C-N 3.32Å; N571-S573 PolarHBondContact O-N 3.16Å; S573-D576 PolarHBondContact O-N 3.15Å; S573-R577 WeakPolarHBondContact O-CB 3.4Å; S573-R577 VanDerWaalsContact O-CG 3.3Å; S573-R577 WeakPolarHBondContact O-CG 3.46Å; S573-R577 PolarHBondContact O-N 2.97Å
574	F	98.4	Very high	96.9	Very high	10 Å²	10	58.1 Å²	58.1	4%	0.044	30%	0.3	C	S	.	.	H	α-helix	trans	-60.5	-48.3	175.6	170.7	-142.8	0	0	0	111.9	L570 N571 S572 R577 K578 L601 I627 Y630	L570-F574 WeakPolarHBondContact O-CB 3.29Å; L570-F574 PolarHBondContact O-N 3.27Å; N571-F574 WeakPolarHBondContact O-CB 3.48Å; N571-F574 PolarHBondContact O-N 2.88Å; S572-F574 VanDerWaalsContact C-N 3.26Å; S572-F574 PolarHBondContact O-N 2.6Å; F574-R577 PolarHBondContact O-N 3.1Å; F574-K578 VanDerWaalsContact O-CB 3.28Å; F574-K578 WeakPolarHBondContact O-CB 3.37Å; F574-K578 PolarHBondContact O-N 2.87Å; F574-L601 HydrophobicContact CB-CD1 4.14Å; F574-L601 HydrophobicContact CD2-CD1 4.18Å; F574-L601 HydrophobicContact CD2-CD2 3.7Å; F574-L601 HydrophobicContact CE2-CD2 4.13Å; F574-I627 HydrophobicContact CB-CD1 4.31Å; F574-I627 HydrophobicContact CB-CG1 4.16Å; F574-I627 HydrophobicContact CD1-CG1 3.87Å; F574-I627 HydrophobicContact CD2-CG1 3.88Å; F574-I627 HydrophobicContact CE1-CG1 4.19Å; F574-I627 HydrophobicContact CE2-CG1 4.21Å; F574-I627 HydrophobicContact CG-CD1 4.38Å; F574-I627 HydrophobicContact CG-CG1 3.7Å; F574-I627 HydrophobicContact CZ-CG1 4.35Å; F574-Y630 AromaticContact CE2-CD1 3.69Å; F574-Y630 HydrophobicContact CE2-CD1 3.69Å; F574-Y630 HydrophobicContact CE2-CE1 4.42Å; F574-Y630 AromaticContact CE2-CG 3.82Å; F574-Y630 HydrophobicContact CE2-CG 3.82Å; F574-Y630 HydrophobicContact CZ-CD1 4.45Å; F574-Y630 HydrophobicContact CZ-CG 4.14Å
575	Y	98.1	Very high	97.2	Very high	130 Å²	130	54 Å²	54	51%	0.51	28%	0.28	S	S	.	.	H	α-helix	trans	-68.2	-37.1	177.5	-80.1	-83.4	0	0	0	112.3	N571 S572 K578 W579	N571-Y575 WeakPolarHBondContact O-CD2 3.34Å; N571-Y575 PolarHBondContact O-N 2.82Å; N571-Y575 VanDerWaalsContact O-N 3.11Å; N571-Y575 WeakPolarHBondContact OD1-CE2 3.5Å; S572-Y575 PolarHBondContact O-N 3.19Å; S572-Y575 VanDerWaalsContact O-N 3.14Å; Y575-K578 PolarHBondContact O-N 3.14Å; Y575-W579 WeakPolarHBondContact O-CB 3.46Å; Y575-W579 PolarHBondContact O-N 3.36Å
576	D	97.8	Very high	97.5	Very high	83 Å²	83	50.5 Å²	50.5	44%	0.444	25%	0.251	S	S	.	.	H	α-helix	trans	-63.2	-44	175.7	-66.9	-27.3	0	0	0	111.5	S572 S573 W579 A580	S572-D576 VanDerWaalsContact O-CG 3.25Å; S572-D576 PolarHBondContact O-N 2.82Å; S573-D576 PolarHBondContact O-N 3.15Å; D576-W579 PolarHBondContact O-N 3.02Å; D576-A580 WeakPolarHBondContact O-CB 3.38Å; D576-A580 PolarHBondContact O-N 3.06Å
577	R	98.2	Very high	97.6	Very high	75 Å²	75	49.4 Å²	49.4	28%	0.283	25%	0.248	S	C	.	.	H	α-helix	trans	-69	-38.3	175.9	-68.7	-48.8	92.2	-178.1	2.1	112.1	S573 F574 W579 A580 V581 E597 L601	S573-R577 WeakPolarHBondContact O-CB 3.4Å; S573-R577 VanDerWaalsContact O-CG 3.3Å; S573-R577 WeakPolarHBondContact O-CG 3.46Å; S573-R577 PolarHBondContact O-N 2.97Å; F574-R577 PolarHBondContact O-N 3.1Å; R577-W579 VanDerWaalsContact C-N 3.27Å; R577-W579 PolarHBondContact O-N 3.36Å; R577-A580 PolarHBondContact O-N 2.88Å; R577-V581 WeakPolarHBondContact O-CG2 3.37Å; R577-V581 PolarHBondContact O-N 3.39Å; R577-E597 WeakPolarHBondContact CD-OE2 3.23Å; R577-E597 IonicContact CZ-OE2 3.78Å; R577-E597 IonicContact NE-OE2 3.5Å; R577-E597 IonicContact NH1-OE1 2.79Å; R577-E597 PolarHBondContact NH1-OE1 3.27Å; R577-E597 VanDerWaalsContact NH1-OE1 3.13Å; R577-E597 IonicContact NH1-OE2 3.8Å; R577-E597 PolarHBondContact NH1-OE2 3.38Å; R577-L601 HydrophobicContact CB-CB 4.24Å; R577-L601 HydrophobicContact CG-CB 4.25Å
578	K	97.7	Very high	97.8	Very high	86 Å²	86	49.8 Å²	49.8	37%	0.374	25%	0.25	S	S	.	.	H	α-helix	trans	-60.6	-39.4	173.2	-178.6	172.4	178.2	-177.1	0	111.5	F574 Y575 H582 Y630	F574-K578 VanDerWaalsContact O-CB 3.28Å; F574-K578 WeakPolarHBondContact O-CB 3.37Å; F574-K578 PolarHBondContact O-N 2.87Å; Y575-K578 PolarHBondContact O-N 3.14Å; K578-H582 PolarHBondContact O-N 3.5Å; K578-H582 VanDerWaalsContact O-N 3.09Å; K578-Y630 HydrophobicContact CB-CE1 4.48Å; K578-Y630 HydrophobicContact CD-CD2 4.17Å; K578-Y630 HydrophobicContact CD-CE2 3.93Å; K578-Y630 HydrophobicContact CG-CD2 4.44Å; K578-Y630 HydrophobicContact CG-CE1 4.5Å; K578-Y630 HydrophobicContact CG-CE2 3.74Å
579	W	97.3	Very high	97.9	Very high	124 Å²	124	47.4 Å²	47.4	47%	0.47	23%	0.23	S	C	.	.	H	α-helix	trans	-67.8	-42.3	173.2	-176.5	-117.8	0	0	0	112.5	P112 Y575 D576 R577 V581 H582 L583	P112-W579 HydrophobicContact CG-CH2 3.45Å; P112-W579 VanDerWaalsContact CG-CH2 3.45Å; P112-W579 HydrophobicContact CG-CZ2 3.46Å; P112-W579 VanDerWaalsContact CG-CZ2 3.46Å; P112-W579 HydrophobicContact CG-CZ3 4.37Å; Y575-W579 WeakPolarHBondContact O-CB 3.46Å; Y575-W579 PolarHBondContact O-N 3.36Å; D576-W579 PolarHBondContact O-N 3.02Å; R577-W579 VanDerWaalsContact C-N 3.27Å; R577-W579 PolarHBondContact O-N 3.36Å; W579-V581 VanDerWaalsContact C-N 3.33Å; W579-V581 PolarHBondContact O-N 3.12Å; W579-H582 HydrophobicContact CE3-CB 4.23Å; W579-H582 AromaticContact CE3-CD2 3.87Å; W579-H582 AromaticContact CZ3-CD2 3.46Å; W579-H582 VanDerWaalsContact CZ3-CD2 3.46Å; W579-H582 WeakPolarHBondContact CZ3-CD2 3.44Å; W579-H582 WeakPolarHBondContact O-CA 3.33Å; W579-H582 WeakPolarHBondContact O-CB 3.28Å; W579-H582 PolarHBondContact O-N 3.36Å; W579-H582 VanDerWaalsContact O-N 3.08Å; W579-L583 HydrophobicContact CZ2-CD2 4.27Å; W579-L583 WeakPolarHBondContact O-CG 3.35Å; W579-L583 PolarHBondContact O-N 3.44Å
580	A	98.3	Very high	97.9	Very high	15 Å²	15	42.8 Å²	42.8	12%	0.124	21%	0.21	C	C	.	.	H	α-helix	trans	-60.5	-41.1	175.3	0	0	0	0	0	112.3	D576 R577 H582 L583 A584 E597	D576-A580 WeakPolarHBondContact O-CB 3.38Å; D576-A580 PolarHBondContact O-N 3.06Å; R577-A580 PolarHBondContact O-N 2.88Å; A580-H582 VanDerWaalsContact C-N 3.34Å; A580-H582 PolarHBondContact O-N 3.08Å; A580-L583 PolarHBondContact O-N 2.88Å; A580-A584 PolarHBondContact O-N 3.23Å; A580-E597 HydrophobicContact CB-CG 3.89Å
581	V	98.5	Very high	98	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-59.7	-44.4	171.3	170.1	0	0	0	0	111	R577 W579 L583 A584 L585 A594 E597 M598 Y630 M634	R577-V581 WeakPolarHBondContact O-CG2 3.37Å; R577-V581 PolarHBondContact O-N 3.39Å; W579-V581 VanDerWaalsContact C-N 3.33Å; W579-V581 PolarHBondContact O-N 3.12Å; V581-L583 PolarHBondContact O-N 3.44Å; V581-A584 PolarHBondContact O-N 2.93Å; V581-L585 HydrophobicContact CG1-CD1 4.07Å; V581-L585 HydrophobicContact CG1-CG 4.46Å; V581-L585 WeakPolarHBondContact O-CG 3.41Å; V581-L585 PolarHBondContact O-N 3.4Å; V581-A594 HydrophobicContact CG1-CB 4.11Å; V581-E597 HydrophobicContact CG2-CB 3.7Å; V581-M598 HydrophobicContact CG2-CG 4.16Å; V581-Y630 WeakPolarHBondContact CB-OH 3.45Å; V581-Y630 WeakPolarHBondContact CG1-OH 3.19Å; V581-M634 HydrophobicContact CG1-CE 3.95Å
582	H	98.2	Very high	98	Very high	38 Å²	38	48.3 Å²	48.3	18%	0.176	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-43.3	176.5	-176.2	68.8	0	0	0	112.5	Y169 K578 W579 A580 L585 C586	Y169-H582 AromaticContact CE1-ND1 3.51Å; Y169-H582 AromaticContact CZ-ND1 3.64Å; Y169-H582 VanDerWaalsContact OH-CA 3.26Å; Y169-H582 WeakPolarHBondContact OH-CA 3.25Å; Y169-H582 VanDerWaalsContact OH-CB 3.23Å; Y169-H582 WeakPolarHBondContact OH-CB 3.44Å; Y169-H582 PolarHBondContact OH-ND1 3.04Å; K578-H582 PolarHBondContact O-N 3.5Å; K578-H582 VanDerWaalsContact O-N 3.09Å; W579-H582 HydrophobicContact CE3-CB 4.23Å; W579-H582 AromaticContact CE3-CD2 3.87Å; W579-H582 AromaticContact CZ3-CD2 3.46Å; W579-H582 VanDerWaalsContact CZ3-CD2 3.46Å; W579-H582 WeakPolarHBondContact CZ3-CD2 3.44Å; W579-H582 WeakPolarHBondContact O-CA 3.33Å; W579-H582 WeakPolarHBondContact O-CB 3.28Å; W579-H582 PolarHBondContact O-N 3.36Å; W579-H582 VanDerWaalsContact O-N 3.08Å; A580-H582 VanDerWaalsContact C-N 3.34Å; A580-H582 PolarHBondContact O-N 3.08Å; H582-L585 PolarHBondContact O-N 3.49Å; H582-C586 WeakPolarHBondContact O-CB 3.3Å; H582-C586 PolarHBondContact O-N 3.29Å; H582-C586 PolarHBondContact O-SG 2.85Å
583	L	97.9	Very high	98	Very high	77 Å²	77	47.8 Å²	47.8	40%	0.403	23%	0.225	S	C	.	.	H	α-helix	trans	-61.5	-45	176.3	-71.3	173	0	0	0	111.9	P112 W579 A580 V581 L585 C586 D587	P112-L583 HydrophobicContact CB-CD2 3.87Å; P112-L583 HydrophobicContact CG-CD2 3.36Å; W579-L583 HydrophobicContact CZ2-CD2 4.27Å; W579-L583 WeakPolarHBondContact O-CG 3.35Å; W579-L583 PolarHBondContact O-N 3.44Å; A580-L583 PolarHBondContact O-N 2.88Å; V581-L583 PolarHBondContact O-N 3.44Å; L583-L585 VanDerWaalsContact C-N 3.35Å; L583-L585 PolarHBondContact O-N 3.48Å; L583-C586 PolarHBondContact O-N 2.85Å; L583-D587 PolarHBondContact O-N 3.43Å
584	A	98.3	Very high	98	Very high	12 Å²	12	46.4 Å²	46.4	10%	0.099	22%	0.215	C	C	.	.	H	α-helix	trans	-60.3	-44.1	176	0	0	0	0	0	111.7	A580 V581 C586 D587 D590 A594	A580-A584 PolarHBondContact O-N 3.23Å; V581-A584 PolarHBondContact O-N 2.93Å; A584-C586 VanDerWaalsContact C-N 3.34Å; A584-C586 PolarHBondContact O-N 2.97Å; A584-D587 CarbonylContact O-C 3.33Å; A584-D587 PolarHBondContact O-N 3.33Å; A584-D587 VanDerWaalsContact O-N 3.13Å; A584-D590 WeakPolarHBondContact O-CB 3.49Å; A584-D590 PolarHBondContact O-N 3.33Å; A584-A594 HydrophobicContact CB-CB 4.32Å
585	L	98.4	Very high	98	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-69.5	-31.3	178.2	-66.8	178.3	0	0	0	113.1	L114 I165 Y169 F170 V581 H582 L583 D587 M589 A594 M634 F638	L114-L585 WeakPolarHBondContact CD1-O 3.36Å; I165-L585 HydrophobicContact CD1-CD2 4.07Å; Y169-L585 HydrophobicContact CD1-CD1 3.95Å; Y169-L585 HydrophobicContact CD2-CD1 3.98Å; Y169-L585 HydrophobicContact CE1-CB 4.28Å; Y169-L585 HydrophobicContact CE1-CD1 3.77Å; Y169-L585 HydrophobicContact CE2-CD1 3.81Å; Y169-L585 HydrophobicContact CG-CD1 4.06Å; F170-L585 HydrophobicContact CE2-CB 4.33Å; F170-L585 HydrophobicContact CZ-CB 4.17Å; V581-L585 HydrophobicContact CG1-CD1 4.07Å; V581-L585 HydrophobicContact CG1-CG 4.46Å; V581-L585 WeakPolarHBondContact O-CG 3.41Å; V581-L585 PolarHBondContact O-N 3.4Å; H582-L585 PolarHBondContact O-N 3.49Å; L583-L585 VanDerWaalsContact C-N 3.35Å; L583-L585 PolarHBondContact O-N 3.48Å; L585-D587 VanDerWaalsContact C-N 3.27Å; L585-M589 VanDerWaalsContact O-CA 3.26Å; L585-M589 WeakPolarHBondContact O-CA 3.34Å; L585-M589 PolarHBondContact O-N 3.33Å; L585-M589 VanDerWaalsContact O-N 3.13Å; L585-A594 HydrophobicContact CD2-CB 4.19Å; L585-A594 HydrophobicContact CG-CB 4.37Å; L585-M634 HydrophobicContact CD1-CE 3.72Å; L585-F638 HydrophobicContact CD2-CE1 4.19Å; L585-F638 HydrophobicContact CD2-CZ 4.27Å
586	C	98.3	Very high	98	Very high	6 Å²	6	43.7 Å²	43.7	4%	0.041	21%	0.207	C	C	.	.	H	α-helix	trans	-68.5	-28.2	171.4	-69.3	0	0	0	0	112	P112 L114 R115 H582 L583 A584 N588	P112-C586 HydrophobicContact CB-CB 4.14Å; L114-C586 CarbonylContact C-O 3.51Å; L114-C586 WeakPolarHBondContact CA-O 3.41Å; R115-C586 PolarHBondContact N-O 3.24Å; H582-C586 WeakPolarHBondContact O-CB 3.3Å; H582-C586 PolarHBondContact O-N 3.29Å; H582-C586 PolarHBondContact O-SG 2.85Å; L583-C586 PolarHBondContact O-N 2.85Å; A584-C586 VanDerWaalsContact C-N 3.34Å; A584-C586 PolarHBondContact O-N 2.97Å; C586-N588 PolarHBondContact O-N 3Å
587	D	97.6	Very high	98.1	Very high	63 Å²	63	41.7 Å²	41.7	34%	0.337	20%	0.195	S	C	.	.	B	Isolated β-bridge	trans	-90	82	177.6	-171.9	30.8	0	0	0	111.9	K124 L583 A584 L585 M589 D590	K124-D587 WeakPolarHBondContact CD-OD1 3.25Å; K124-D587 WeakPolarHBondContact CE-OD1 3.35Å; K124-D587 IonicContact NZ-OD1 3.64Å; K124-D587 PolarHBondContact NZ-OD1 3.25Å; K124-D587 IonicContact NZ-OD2 3.05Å; K124-D587 PolarHBondContact NZ-OD2 2.87Å; L583-D587 PolarHBondContact O-N 3.43Å; A584-D587 CarbonylContact O-C 3.33Å; A584-D587 PolarHBondContact O-N 3.33Å; A584-D587 VanDerWaalsContact O-N 3.13Å; L585-D587 VanDerWaalsContact C-N 3.27Å; D587-M589 VanDerWaalsContact C-N 3.28Å; D587-M589 PolarHBondContact O-N 2.82Å; D587-D590 WeakPolarHBondContact O-CB 3.39Å; D587-D590 PolarHBondContact O-N 3.31Å
588	N	97.3	Very high	98.1	Very high	9 Å²	9	38.2 Å²	38.2	5%	0.048	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	31.2	177.5	-168.2	54.4	0	0	0	114.4	R115 Y117 K124 W518 C586 D590	R115-N588 WeakPolarHBondContact O-CA 3.32Å; R115-N588 PolarHBondContact O-N 2.85Å; Y117-N588 VanDerWaalsContact CB-OD1 3.29Å; Y117-N588 WeakPolarHBondContact CB-OD1 3.35Å; Y117-N588 PolarHBondContact N-OD1 3.44Å; K124-N588 HydrophobicContact CD-CB 4.17Å; W518-N588 VanDerWaalsContact CZ2-OD1 3.28Å; W518-N588 WeakPolarHBondContact CZ2-OD1 3.08Å; W518-N588 PolarHBondContact NE1-ND2 2.68Å; W518-N588 PolarHBondContact NE1-O 3.26Å; C586-N588 PolarHBondContact O-N 3Å; N588-D590 VanDerWaalsContact C-N 3.26Å; N588-D590 PolarHBondContact O-N 3.5Å
589	M	97.8	Very high	98.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	48.1	-176	-60.2	-173	-84.3	0	0	111.3	L114 L116 L162 I165 L166 L585 D587 T591	L114-M589 HydrophobicContact CD1-CG 4.02Å; L116-M589 HydrophobicContact CD1-CE 4.49Å; L116-M589 HydrophobicContact CD2-CE 3.47Å; L116-M589 VanDerWaalsContact CD2-CE 3.47Å; L116-M589 HydrophobicContact CD2-CG 4.09Å; L116-M589 HydrophobicContact CD2-SD 4.43Å; L162-M589 HydrophobicContact CB-CE 3.82Å; L162-M589 HydrophobicContact CB-SD 4.21Å; L162-M589 HydrophobicContact CD1-CE 3.87Å; L162-M589 HydrophobicContact CD2-CB 3.78Å; L162-M589 HydrophobicContact CD2-CE 3.63Å; L162-M589 HydrophobicContact CD2-CG 4.43Å; L162-M589 HydrophobicContact CD2-SD 3.85Å; L162-M589 HydrophobicContact CG-CE 3.94Å; I165-M589 HydrophobicContact CB-SD 4.01Å; I165-M589 HydrophobicContact CD1-CB 4.33Å; I165-M589 HydrophobicContact CG2-CG 3.95Å; I165-M589 HydrophobicContact CG2-SD 3.73Å; L166-M589 HydrophobicContact CD2-SD 4.16Å; L166-M589 HydrophobicContact CG-CE 4.45Å; L166-M589 HydrophobicContact CG-SD 4.08Å; L585-M589 VanDerWaalsContact O-CA 3.26Å; L585-M589 WeakPolarHBondContact O-CA 3.34Å; L585-M589 PolarHBondContact O-N 3.33Å; L585-M589 VanDerWaalsContact O-N 3.13Å; D587-M589 VanDerWaalsContact C-N 3.28Å; D587-M589 PolarHBondContact O-N 2.82Å; M589-T591 PolarHBondContact O-N 3.46Å
590	D	98.1	Very high	98.1	Very high	39 Å²	39	36.7 Å²	36.7	21%	0.209	18%	0.179	C	C	.	.			trans	-69.3	89.8	-177.6	-177.3	1.3	0	0	0	111.3	A584 D587 N588 R592 S593 A594	A584-D590 WeakPolarHBondContact O-CB 3.49Å; A584-D590 PolarHBondContact O-N 3.33Å; D587-D590 WeakPolarHBondContact O-CB 3.39Å; D587-D590 PolarHBondContact O-N 3.31Å; N588-D590 VanDerWaalsContact C-N 3.26Å; N588-D590 PolarHBondContact O-N 3.5Å; D590-R592 VanDerWaalsContact C-N 3.3Å; D590-R592 PolarHBondContact O-N 3.37Å; D590-R592 WeakPolarHBondContact OD1-CB 3.33Å; D590-R592 PolarHBondContact OD1-N 3.43Å; D590-S593 PolarHBondContact OD1-N 2.84Å; D590-S593 WeakPolarHBondContact OD2-CB 3.28Å; D590-S593 PolarHBondContact OD2-OG 2.81Å; D590-A594 WeakPolarHBondContact O-CB 3.43Å; D590-A594 PolarHBondContact O-N 2.84Å; D590-A594 VanDerWaalsContact O-N 3.16Å
591	T	98.1	Very high	98.1	Very high	5 Å²	5	36 Å²	36	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-69	-29.3	178.2	56.5	0	0	0	0	112.2	I161 I165 L514 M589 A594 M595 F638	I161-T591 HydrophobicContact CG2-CG2 3.9Å; I165-T591 HydrophobicContact CD1-CG2 3.7Å; L514-T591 HydrophobicContact CD2-CG2 3.84Å; L514-T591 CarbonylContact O-C 3.37Å; L514-T591 WeakPolarHBondContact O-CB 3.49Å; L514-T591 PolarHBondContact O-OG1 3.47Å; M589-T591 PolarHBondContact O-N 3.46Å; T591-A594 PolarHBondContact O-N 3.35Å; T591-M595 WeakPolarHBondContact O-CB 3.36Å; T591-M595 WeakPolarHBondContact O-CG 3.46Å; T591-M595 PolarHBondContact O-N 3.33Å; T591-F638 HydrophobicContact CG2-CE1 4.35Å
592	R	97.5	Very high	98.1	Very high	152 Å²	152	36 Å²	36	57%	0.574	17%	0.173	S	C	*	.	H	α-helix	trans	-63.9	-50.9	179.8	172.9	179.4	-177.4	-169.3	2.4	110.1	L514 M515 D590 A594 M595 E596	L514-R592 WeakPolarHBondContact O-CA 3.34Å; L514-R592 PolarHBondContact O-N 3.13Å; M515-R592 WeakPolarHBondContact O-CD 3.49Å; M515-R592 VanDerWaalsContact O-CG 3.25Å; M515-R592 WeakPolarHBondContact O-CG 3.37Å; D590-R592 VanDerWaalsContact C-N 3.3Å; D590-R592 PolarHBondContact O-N 3.37Å; D590-R592 WeakPolarHBondContact OD1-CB 3.33Å; D590-R592 PolarHBondContact OD1-N 3.43Å; R592-A594 VanDerWaalsContact C-N 3.34Å; R592-M595 PolarHBondContact O-N 2.83Å; R592-E596 PolarHBondContact O-N 2.8Å; R592-E596 VanDerWaalsContact O-N 3.12Å
593	S	98.3	Very high	98.1	Very high	50 Å²	50	35.4 Å²	35.4	35%	0.35	18%	0.178	S	C	.	.	H	α-helix	trans	-65.2	-40.4	177.9	-62.8	0	0	0	0	111.1	D590 M595 E596 E597	D590-S593 PolarHBondContact OD1-N 2.84Å; D590-S593 WeakPolarHBondContact OD2-CB 3.28Å; D590-S593 PolarHBondContact OD2-OG 2.81Å; S593-M595 VanDerWaalsContact C-N 3.35Å; S593-M595 PolarHBondContact O-N 2.71Å; S593-E596 PolarHBondContact O-N 3.44Å; S593-E597 WeakPolarHBondContact O-CG 3.45Å; S593-E597 PolarHBondContact O-N 2.84Å
594	A	98.5	Very high	98.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.8	-43.2	174.5	0	0	0	0	0	113	V581 A584 L585 D590 T591 R592 E597 M598 F638	V581-A594 HydrophobicContact CG1-CB 4.11Å; A584-A594 HydrophobicContact CB-CB 4.32Å; L585-A594 HydrophobicContact CD2-CB 4.19Å; L585-A594 HydrophobicContact CG-CB 4.37Å; D590-A594 WeakPolarHBondContact O-CB 3.43Å; D590-A594 PolarHBondContact O-N 2.84Å; D590-A594 VanDerWaalsContact O-N 3.16Å; T591-A594 PolarHBondContact O-N 3.35Å; R592-A594 VanDerWaalsContact C-N 3.34Å; A594-E597 PolarHBondContact O-N 3.19Å; A594-M598 VanDerWaalsContact O-CG 3.29Å; A594-M598 WeakPolarHBondContact O-CG 3.36Å; A594-M598 PolarHBondContact O-N 2.88Å; A594-F638 HydrophobicContact CB-CZ 4.31Å
595	M	98.3	Very high	98.1	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-66.1	-36.2	178.8	-70.3	-70.5	-77.1	0	0	112.3	L511 L514 M515 Y535 T591 R592 S593 M598 R599 L635 F638	L511-M595 HydrophobicContact CD2-CE 3.54Å; L514-M595 HydrophobicContact CB-CE 4.16Å; L514-M595 HydrophobicContact CB-CG 4.06Å; L514-M595 HydrophobicContact CB-SD 4.29Å; L514-M595 HydrophobicContact CD1-CE 4.4Å; L514-M595 HydrophobicContact CD1-SD 4.47Å; M515-M595 HydrophobicContact CG-CE 4.37Å; Y535-M595 HydrophobicContact CD1-CE 3.81Å; Y535-M595 HydrophobicContact CE1-CE 3.22Å; Y535-M595 HydrophobicContact CE1-SD 4.34Å; Y535-M595 HydrophobicContact CE2-CB 4.37Å; Y535-M595 HydrophobicContact CE2-CE 4.2Å; Y535-M595 VanDerWaalsContact CZ-CE 3.47Å; Y535-M595 PolarHBondContact OH-O 3.49Å; T591-M595 WeakPolarHBondContact O-CB 3.36Å; T591-M595 WeakPolarHBondContact O-CG 3.46Å; T591-M595 PolarHBondContact O-N 3.33Å; R592-M595 PolarHBondContact O-N 2.83Å; S593-M595 VanDerWaalsContact C-N 3.35Å; S593-M595 PolarHBondContact O-N 2.71Å; M595-M598 HydrophobicContact SD-SD 4.39Å; M595-R599 WeakPolarHBondContact O-CB 3.34Å; M595-R599 PolarHBondContact O-N 3.31Å; M595-L635 HydrophobicContact SD-CD2 4.49Å; M595-F638 HydrophobicContact SD-CD2 3.99Å; M595-F638 HydrophobicContact SD-CE2 3.96Å
596	E	98.2	Very high	98	Very high	81 Å²	81	36.9 Å²	36.9	38%	0.379	18%	0.184	S	C	.	.	H	α-helix	trans	-68.6	-42	174.5	179.1	62.2	176.7	0	0	111.5	R592 S593 M598 R599 L600	R592-E596 PolarHBondContact O-N 2.8Å; R592-E596 VanDerWaalsContact O-N 3.12Å; S593-E596 PolarHBondContact O-N 3.44Å; E596-M598 VanDerWaalsContact C-N 3.29Å; E596-M598 PolarHBondContact O-N 2.86Å; E596-R599 VanDerWaalsContact CD-NH1 3.35Å; E596-R599 WeakPolarHBondContact O-CA 3.47Å; E596-R599 WeakPolarHBondContact O-CB 3.46Å; E596-R599 PolarHBondContact O-N 2.9Å; E596-R599 IonicContact OE1-NH1 3.55Å; E596-R599 PolarHBondContact OE1-NH1 2.92Å; E596-R599 WeakPolarHBondContact OE2-CD 3.49Å; E596-R599 IonicContact OE2-CZ 3.96Å; E596-R599 IonicContact OE2-NH1 2.91Å; E596-R599 PolarHBondContact OE2-NH1 3.4Å; E596-L600 HydrophobicContact CG-CD1 4.43Å; E596-L600 WeakPolarHBondContact O-CG 3.39Å; E596-L600 PolarHBondContact O-N 2.87Å
597	E	98.6	Very high	97.9	Very high	41 Å²	41	40.7 Å²	40.7	19%	0.192	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-36.5	176.3	-67.2	-63	179.5	0	0	112.6	R577 A580 V581 S593 A594 L600 L601	R577-E597 WeakPolarHBondContact CD-OE2 3.23Å; R577-E597 IonicContact CZ-OE2 3.78Å; R577-E597 IonicContact NE-OE2 3.5Å; R577-E597 IonicContact NH1-OE1 2.79Å; R577-E597 PolarHBondContact NH1-OE1 3.27Å; R577-E597 VanDerWaalsContact NH1-OE1 3.13Å; R577-E597 IonicContact NH1-OE2 3.8Å; R577-E597 PolarHBondContact NH1-OE2 3.38Å; A580-E597 HydrophobicContact CB-CG 3.89Å; V581-E597 HydrophobicContact CG2-CB 3.7Å; S593-E597 WeakPolarHBondContact O-CG 3.45Å; S593-E597 PolarHBondContact O-N 2.84Å; A594-E597 PolarHBondContact O-N 3.19Å; E597-L600 PolarHBondContact O-N 2.91Å; E597-L601 PolarHBondContact O-N 2.85Å
598	M	98.5	Very high	97.8	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-63.5	-42	170.6	-72	171.9	59.8	0	0	112	M539 V581 A594 M595 E596 L601 V602 L631 M634 L635 F638	M539-M598 HydrophobicContact CE-CE 4.34Å; V581-M598 HydrophobicContact CG2-CG 4.16Å; A594-M598 VanDerWaalsContact O-CG 3.29Å; A594-M598 WeakPolarHBondContact O-CG 3.36Å; A594-M598 PolarHBondContact O-N 2.88Å; M595-M598 HydrophobicContact SD-SD 4.39Å; E596-M598 VanDerWaalsContact C-N 3.29Å; E596-M598 PolarHBondContact O-N 2.86Å; M598-L601 PolarHBondContact O-N 3.33Å; M598-V602 PolarHBondContact O-N 3.13Å; M598-V602 VanDerWaalsContact O-N 3.09Å; M598-L631 HydrophobicContact CB-CD2 3.69Å; M598-L631 HydrophobicContact CE-CD2 3.83Å; M598-L631 HydrophobicContact CG-CD2 3.69Å; M598-M634 HydrophobicContact CE-CB 3.78Å; M598-M634 HydrophobicContact SD-CB 3.85Å; M598-M634 HydrophobicContact SD-CG 4.35Å; M598-L635 HydrophobicContact CE-CD2 4.05Å; M598-L635 HydrophobicContact CE-CG 3.91Å; M598-F638 HydrophobicContact SD-CE2 3.95Å
599	R	98.2	Very high	97.6	Very high	107 Å²	107	38.7 Å²	38.7	40%	0.404	20%	0.198	S	C	.	.	H	α-helix	trans	-64.2	-42.3	176.7	174.5	175.7	164.8	-88.8	-7.2	111.8	Y535 F538 M595 E596 V602 G603	Y535-R599 HydrophobicContact CE2-CB 3.87Å; F538-R599 HydrophobicContact CD1-CG 4.24Å; F538-R599 HydrophobicContact CE1-CB 4.36Å; F538-R599 HydrophobicContact CE1-CG 3.7Å; F538-R599 HydrophobicContact CZ-CG 4.32Å; M595-R599 WeakPolarHBondContact O-CB 3.34Å; M595-R599 PolarHBondContact O-N 3.31Å; E596-R599 VanDerWaalsContact CD-NH1 3.35Å; E596-R599 WeakPolarHBondContact O-CA 3.47Å; E596-R599 WeakPolarHBondContact O-CB 3.46Å; E596-R599 PolarHBondContact O-N 2.9Å; E596-R599 IonicContact OE1-NH1 3.55Å; E596-R599 PolarHBondContact OE1-NH1 2.92Å; E596-R599 WeakPolarHBondContact OE2-CD 3.49Å; E596-R599 IonicContact OE2-CZ 3.96Å; E596-R599 IonicContact OE2-NH1 2.91Å; E596-R599 PolarHBondContact OE2-NH1 3.4Å; R599-V602 PolarHBondContact O-N 2.97Å; R599-G603 PolarHBondContact O-N 3.49Å
600	L	98.3	Very high	97.4	Very high	72 Å²	72	41.4 Å²	41.4	38%	0.377	22%	0.22	S	C	.	.	H	α-helix	trans	-61.3	-43.2	175.4	-69.5	174.6	0	0	0	111.4	E596 E597 V602 G603 L604	E596-L600 HydrophobicContact CG-CD1 4.43Å; E596-L600 WeakPolarHBondContact O-CG 3.39Å; E596-L600 PolarHBondContact O-N 2.87Å; E597-L600 PolarHBondContact O-N 2.91Å; L600-V602 VanDerWaalsContact C-N 3.33Å; L600-V602 PolarHBondContact O-N 2.83Å; L600-G603 WeakPolarHBondContact O-CA 3.25Å; L600-G603 PolarHBondContact O-N 3.41Å; L600-G603 VanDerWaalsContact O-N 3.12Å; L600-L604 WeakPolarHBondContact O-CG 3.31Å; L600-L604 PolarHBondContact O-N 3.01Å
601	L	98.3	Very high	97.1	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-59.9	-41.9	175.8	178.5	58.1	0	0	0	112.3	F574 R577 E597 M598 L604 S605 I627 Y630 L631	F574-L601 HydrophobicContact CB-CD1 4.14Å; F574-L601 HydrophobicContact CD2-CD1 4.18Å; F574-L601 HydrophobicContact CD2-CD2 3.7Å; F574-L601 HydrophobicContact CE2-CD2 4.13Å; R577-L601 HydrophobicContact CB-CB 4.24Å; R577-L601 HydrophobicContact CG-CB 4.25Å; E597-L601 PolarHBondContact O-N 2.85Å; M598-L601 PolarHBondContact O-N 3.33Å; L601-L604 PolarHBondContact O-N 3.27Å; L601-S605 WeakPolarHBondContact O-CB 3.45Å; L601-S605 PolarHBondContact O-N 3.27Å; L601-S605 PolarHBondContact O-OG 2.63Å; L601-I627 HydrophobicContact CD1-CG2 4.32Å; L601-I627 HydrophobicContact CD2-CG2 3.98Å; L601-I627 HydrophobicContact CG-CG2 3.95Å; L601-Y630 HydrophobicContact CD2-CD1 4.33Å; L601-Y630 HydrophobicContact CD2-CE1 4.49Å; L601-L631 HydrophobicContact CD2-CD2 4.21Å; L601-L631 HydrophobicContact CD2-CG 4.43Å
602	V	98.3	Very high	96.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.3	-41.5	173.7	171.3	0	0	0	0	111.3	F538 M539 F542 M598 R599 L600 S605 N606 L631	F538-V602 HydrophobicContact CD1-CG1 4.17Å; F538-V602 HydrophobicContact CE1-CB 3.64Å; F538-V602 HydrophobicContact CE1-CG1 3.38Å; F538-V602 HydrophobicContact CE2-CG1 4.23Å; F538-V602 HydrophobicContact CZ-CB 3.94Å; F538-V602 HydrophobicContact CZ-CG1 3.43Å; F538-V602 VanDerWaalsContact CZ-CG1 3.43Å; M539-V602 HydrophobicContact CE-CG2 3.97Å; M539-V602 HydrophobicContact SD-CB 4.48Å; M539-V602 HydrophobicContact SD-CG2 3.7Å; F542-V602 HydrophobicContact CB-CG1 3.47Å; F542-V602 VanDerWaalsContact CB-CG1 3.47Å; F542-V602 HydrophobicContact CB-CG2 4.46Å; F542-V602 HydrophobicContact CD1-CG1 4.23Å; F542-V602 HydrophobicContact CD1-CG2 3.8Å; F542-V602 HydrophobicContact CD2-CG1 3.89Å; F542-V602 HydrophobicContact CE1-CG2 4.19Å; F542-V602 HydrophobicContact CG-CB 4.37Å; F542-V602 HydrophobicContact CG-CG1 3.58Å; F542-V602 HydrophobicContact CG-CG2 4.02Å; M598-V602 PolarHBondContact O-N 3.13Å; M598-V602 VanDerWaalsContact O-N 3.09Å; R599-V602 PolarHBondContact O-N 2.97Å; L600-V602 VanDerWaalsContact C-N 3.33Å; L600-V602 PolarHBondContact O-N 2.83Å; V602-S605 PolarHBondContact O-N 2.65Å; V602-N606 WeakPolarHBondContact O-CB 3.26Å; V602-N606 PolarHBondContact O-N 3.07Å; V602-N606 PolarHBondContact O-ND2 3.48Å; V602-L631 HydrophobicContact CG2-CD1 3.42Å; V602-L631 VanDerWaalsContact CG2-CD1 3.42Å
603	G	97.8	Very high	96.3	Very high	26 Å²	26	37.3 Å²	37.3	27%	0.268	21%	0.212	S	C	.	.	H	α-helix	trans	-55.8	-51.1	174.6	0	0	0	0	0	112.6	R599 L600 S605 N606 S607	R599-G603 PolarHBondContact O-N 3.49Å; L600-G603 WeakPolarHBondContact O-CA 3.25Å; L600-G603 PolarHBondContact O-N 3.41Å; L600-G603 VanDerWaalsContact O-N 3.12Å; G603-S605 VanDerWaalsContact C-N 3.31Å; G603-S605 PolarHBondContact O-N 3.14Å; G603-N606 PolarHBondContact O-N 3.25Å; G603-S607 PolarHBondContact O-N 3.1Å; G603-S607 PolarHBondContact O-OG 3.29Å
604	L	97.6	Very high	95.8	Very high	76 Å²	76	39.5 Å²	39.5	40%	0.398	23%	0.227	S	C	.	.	H	α-helix	trans	-59.5	-42	176.5	-67	172.8	0	0	0	112	L570 L600 L601 S607 Y608	L570-L604 HydrophobicContact CD1-CB 4.27Å; L600-L604 WeakPolarHBondContact O-CG 3.31Å; L600-L604 PolarHBondContact O-N 3.01Å; L601-L604 PolarHBondContact O-N 3.27Å; L604-S607 PolarHBondContact O-N 3.29Å; L604-Y608 WeakPolarHBondContact O-CB 3.14Å; L604-Y608 PolarHBondContact O-N 3.25Å
605	S	97.5	Very high	95.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65.7	-40.8	178.5	-55.6	0	0	0	0	112	F542 L601 V602 G603 Y608 I609	F542-S605 VanDerWaalsContact CE2-CB 3.49Å; L601-S605 WeakPolarHBondContact O-CB 3.45Å; L601-S605 PolarHBondContact O-N 3.27Å; L601-S605 PolarHBondContact O-OG 2.63Å; V602-S605 PolarHBondContact O-N 2.65Å; G603-S605 VanDerWaalsContact C-N 3.31Å; G603-S605 PolarHBondContact O-N 3.14Å; S605-Y608 WeakPolarHBondContact O-CB 3.31Å; S605-Y608 PolarHBondContact O-N 3.36Å; S605-I609 VanDerWaalsContact O-CG1 3.28Å; S605-I609 WeakPolarHBondContact O-CG1 3.44Å; S605-I609 PolarHBondContact O-N 2.85Å
606	N	96.8	Very high	94.7	Very high	44 Å²	44	52 Å²	52	24%	0.235	29%	0.29	C	S	.	.	H	α-helix	trans	-65.9	-41.8	175.9	-77.3	-24.8	0	0	0	111.8	V602 G603 Y608 I609 A610	V602-N606 WeakPolarHBondContact O-CB 3.26Å; V602-N606 PolarHBondContact O-N 3.07Å; V602-N606 PolarHBondContact O-ND2 3.48Å; G603-N606 PolarHBondContact O-N 3.25Å; N606-Y608 VanDerWaalsContact C-N 3.33Å; N606-Y608 PolarHBondContact O-N 3.03Å; N606-I609 PolarHBondContact O-N 3.24Å; N606-A610 WeakPolarHBondContact O-CB 3.4Å; N606-A610 PolarHBondContact O-N 2.75Å
607	S	96.3	Very high	94.1	Very high	85 Å²	85	52.3 Å²	52.3	59%	0.594	29%	0.294	S	S	*	.	H	α-helix	trans	-60.6	-42.5	173.5	-67.8	0	0	0	0	111.7	G603 L604 A610 G611	G603-S607 PolarHBondContact O-N 3.1Å; G603-S607 PolarHBondContact O-OG 3.29Å; L604-S607 PolarHBondContact O-N 3.29Å; S607-A610 PolarHBondContact O-N 3.26Å; S607-G611 PolarHBondContact O-N 2.97Å
608	Y	96.3	Very high	93.4	Very high	21 Å²	21	57.3 Å²	57.3	8%	0.082	31%	0.311	C	S	.	.	H	α-helix	trans	-61.3	-49.6	173.5	166.9	-101.1	0	0	0	112	E566 E567 L570 L604 S605 N606 A610 G611 R612 P619 N620 L624	E566-Y608 HydrophobicContact CB-CD2 4.32Å; E566-Y608 HydrophobicContact CB-CE2 4.16Å; E567-Y608 HydrophobicContact CG-CE2 4.4Å; E567-Y608 WeakPolarHBondContact OE1-CE2 3.37Å; E567-Y608 PolarHBondContact OE1-OH 3.35Å; L570-Y608 HydrophobicContact CD2-CD1 3.52Å; L570-Y608 HydrophobicContact CD2-CD2 4.2Å; L570-Y608 HydrophobicContact CD2-CE1 4.05Å; L570-Y608 HydrophobicContact CD2-CG 3.61Å; L604-Y608 WeakPolarHBondContact O-CB 3.14Å; L604-Y608 PolarHBondContact O-N 3.25Å; S605-Y608 WeakPolarHBondContact O-CB 3.31Å; S605-Y608 PolarHBondContact O-N 3.36Å; N606-Y608 VanDerWaalsContact C-N 3.33Å; N606-Y608 PolarHBondContact O-N 3.03Å; Y608-A610 VanDerWaalsContact C-N 3.32Å; Y608-A610 PolarHBondContact O-N 3.4Å; Y608-G611 PolarHBondContact O-N 3.35Å; Y608-R612 HydrophobicContact CD2-CG 4.1Å; Y608-R612 HydrophobicContact CE1-CG 4.25Å; Y608-R612 HydrophobicContact CE2-CG 3.66Å; Y608-R612 WeakPolarHBondContact O-CG 3.36Å; Y608-R612 PolarHBondContact O-N 2.9Å; Y608-P619 HydrophobicContact CE1-CB 3.82Å; Y608-N620 WeakPolarHBondContact OH-CB 3.28Å; Y608-N620 PolarHBondContact OH-N 3.29Å; Y608-L624 HydrophobicContact CD1-CD2 4.25Å; Y608-L624 HydrophobicContact CE1-CD1 4.43Å; Y608-L624 HydrophobicContact CE1-CD2 4.46Å; Y608-L624 HydrophobicContact CE1-CG 4.41Å
609	I	93.4	Very high	93	Very high	9 Å²	9	57.8 Å²	57.8	5%	0.046	31%	0.314	C	S	.	.	H	α-helix	trans	-57.3	-46.6	177.6	-69.2	163.7	0	0	0	110.7	F542 S605 N606 R612 K613 P619 L624	F542-I609 HydrophobicContact CE2-CD1 4.48Å; S605-I609 VanDerWaalsContact O-CG1 3.28Å; S605-I609 WeakPolarHBondContact O-CG1 3.44Å; S605-I609 PolarHBondContact O-N 2.85Å; N606-I609 PolarHBondContact O-N 3.24Å; I609-R612 PolarHBondContact O-N 2.91Å; I609-K613 HydrophobicContact CG2-CD 4.18Å; I609-K613 HydrophobicContact CG2-CG 4.5Å; I609-K613 WeakPolarHBondContact O-CB 3.28Å; I609-K613 WeakPolarHBondContact O-CG 3.42Å; I609-K613 PolarHBondContact O-N 3.46Å; I609-P619 HydrophobicContact CG1-CB 4.41Å; I609-P619 HydrophobicContact CG1-CG 4.43Å; I609-P619 HydrophobicContact CG2-CG 4.31Å; I609-L624 HydrophobicContact CD1-CD1 3.97Å; I609-L624 HydrophobicContact CD1-CD2 3.99Å; I609-L624 HydrophobicContact CG1-CD1 3.76Å; I609-L624 HydrophobicContact CG1-CD2 4.08Å
610	A	92.3	Very high	92.7	Very high	57 Å²	57	52.8 Å²	52.8	47%	0.471	30%	0.295	S	S	.	.	H	α-helix	trans	-63.9	-42.9	178.8	0	0	0	0	0	112	N606 S607 Y608 K613 S614	N606-A610 WeakPolarHBondContact O-CB 3.4Å; N606-A610 PolarHBondContact O-N 2.75Å; S607-A610 PolarHBondContact O-N 3.26Å; Y608-A610 VanDerWaalsContact C-N 3.32Å; Y608-A610 PolarHBondContact O-N 3.4Å; A610-K613 PolarHBondContact O-N 3.15Å; A610-S614 WeakPolarHBondContact O-CB 3.45Å; A610-S614 PolarHBondContact O-N 2.91Å
611	G	92.8	Very high	92.3	Very high	27 Å²	27	50.4 Å²	50.4	28%	0.278	28%	0.281	S	S	.	.	H	α-helix	trans	-57.2	-52.2	175.2	0	0	0	0	0	111.9	S607 Y608 K613 S614 S615	S607-G611 PolarHBondContact O-N 2.97Å; Y608-G611 PolarHBondContact O-N 3.35Å; G611-K613 PolarHBondContact O-N 2.73Å; G611-S614 PolarHBondContact O-N 3.04Å; G611-S614 PolarHBondContact O-OG 2.86Å; G611-S615 PolarHBondContact O-N 3.49Å; G611-S615 VanDerWaalsContact O-N 3.08Å; G611-S615 PolarHBondContact O-OG 2.83Å
612	R	90.8	Very high	92	Very high	24 Å²	24	53.6 Å²	53.6	9%	0.091	30%	0.298	C	S	.	.	H	α-helix	trans	-59.5	-46	176.6	-59.5	-61.5	-97.6	-175.1	-8.3	111.8	E566 E567 Y608 I609 S614 S615 K616 L617 P619	E566-R612 WeakPolarHBondContact OE2-CD 3.36Å; E566-R612 IonicContact OE2-CZ 2.89Å; E566-R612 IonicContact OE2-NE 2.65Å; E566-R612 IonicContact OE2-NH1 3.23Å; E566-R612 PolarHBondContact OE2-NH1 2.94Å; E567-R612 IonicContact OE1-CZ 2.73Å; E567-R612 IonicContact OE1-NE 3.54Å; E567-R612 PolarHBondContact OE1-NE 3.14Å; E567-R612 IonicContact OE1-NH1 3.5Å; E567-R612 IonicContact OE1-NH2 3.59Å; E567-R612 PolarHBondContact OE1-NH2 3.26Å; E567-R612 IonicContact OE2-NH2 3Å; Y608-R612 HydrophobicContact CD2-CG 4.1Å; Y608-R612 HydrophobicContact CE1-CG 4.25Å; Y608-R612 HydrophobicContact CE2-CG 3.66Å; Y608-R612 WeakPolarHBondContact O-CG 3.36Å; Y608-R612 PolarHBondContact O-N 2.9Å; I609-R612 PolarHBondContact O-N 2.91Å; R612-S614 VanDerWaalsContact C-N 3.34Å; R612-S614 PolarHBondContact O-N 3.42Å; R612-S615 CarbonylContact O-C 3.49Å; R612-S615 PolarHBondContact O-N 2.91Å; R612-K616 PolarHBondContact O-N 3.14Å; R612-K616 VanDerWaalsContact O-N 3.14Å; R612-L617 CarbonylContact C-O 3.47Å; R612-L617 HydrophobicContact CB-CB 4.39Å; R612-L617 PolarHBondContact O-N 3.31Å; R612-L617 VanDerWaalsContact O-O 3.1Å; R612-P619 HydrophobicContact CB-CG 4.13Å
613	K	86.8	Confident	91.8	Very high	60 Å²	60	53.7 Å²	53.7	26%	0.261	30%	0.299	S	S	.	.	H	α-helix	trans	-57.8	-43.9	176.7	-78	-176	178.6	-171.1	0	112	I609 A610 G611 S615 K616	I609-K613 HydrophobicContact CG2-CD 4.18Å; I609-K613 HydrophobicContact CG2-CG 4.5Å; I609-K613 WeakPolarHBondContact O-CB 3.28Å; I609-K613 WeakPolarHBondContact O-CG 3.42Å; I609-K613 PolarHBondContact O-N 3.46Å; A610-K613 PolarHBondContact O-N 3.15Å; G611-K613 PolarHBondContact O-N 2.73Å; K613-S615 VanDerWaalsContact C-N 3.31Å; K613-S615 PolarHBondContact O-N 3.29Å; K613-K616 PolarHBondContact O-N 3.01Å
614	S	88.3	Confident	91.7	Very high	95 Å²	95	52.5 Å²	52.5	66%	0.664	29%	0.286	S	S	*	.	H	α-helix	trans	-63.1	-36.9	178.4	76.6	0	0	0	0	112.6	A610 G611 R612 K616	A610-S614 WeakPolarHBondContact O-CB 3.45Å; A610-S614 PolarHBondContact O-N 2.91Å; G611-S614 PolarHBondContact O-N 3.04Å; G611-S614 PolarHBondContact O-OG 2.86Å; R612-S614 VanDerWaalsContact C-N 3.34Å; R612-S614 PolarHBondContact O-N 3.42Å; S614-K616 PolarHBondContact O-N 3.02Å
615	S	88.3	Confident	91.5	Very high	71 Å²	71	52.6 Å²	52.6	50%	0.497	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	4.7	174.7	-60.6	0	0	0	0	113.6	G611 R612 K613 L617	G611-S615 PolarHBondContact O-N 3.49Å; G611-S615 VanDerWaalsContact O-N 3.08Å; G611-S615 PolarHBondContact O-OG 2.83Å; R612-S615 CarbonylContact O-C 3.49Å; R612-S615 PolarHBondContact O-N 2.91Å; K613-S615 VanDerWaalsContact C-N 3.31Å; K613-S615 PolarHBondContact O-N 3.29Å; S615-L617 PolarHBondContact O-N 3.25Å
616	K	85.8	Confident	91.4	Very high	193 Å²	193	55.7 Å²	55.7	84%	0.839	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	27.5	-174.6	-55.7	179.9	-178.8	178.2	0	113.6	R612 K613 S614	R612-K616 PolarHBondContact O-N 3.14Å; R612-K616 VanDerWaalsContact O-N 3.14Å; K613-K616 PolarHBondContact O-N 3.01Å; S614-K616 PolarHBondContact O-N 3.02Å
617	L	84.9	Confident	91.5	Very high	88 Å²	88	53.6 Å²	53.6	46%	0.461	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-99.6	153.6	174.8	-63.5	176.8	0	0	0	110.4	R612 S615	R612-L617 CarbonylContact C-O 3.47Å; R612-L617 HydrophobicContact CB-CB 4.39Å; R612-L617 PolarHBondContact O-N 3.31Å; R612-L617 VanDerWaalsContact O-O 3.1Å; S615-L617 PolarHBondContact O-N 3.25Å
618	R	84.4	Confident	91.5	Very high	146 Å²	146	49.5 Å²	49.5	55%	0.551	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-82.2	138	173	-69.3	-175.2	175.5	-168.6	-2.6	109.9	P553	P553-R618 PolarHBondContact O-NH1 3.04Å
619	P	90.5	Very high	91.5	Very high	11 Å²	11	50.6 Å²	50.6	7%	0.071	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-70.1	147.4	170.6	-16.7	29.9	0	0	0	112.1	V549 Y608 I609 R612 R621 L624	V549-P619 HydrophobicContact CG2-CG 4.34Å; Y608-P619 HydrophobicContact CE1-CB 3.82Å; I609-P619 HydrophobicContact CG1-CB 4.41Å; I609-P619 HydrophobicContact CG1-CG 4.43Å; I609-P619 HydrophobicContact CG2-CG 4.31Å; R612-P619 HydrophobicContact CB-CG 4.13Å; P619-R621 PolarHBondContact O-N 3.19Å; P619-R621 VanDerWaalsContact O-N 3.15Å; P619-L624 HydrophobicContact CB-CD1 3.61Å
620	N	91.1	Very high	91.7	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.011	28%	0.28	C	S	.	.			trans	-66.1	113.7	178.5	-170	-69.4	0	0	0	111.4	E561 E567 Y608 L622 L623 L624	E561-N620 WeakPolarHBondContact OE2-CA 3.32Å; E567-N620 HydrophobicContact CG-CB 3.76Å; Y608-N620 WeakPolarHBondContact OH-CB 3.28Å; Y608-N620 PolarHBondContact OH-N 3.29Å; N620-L622 PolarHBondContact OD1-N 3.23Å; N620-L623 HydrophobicContact CB-CB 4.18Å; N620-L623 PolarHBondContact OD1-N 2.9Å; N620-L624 WeakPolarHBondContact O-CG 3.31Å; N620-L624 PolarHBondContact O-N 2.78Å
621	R	91.1	Very high	92	Very high	23 Å²	23	48.7 Å²	48.7	9%	0.087	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-49.1	-173.3	-54	175.3	75.2	83.9	-7.8	112.8	V549 L550 A552 P619 L624 Q625	V549-R621 HydrophobicContact CG1-CG 4.29Å; V549-R621 PolarHBondContact O-NH1 3.07Å; V549-R621 PolarHBondContact O-NH2 3.21Å; V549-R621 VanDerWaalsContact O-NH2 3.15Å; L550-R621 HydrophobicContact CD2-CB 3.98Å; L550-R621 PolarHBondContact O-NH2 3.47Å; A552-R621 PolarHBondContact O-NH1 3.45Å; A552-R621 PolarHBondContact O-NH2 2.92Å; P619-R621 PolarHBondContact O-N 3.19Å; P619-R621 VanDerWaalsContact O-N 3.15Å; R621-L624 PolarHBondContact O-N 2.88Å; R621-Q625 VanDerWaalsContact O-CB 3.31Å; R621-Q625 WeakPolarHBondContact O-CB 3.4Å; R621-Q625 PolarHBondContact O-N 3.49Å
622	L	91.1	Very high	92.2	Very high	67 Å²	67	47.5 Å²	47.5	35%	0.351	24%	0.244	S	C	.	.	H	α-helix	trans	-71.3	-36.2	-172.6	-64.2	178.2	0	0	0	111.8	F560 N620 S626	F560-L622 HydrophobicContact CD1-CD1 3.87Å; F560-L622 HydrophobicContact CE1-CD1 4.08Å; N620-L622 PolarHBondContact OD1-N 3.23Å; L622-S626 WeakPolarHBondContact O-CB 3.36Å; L622-S626 PolarHBondContact O-N 3.36Å; L622-S626 PolarHBondContact O-OG 2.82Å
623	L	94.5	Very high	92.4	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.016	26%	0.258	C	S	.	.	H	α-helix	trans	-64.6	-50	175.1	179.5	55.5	0	0	0	110.8	E567 L570 N571 N620 Q625 S626 I627	E567-L623 HydrophobicContact CB-CD2 4.18Å; E567-L623 HydrophobicContact CG-CD2 4.39Å; L570-L623 HydrophobicContact CB-CD2 4.11Å; L570-L623 HydrophobicContact CD2-CD2 3.79Å; L570-L623 HydrophobicContact CD2-CG 4.23Å; L570-L623 HydrophobicContact CG-CD2 4.02Å; N571-L623 HydrophobicContact CB-CD1 3.93Å; N571-L623 HydrophobicContact CB-CD2 4.42Å; N620-L623 HydrophobicContact CB-CB 4.18Å; N620-L623 PolarHBondContact OD1-N 2.9Å; L623-Q625 VanDerWaalsContact C-N 3.33Å; L623-Q625 PolarHBondContact O-N 3.23Å; L623-S626 PolarHBondContact O-N 3.24Å; L623-I627 HydrophobicContact CD1-CD1 4.18Å; L623-I627 HydrophobicContact CG-CD1 4.24Å; L623-I627 WeakPolarHBondContact O-CG1 3.4Å; L623-I627 PolarHBondContact O-N 3.48Å
624	L	95.4	Very high	93	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.7	-39.5	177.1	-70.6	176.3	0	0	0	112.4	V546 V549 Y608 I609 P619 N620 R621 S626 I627 A628	V546-L624 HydrophobicContact CG1-CB 4.15Å; V546-L624 HydrophobicContact CG2-CB 4.24Å; V549-L624 HydrophobicContact CG1-CD1 4.25Å; V549-L624 HydrophobicContact CG2-CD1 4.47Å; Y608-L624 HydrophobicContact CD1-CD2 4.25Å; Y608-L624 HydrophobicContact CE1-CD1 4.43Å; Y608-L624 HydrophobicContact CE1-CD2 4.46Å; Y608-L624 HydrophobicContact CE1-CG 4.41Å; I609-L624 HydrophobicContact CD1-CD1 3.97Å; I609-L624 HydrophobicContact CD1-CD2 3.99Å; I609-L624 HydrophobicContact CG1-CD1 3.76Å; I609-L624 HydrophobicContact CG1-CD2 4.08Å; P619-L624 HydrophobicContact CB-CD1 3.61Å; N620-L624 WeakPolarHBondContact O-CG 3.31Å; N620-L624 PolarHBondContact O-N 2.78Å; R621-L624 PolarHBondContact O-N 2.88Å; L624-S626 VanDerWaalsContact C-N 3.35Å; L624-S626 PolarHBondContact O-N 3.07Å; L624-I627 PolarHBondContact O-N 3.18Å; L624-A628 VanDerWaalsContact O-CB 3.3Å; L624-A628 WeakPolarHBondContact O-CB 3.31Å; L624-A628 PolarHBondContact O-N 3.47Å
625	Q	93.9	Very high	93.4	Very high	79 Å²	79	41.3 Å²	41.3	37%	0.369	22%	0.215	S	C	.	.	H	α-helix	trans	-58.8	-46.8	173.1	-173.7	174.2	17.7	0	0	111.4	L550 R621 L623 I627 A628 S629 I647	L550-Q625 HydrophobicContact CD1-CB 4.07Å; L550-Q625 HydrophobicContact CD1-CG 4.02Å; L550-Q625 HydrophobicContact CD2-CB 4.04Å; R621-Q625 VanDerWaalsContact O-CB 3.31Å; R621-Q625 WeakPolarHBondContact O-CB 3.4Å; R621-Q625 PolarHBondContact O-N 3.49Å; L623-Q625 VanDerWaalsContact C-N 3.33Å; L623-Q625 PolarHBondContact O-N 3.23Å; Q625-I627 VanDerWaalsContact C-N 3.34Å; Q625-I627 PolarHBondContact O-N 2.88Å; Q625-A628 PolarHBondContact O-N 3.34Å; Q625-S629 WeakPolarHBondContact O-CB 3.35Å; Q625-S629 PolarHBondContact O-N 2.87Å; Q625-S629 PolarHBondContact O-OG 2.98Å; Q625-S629 VanDerWaalsContact O-OG 3.13Å; Q625-I647 HydrophobicContact CG-CD1 4.23Å
626	S	95.6	Very high	93.8	Very high	64 Å²	64	40.9 Å²	40.9	45%	0.448	20%	0.204	S	C	.	.	H	α-helix	trans	-62.1	-42.4	-179.1	-60.2	0	0	0	0	111.9	L622 L623 L624 Y630	L622-S626 WeakPolarHBondContact O-CB 3.36Å; L622-S626 PolarHBondContact O-N 3.36Å; L622-S626 PolarHBondContact O-OG 2.82Å; L623-S626 PolarHBondContact O-N 3.24Å; L624-S626 VanDerWaalsContact C-N 3.35Å; L624-S626 PolarHBondContact O-N 3.07Å; S626-Y630 WeakPolarHBondContact O-CB 3.25Å; S626-Y630 PolarHBondContact O-N 3.43Å
627	I	97.8	Very high	94.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.5	-49.4	175.4	-68.1	168.1	0	0	0	110.4	F542 L570 F574 L601 L623 L624 Q625 S629 Y630 L631	F542-I627 HydrophobicContact CE1-CG2 4.38Å; F542-I627 HydrophobicContact CZ-CG2 3.94Å; L570-I627 HydrophobicContact CD1-CD1 4.28Å; L570-I627 HydrophobicContact CD2-CD1 4.16Å; L570-I627 HydrophobicContact CG-CD1 4.1Å; F574-I627 HydrophobicContact CB-CD1 4.31Å; F574-I627 HydrophobicContact CB-CG1 4.16Å; F574-I627 HydrophobicContact CD1-CG1 3.87Å; F574-I627 HydrophobicContact CD2-CG1 3.88Å; F574-I627 HydrophobicContact CE1-CG1 4.19Å; F574-I627 HydrophobicContact CE2-CG1 4.21Å; F574-I627 HydrophobicContact CG-CD1 4.38Å; F574-I627 HydrophobicContact CG-CG1 3.7Å; F574-I627 HydrophobicContact CZ-CG1 4.35Å; L601-I627 HydrophobicContact CD1-CG2 4.32Å; L601-I627 HydrophobicContact CD2-CG2 3.98Å; L601-I627 HydrophobicContact CG-CG2 3.95Å; L623-I627 HydrophobicContact CD1-CD1 4.18Å; L623-I627 HydrophobicContact CG-CD1 4.24Å; L623-I627 WeakPolarHBondContact O-CG1 3.4Å; L623-I627 PolarHBondContact O-N 3.48Å; L624-I627 PolarHBondContact O-N 3.18Å; Q625-I627 VanDerWaalsContact C-N 3.34Å; Q625-I627 PolarHBondContact O-N 2.88Å; I627-S629 PolarHBondContact O-N 3.37Å; I627-Y630 PolarHBondContact O-N 3.29Å; I627-L631 HydrophobicContact CG2-CD1 3.93Å; I627-L631 WeakPolarHBondContact O-CG 3.33Å; I627-L631 PolarHBondContact O-N 3.48Å
628	A	97.1	Very high	94.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.1	-40.7	-178.7	0	0	0	0	0	112.3	F542 F543 V546 L624 Q625 L631 T632 I647	F542-A628 HydrophobicContact CE1-CB 4.08Å; F542-A628 HydrophobicContact CZ-CB 4.48Å; F543-A628 HydrophobicContact CD1-CB 4.19Å; F543-A628 HydrophobicContact CE1-CB 4.38Å; V546-A628 HydrophobicContact CB-CB 4.26Å; V546-A628 HydrophobicContact CG1-CB 3.83Å; V546-A628 HydrophobicContact CG2-CB 4.3Å; L624-A628 VanDerWaalsContact O-CB 3.3Å; L624-A628 WeakPolarHBondContact O-CB 3.31Å; L624-A628 PolarHBondContact O-N 3.47Å; Q625-A628 PolarHBondContact O-N 3.34Å; A628-L631 PolarHBondContact O-N 2.95Å; A628-T632 VanDerWaalsContact O-CB 3.28Å; A628-T632 WeakPolarHBondContact O-CB 3.09Å; A628-T632 PolarHBondContact O-N 3.08Å; A628-T632 PolarHBondContact O-OG1 3.42Å; A628-I647 HydrophobicContact CB-CD1 4.43Å; A628-I647 HydrophobicContact CB-CG2 3.82Å
629	S	96.4	Very high	95.4	Very high	44 Å²	44	21.8 Å²	21.8	31%	0.308	12%	0.123	S	C	.	.	H	α-helix	trans	-65.3	-38.8	174.7	-68	0	0	0	0	112.2	Q625 I627 T632 A633	Q625-S629 WeakPolarHBondContact O-CB 3.35Å; Q625-S629 PolarHBondContact O-N 2.87Å; Q625-S629 PolarHBondContact O-OG 2.98Å; Q625-S629 VanDerWaalsContact O-OG 3.13Å; I627-S629 PolarHBondContact O-N 3.37Å; S629-T632 PolarHBondContact O-N 3.28Å; S629-A633 WeakPolarHBondContact O-CB 3.14Å; S629-A633 PolarHBondContact O-N 3.28Å
630	Y	97.6	Very high	95.7	Very high	25 Å²	25	21.5 Å²	21.5	10%	0.098	12%	0.121	C	C	.	.	H	α-helix	trans	-62.3	-49.7	173.5	168.9	-103.4	0	0	0	112.1	F574 K578 V581 L601 S626 I627 T632 A633 M634	F574-Y630 AromaticContact CE2-CD1 3.69Å; F574-Y630 HydrophobicContact CE2-CD1 3.69Å; F574-Y630 HydrophobicContact CE2-CE1 4.42Å; F574-Y630 AromaticContact CE2-CG 3.82Å; F574-Y630 HydrophobicContact CE2-CG 3.82Å; F574-Y630 HydrophobicContact CZ-CD1 4.45Å; F574-Y630 HydrophobicContact CZ-CG 4.14Å; K578-Y630 HydrophobicContact CB-CE1 4.48Å; K578-Y630 HydrophobicContact CD-CD2 4.17Å; K578-Y630 HydrophobicContact CD-CE2 3.93Å; K578-Y630 HydrophobicContact CG-CD2 4.44Å; K578-Y630 HydrophobicContact CG-CE1 4.5Å; K578-Y630 HydrophobicContact CG-CE2 3.74Å; V581-Y630 WeakPolarHBondContact CB-OH 3.45Å; V581-Y630 WeakPolarHBondContact CG1-OH 3.19Å; L601-Y630 HydrophobicContact CD2-CD1 4.33Å; L601-Y630 HydrophobicContact CD2-CE1 4.49Å; S626-Y630 WeakPolarHBondContact O-CB 3.25Å; S626-Y630 PolarHBondContact O-N 3.43Å; I627-Y630 PolarHBondContact O-N 3.29Å; Y630-T632 VanDerWaalsContact C-N 3.29Å; Y630-T632 PolarHBondContact O-N 3.29Å; Y630-A633 WeakPolarHBondContact O-CB 3.26Å; Y630-A633 PolarHBondContact O-N 2.96Å; Y630-A633 VanDerWaalsContact O-N 3.15Å; Y630-M634 HydrophobicContact CD2-CG 4.35Å; Y630-M634 HydrophobicContact CE1-CG 4.08Å; Y630-M634 HydrophobicContact CE2-CG 3.82Å; Y630-M634 HydrophobicContact CE2-SD 4Å; Y630-M634 PolarHBondContact O-N 2.92Å
631	L	97.8	Very high	95.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.4	-40.5	178.5	-69.3	170.3	0	0	0	111.6	M539 F542 F543 M598 L601 V602 I627 A628 M634 L635	M539-L631 HydrophobicContact CE-CB 4.25Å; M539-L631 HydrophobicContact CE-CD1 4.21Å; M539-L631 HydrophobicContact CE-CD2 4.22Å; M539-L631 HydrophobicContact CE-CG 4.47Å; F542-L631 HydrophobicContact CD1-CD1 4.14Å; F542-L631 HydrophobicContact CE1-CD1 3.63Å; F542-L631 HydrophobicContact CZ-CD1 4.41Å; F543-L631 HydrophobicContact CE1-CB 3.97Å; F543-L631 HydrophobicContact CZ-CB 3.98Å; M598-L631 HydrophobicContact CB-CD2 3.69Å; M598-L631 HydrophobicContact CE-CD2 3.83Å; M598-L631 HydrophobicContact CG-CD2 3.69Å; L601-L631 HydrophobicContact CD2-CD2 4.21Å; L601-L631 HydrophobicContact CD2-CG 4.43Å; V602-L631 HydrophobicContact CG2-CD1 3.42Å; V602-L631 VanDerWaalsContact CG2-CD1 3.42Å; I627-L631 HydrophobicContact CG2-CD1 3.93Å; I627-L631 WeakPolarHBondContact O-CG 3.33Å; I627-L631 PolarHBondContact O-N 3.48Å; A628-L631 PolarHBondContact O-N 2.95Å; L631-M634 PolarHBondContact O-N 3.28Å; L631-L635 WeakPolarHBondContact O-CG 3.35Å; L631-L635 PolarHBondContact O-N 2.91Å
632	T	96.6	Very high	95.2	Very high	2 Å²	2	27 Å²	27	1%	0.012	15%	0.147	C	C	.	.	H	α-helix	trans	-61	-45.6	174	-57.7	0	0	0	0	110.9	A628 S629 Y630 M634 L635 K636 I641 G648	A628-T632 VanDerWaalsContact O-CB 3.28Å; A628-T632 WeakPolarHBondContact O-CB 3.09Å; A628-T632 PolarHBondContact O-N 3.08Å; A628-T632 PolarHBondContact O-OG1 3.42Å; S629-T632 PolarHBondContact O-N 3.28Å; Y630-T632 VanDerWaalsContact C-N 3.29Å; Y630-T632 PolarHBondContact O-N 3.29Å; T632-M634 PolarHBondContact O-N 2.92Å; T632-L635 PolarHBondContact O-N 3.49Å; T632-K636 HydrophobicContact CG2-CD 4.38Å; T632-K636 WeakPolarHBondContact O-CG 3.35Å; T632-K636 PolarHBondContact O-N 3.2Å; T632-I641 HydrophobicContact CG2-CD1 3.94Å; T632-G648 PolarHBondContact OG1-N 3.32Å
633	A	96.3	Very high	94.3	Very high	45 Å²	45	24.9 Å²	24.9	37%	0.372	14%	0.142	S	C	.	.	H	α-helix	trans	-61.8	-41.7	177.4	0	0	0	0	0	112.2	S629 Y630 K636 I637	S629-A633 WeakPolarHBondContact O-CB 3.14Å; S629-A633 PolarHBondContact O-N 3.28Å; Y630-A633 WeakPolarHBondContact O-CB 3.26Å; Y630-A633 PolarHBondContact O-N 2.96Å; Y630-A633 VanDerWaalsContact O-N 3.15Å; A633-K636 WeakPolarHBondContact O-CB 3.43Å; A633-K636 PolarHBondContact O-N 3.1Å; A633-I637 VanDerWaalsContact O-CG1 3.32Å; A633-I637 WeakPolarHBondContact O-CG1 3.16Å; A633-I637 PolarHBondContact O-N 3.44Å
634	M	97.8	Very high	93.1	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.02	18%	0.175	C	C	.	.	H	α-helix	trans	-62.9	-45.7	175.2	-69.6	-52.7	-55.7	0	0	112.1	Y169 V581 L585 M598 Y630 L631 T632 K636 I637 F638	Y169-M634 HydrophobicContact CD2-CE 3.99Å; Y169-M634 HydrophobicContact CD2-SD 3.93Å; Y169-M634 HydrophobicContact CE2-CE 4.01Å; Y169-M634 HydrophobicContact CE2-SD 3.81Å; V581-M634 HydrophobicContact CG1-CE 3.95Å; L585-M634 HydrophobicContact CD1-CE 3.72Å; M598-M634 HydrophobicContact CE-CB 3.78Å; M598-M634 HydrophobicContact SD-CB 3.85Å; M598-M634 HydrophobicContact SD-CG 4.35Å; Y630-M634 HydrophobicContact CD2-CG 4.35Å; Y630-M634 HydrophobicContact CE1-CG 4.08Å; Y630-M634 HydrophobicContact CE2-CG 3.82Å; Y630-M634 HydrophobicContact CE2-SD 4Å; Y630-M634 PolarHBondContact O-N 2.92Å; L631-M634 PolarHBondContact O-N 3.28Å; T632-M634 PolarHBondContact O-N 2.92Å; M634-K636 VanDerWaalsContact C-N 3.29Å; M634-K636 PolarHBondContact O-N 2.67Å; M634-I637 WeakPolarHBondContact O-CB 3.31Å; M634-I637 PolarHBondContact O-N 3.42Å; M634-I637 HydrophobicContact SD-CD1 4.31Å; M634-F638 HydrophobicContact CE-CE1 3.97Å; M634-F638 HydrophobicContact CE-CE2 4.17Å; M634-F638 HydrophobicContact CE-CZ 3.56Å; M634-F638 WeakPolarHBondContact O-CD2 3.47Å; M634-F638 VanDerWaalsContact O-CG 3.31Å; M634-F638 WeakPolarHBondContact O-CG 3.4Å; M634-F638 PolarHBondContact O-N 3.48Å
635	L	97.4	Very high	92	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.4	-31.5	176.8	-70.5	173.1	0	0	0	112.6	L511 M539 F543 M595 M598 L631 T632 F638 G639 A640 I641 F649	L511-L635 HydrophobicContact CD2-CD2 4.29Å; M539-L635 HydrophobicContact CE-CD1 4.13Å; F543-L635 HydrophobicContact CE2-CD1 3.87Å; F543-L635 HydrophobicContact CZ-CD1 3.92Å; M595-L635 HydrophobicContact SD-CD2 4.49Å; M598-L635 HydrophobicContact CE-CD2 4.05Å; M598-L635 HydrophobicContact CE-CG 3.91Å; L631-L635 WeakPolarHBondContact O-CG 3.35Å; L631-L635 PolarHBondContact O-N 2.91Å; T632-L635 PolarHBondContact O-N 3.49Å; L635-F638 PolarHBondContact O-N 2.87Å; L635-G639 PolarHBondContact O-N 3.31Å; L635-A640 HydrophobicContact CB-CB 4.31Å; L635-A640 HydrophobicContact CD2-CB 4.1Å; L635-A640 PolarHBondContact O-N 3.2Å; L635-I641 HydrophobicContact CB-CD1 3.53Å; L635-I641 HydrophobicContact CB-CG1 3.89Å; L635-I641 HydrophobicContact CD1-CD1 4.03Å; L635-I641 HydrophobicContact CG-CD1 4.45Å; L635-I641 PolarHBondContact O-N 3.31Å; L635-F649 HydrophobicContact CD1-CE1 4.08Å; L635-F649 HydrophobicContact CD1-CZ 3.91Å
636	K	95.9	Very high	91.2	Very high	63 Å²	63	31.9 Å²	31.9	27%	0.274	20%	0.195	S	C	.	.	H	α-helix	trans	-65.6	-46.1	170.3	-75.2	-179.1	-178.6	-169.7	0	111.8	T632 A633 M634 F638 G639 I641 G643 D645	T632-K636 HydrophobicContact CG2-CD 4.38Å; T632-K636 WeakPolarHBondContact O-CG 3.35Å; T632-K636 PolarHBondContact O-N 3.2Å; A633-K636 WeakPolarHBondContact O-CB 3.43Å; A633-K636 PolarHBondContact O-N 3.1Å; M634-K636 VanDerWaalsContact C-N 3.29Å; M634-K636 PolarHBondContact O-N 2.67Å; K636-F638 VanDerWaalsContact C-N 3.28Å; K636-F638 PolarHBondContact O-N 2.96Å; K636-G639 PolarHBondContact O-N 3.32Å; K636-I641 HydrophobicContact CD-CG2 4.36Å; K636-I641 HydrophobicContact CG-CB 3.68Å; K636-I641 HydrophobicContact CG-CG2 3.68Å; K636-G643 WeakPolarHBondContact CE-O 3.31Å; K636-G643 PolarHBondContact NZ-O 3.13Å; K636-D645 PolarHBondContact NZ-O 3.2Å
637	I	97	Very high	90.8	Very high	25 Å²	25	29.2 Å²	29.2	13%	0.128	18%	0.176	C	C	.	.	H	α-helix	trans	-58.1	-43.5	174.4	-70.2	168.5	0	0	0	110	R164 I165 D168 Y169 A633 M634 G639	R164-I637 WeakPolarHBondContact CB-O 3.45Å; R164-I637 VanDerWaalsContact CD-O 3.24Å; R164-I637 WeakPolarHBondContact CD-O 3.05Å; I165-I637 HydrophobicContact CG1-CG2 4.27Å; D168-I637 HydrophobicContact CB-CG1 3.93Å; D168-I637 HydrophobicContact CB-CG2 4.36Å; Y169-I637 HydrophobicContact CD2-CD1 4.06Å; A633-I637 VanDerWaalsContact O-CG1 3.32Å; A633-I637 WeakPolarHBondContact O-CG1 3.16Å; A633-I637 PolarHBondContact O-N 3.44Å; M634-I637 WeakPolarHBondContact O-CB 3.31Å; M634-I637 PolarHBondContact O-N 3.42Å; M634-I637 HydrophobicContact SD-CD1 4.31Å; I637-G639 PolarHBondContact O-N 3.08Å; I637-G639 VanDerWaalsContact O-N 3.17Å
638	F	97.6	Very high	90.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-3.8	177.5	-61.7	-26.8	0	0	0	114.2	I161 I165 R510 L514 L585 T591 A594 M595 M598 M634 L635 K636 A640	I161-F638 HydrophobicContact CG2-CD1 4.49Å; I165-F638 HydrophobicContact CD1-CD1 4.09Å; I165-F638 HydrophobicContact CD1-CE1 3.81Å; I165-F638 HydrophobicContact CG1-CD1 4Å; I165-F638 HydrophobicContact CG1-CE1 3.85Å; R510-F638 VanDerWaalsContact CD-O 3.22Å; R510-F638 WeakPolarHBondContact CD-O 3.36Å; R510-F638 PolarHBondContact NE-O 3.26Å; L514-F638 HydrophobicContact CD1-CB 3.72Å; L514-F638 HydrophobicContact CD1-CD2 4.29Å; L514-F638 HydrophobicContact CD1-CG 4.29Å; L514-F638 HydrophobicContact CD2-CB 3.78Å; L514-F638 HydrophobicContact CD2-CD1 4.14Å; L514-F638 HydrophobicContact CD2-CD2 4.04Å; L514-F638 HydrophobicContact CD2-CG 3.74Å; L514-F638 HydrophobicContact CG-CB 4.41Å; L585-F638 HydrophobicContact CD2-CE1 4.19Å; L585-F638 HydrophobicContact CD2-CZ 4.27Å; T591-F638 HydrophobicContact CG2-CE1 4.35Å; A594-F638 HydrophobicContact CB-CZ 4.31Å; M595-F638 HydrophobicContact SD-CD2 3.99Å; M595-F638 HydrophobicContact SD-CE2 3.96Å; M598-F638 HydrophobicContact SD-CE2 3.95Å; M634-F638 HydrophobicContact CE-CE1 3.97Å; M634-F638 HydrophobicContact CE-CE2 4.17Å; M634-F638 HydrophobicContact CE-CZ 3.56Å; M634-F638 WeakPolarHBondContact O-CD2 3.47Å; M634-F638 VanDerWaalsContact O-CG 3.31Å; M634-F638 WeakPolarHBondContact O-CG 3.4Å; M634-F638 PolarHBondContact O-N 3.48Å; L635-F638 PolarHBondContact O-N 2.87Å; K636-F638 VanDerWaalsContact C-N 3.28Å; K636-F638 PolarHBondContact O-N 2.96Å; F638-A640 VanDerWaalsContact C-N 3.28Å; F638-A640 PolarHBondContact O-N 2.82Å
639	G	95.8	Very high	89.8	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.01	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	11.6	-177.9	0	0	0	0	0	114.2	N316 R510 L635 K636 I637 I641	N316-G639 PolarHBondContact ND2-O 2.91Å; R510-G639 WeakPolarHBondContact CD-O 3.48Å; R510-G639 VanDerWaalsContact CZ-O 3.27Å; R510-G639 PolarHBondContact NE-O 2.99Å; R510-G639 PolarHBondContact NH1-O 2.87Å; L635-G639 PolarHBondContact O-N 3.31Å; K636-G639 PolarHBondContact O-N 3.32Å; I637-G639 PolarHBondContact O-N 3.08Å; I637-G639 VanDerWaalsContact O-N 3.17Å; G639-I641 VanDerWaalsContact C-N 3.29Å
640	A	94.9	Very high	88.8	Confident	4 Å²	4	29.4 Å²	29.4	3%	0.033	18%	0.175	C	C	.	.	S	Bend	trans	-79.9	-12.9	176.9	0	0	0	0	0	112.7	R507 L511 L635 F638	R507-A640 WeakPolarHBondContact CD-O 3.38Å; R507-A640 HydrophobicContact CG-CB 4.42Å; R507-A640 WeakPolarHBondContact CG-O 3.37Å; L511-A640 HydrophobicContact CD2-CB 4.19Å; L635-A640 HydrophobicContact CB-CB 4.31Å; L635-A640 HydrophobicContact CD2-CB 4.1Å; L635-A640 PolarHBondContact O-N 3.2Å; F638-A640 VanDerWaalsContact C-N 3.28Å; F638-A640 PolarHBondContact O-N 2.82Å
641	I	92.1	Very high	87.4	Confident	7 Å²	7	29.7 Å²	29.7	4%	0.036	18%	0.18	C	C	.	.			trans	-129.4	127.2	175.5	-62.9	173.5	0	0	0	109	T632 L635 K636 G639 F649	T632-I641 HydrophobicContact CG2-CD1 3.94Å; L635-I641 HydrophobicContact CB-CD1 3.53Å; L635-I641 HydrophobicContact CB-CG1 3.89Å; L635-I641 HydrophobicContact CD1-CD1 4.03Å; L635-I641 HydrophobicContact CG-CD1 4.45Å; L635-I641 PolarHBondContact O-N 3.31Å; K636-I641 HydrophobicContact CD-CG2 4.36Å; K636-I641 HydrophobicContact CG-CB 3.68Å; K636-I641 HydrophobicContact CG-CG2 3.68Å; G639-I641 VanDerWaalsContact C-N 3.29Å; I641-F649 HydrophobicContact CD1-CD1 4.09Å; I641-F649 HydrophobicContact CD1-CE1 4.15Å; I641-F649 HydrophobicContact CG1-CD1 3.61Å; I641-F649 HydrophobicContact CG1-CE1 3.74Å
642	E	80.6	Confident	85.4	Confident	133 Å²	133	31.3 Å²	31.3	62%	0.621	20%	0.197	S	C	*	.			trans	-100.6	-28.2	-179.9	-72.6	165.3	-136.5	0	0	113.3	N316	N316-E642 HydrophobicContact CB-CG 4.23Å; N316-E642 WeakPolarHBondContact CB-OE1 3.48Å; N316-E642 VanDerWaalsContact CG-CG 3.44Å; N316-E642 WeakPolarHBondContact ND2-CG 3.44Å; N316-E642 PolarHBondContact ND2-OE1 2.94Å
643	G	71.9	Confident	83.1	Confident	23 Å²	23	35.7 Å²	35.7	24%	0.237	24%	0.242	C	C	.	.	S	Bend	trans	-76.8	164.3	-170.8	0	0	0	0	0	115.8	K636 D645	K636-G643 WeakPolarHBondContact CE-O 3.31Å; K636-G643 PolarHBondContact NZ-O 3.13Å; G643-D645 PolarHBondContact O-N 3.44Å
644	S	70.3	Confident	80.6	Confident	102 Å²	102	41.4 Å²	41.4	71%	0.713	26%	0.261	S	S	*	.			trans	-76.8	-2.3	171.9	53.2	0	0	0	0	113.5
645	D	71.1	Confident	78	Confident	31 Å²	31	46 Å²	46	17%	0.166	30%	0.3	C	S	.	.			trans	-50.8	135.4	-177.2	-70	-69.5	0	0	0	112	K636 G643 I647 P650	K636-D645 PolarHBondContact NZ-O 3.2Å; G643-D645 PolarHBondContact O-N 3.44Å; D645-I647 VanDerWaalsContact C-N 3.27Å; D645-I647 PolarHBondContact O-N 3.03Å; D645-P650 WeakPolarHBondContact OD2-CA 3.29Å; D645-P650 VanDerWaalsContact OD2-CB 3.24Å; D645-P650 WeakPolarHBondContact OD2-CB 3.45Å
646	P	77.7	Confident	75.9	Confident	96 Å²	96	50.9 Å²	50.9	62%	0.623	33%	0.329	S	S	*	.	S	Bend	trans	-69.8	-28.6	-177.5	26.7	-33.4	0	0	0	111.9
647	I	87.2	Confident	74.4	Confident	8 Å²	8	51.5 Å²	51.5	4%	0.041	34%	0.336	C	S	.	.	S	Bend	trans	-142.4	126.7	-175.5	-60.6	177.3	0	0	0	110.8	F543 K547 L550 Q625 A628 D645	F543-I647 HydrophobicContact CB-CG2 4.24Å; F543-I647 HydrophobicContact CD1-CG2 3.81Å; F543-I647 HydrophobicContact CG-CG2 4.37Å; K547-I647 WeakPolarHBondContact CE-O 3.38Å; K547-I647 HydrophobicContact CG-CG2 4.31Å; K547-I647 PolarHBondContact NZ-O 2.82Å; L550-I647 HydrophobicContact CD1-CD1 3.44Å; L550-I647 VanDerWaalsContact CD1-CD1 3.44Å; Q625-I647 HydrophobicContact CG-CD1 4.23Å; A628-I647 HydrophobicContact CB-CD1 4.43Å; A628-I647 HydrophobicContact CB-CG2 3.82Å; D645-I647 VanDerWaalsContact C-N 3.27Å; D645-I647 PolarHBondContact O-N 3.03Å
648	G	87.3	Confident	73.2	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	35%	0.35	C	S	.	.	S	Bend	trans	75.2	-165	167.4	0	0	0	0	0	115.1	T632	T632-G648 PolarHBondContact OG1-N 3.32Å
649	F	85.8	Confident	72.1	Confident	6 Å²	6	55.8 Å²	55.8	3%	0.026	36%	0.357	C	S	.	.	S	Bend	trans	-76.7	140.6	-179	-62.7	-59.4	0	0	0	111.2	R507 E536 M539 N540 F543 L635 I641	R507-F649 VanDerWaalsContact CD-CE1 3.46Å; R507-F649 VanDerWaalsContact NH1-CD1 3.34Å; E536-F649 HydrophobicContact CG-CE2 3.97Å; E536-F649 HydrophobicContact CG-CZ 4.26Å; M539-F649 HydrophobicContact CB-CE2 4.07Å; M539-F649 HydrophobicContact CB-CZ 4.44Å; N540-F649 HydrophobicContact CB-CD2 3.79Å; N540-F649 HydrophobicContact CB-CE2 4.13Å; F543-F649 HydrophobicContact CD2-CD2 4.36Å; F543-F649 HydrophobicContact CD2-CE2 4.44Å; F543-F649 HydrophobicContact CE2-CE2 4.29Å; L635-F649 HydrophobicContact CD1-CE1 4.08Å; L635-F649 HydrophobicContact CD1-CZ 3.91Å; I641-F649 HydrophobicContact CD1-CD1 4.09Å; I641-F649 HydrophobicContact CD1-CE1 4.15Å; I641-F649 HydrophobicContact CG1-CD1 3.61Å; I641-F649 HydrophobicContact CG1-CE1 3.74Å
650	P	76.2	Confident	71.1	Confident	42 Å²	42	59 Å²	59	27%	0.273	38%	0.38	S	S	.	.			trans	-61.8	144.5	176.5	24.1	-33.2	0	0	0	111.2	D645	D645-P650 WeakPolarHBondContact OD2-CA 3.29Å; D645-P650 VanDerWaalsContact OD2-CB 3.24Å; D645-P650 WeakPolarHBondContact OD2-CB 3.45Å
651	V	67.3	Low	70.3	Confident	32 Å²	32	62.7 Å²	62.7	19%	0.194	40%	0.402	C	S	.	.	S	Bend	trans	-106.3	108.2	174.5	-174.3	0	0	0	0	108.6	L719	V651-L719 HydrophobicContact CG1-CB 4.34Å; V651-L719 HydrophobicContact CG2-CB 4.49Å
652	G	55.8	Low	69.9	Low	34 Å²	34	64.5 Å²	64.5	35%	0.351	41%	0.413	S	S	.	.	S	Bend	trans	80.1	135.3	-173.7	0	0	0	0	0	112.5	Q654	G652-Q654 PolarHBondContact O-N 2.66Å
653	G	49.5	Very low	70	Confident	93 Å²	93	59.5 Å²	59.5	96%	0.959	39%	0.39	S	S	*	.	S	Bend	trans	-73.2	28.7	-171.9	0	0	0	0	0	116.7
654	Q	42.7	Very low	70.6	Confident	165 Å²	165	62 Å²	62	77%	0.771	40%	0.402	S	S	*	.	S	Bend	trans	-124.4	145.3	179.1	-73.4	-167.8	-9.7	0	0	112.6	G652 V656	G652-Q654 PolarHBondContact O-N 2.66Å; Q654-V656 PolarHBondContact O-N 3.24Å
655	A	43.9	Very low	71.3	Confident	101 Å²	101	65.5 Å²	65.5	84%	0.835	40%	0.401	S	S	*	.	S	Bend	trans	-69.8	7.9	-174.9	0	0	0	0	0	115.8
656	V	53.1	Low	72.1	Confident	102 Å²	102	64.9 Å²	64.9	62%	0.618	40%	0.398	S	S	*	.	S	Bend	trans	-95.3	132.3	176.5	-175.9	0	0	0	0	107.9	Q654 L658	Q654-V656 PolarHBondContact O-N 3.24Å; V656-L658 PolarHBondContact O-N 3.04Å
657	D	64.6	Low	72.3	Confident	77 Å²	77	62.2 Å²	62.2	41%	0.412	38%	0.384	S	S	.	.			trans	-66.2	77.9	175.1	-175.6	-4.8	0	0	0	110.2	E659 S660 T661	D657-E659 PolarHBondContact O-N 3.37Å; D657-E659 WeakPolarHBondContact OD1-CB 3.44Å; D657-E659 PolarHBondContact OD1-N 3.36Å; D657-S660 VanDerWaalsContact CG-CB 3.48Å; D657-S660 VanDerWaalsContact CG-OG 3.32Å; D657-S660 PolarHBondContact O-N 3.27Å; D657-S660 PolarHBondContact O-OG 2.92Å; D657-S660 PolarHBondContact OD1-N 2.98Å; D657-S660 VanDerWaalsContact OD2-CB 3.31Å; D657-S660 WeakPolarHBondContact OD2-CB 3.33Å; D657-S660 PolarHBondContact OD2-OG 3.24Å; D657-T661 PolarHBondContact O-N 2.95Å; D657-T661 PolarHBondContact O-OG1 2.97Å
658	L	72.6	Confident	72.2	Confident	84 Å²	84	66.9 Å²	66.9	44%	0.44	41%	0.412	S	S	.	.	H	α-helix	trans	-56	-35.1	178.1	-177.7	68.9	0	0	0	110.5	V656 T661 V662	V656-L658 PolarHBondContact O-N 3.04Å; L658-T661 PolarHBondContact O-N 2.84Å; L658-V662 HydrophobicContact CD1-CG2 3.82Å; L658-V662 HydrophobicContact CG-CG2 4.18Å; L658-V662 WeakPolarHBondContact O-CB 3.43Å; L658-V662 WeakPolarHBondContact O-CG2 3.44Å; L658-V662 PolarHBondContact O-N 3.22Å
659	E	74.6	Confident	72.2	Confident	31 Å²	31	70.3 Å²	70.3	15%	0.145	43%	0.43	C	S	.	.	H	α-helix	trans	-60.7	-52.1	177.4	175.8	165.1	-162	0	0	110.8	K547 R551 D657 T661 V662 M663 L719	K547-E659 WeakPolarHBondContact CE-OE2 3.31Å; K547-E659 IonicContact NZ-OE2 2.65Å; K547-E659 PolarHBondContact NZ-OE2 3.2Å; R551-E659 IonicContact NH1-OE1 2.68Å; D657-E659 PolarHBondContact O-N 3.37Å; D657-E659 WeakPolarHBondContact OD1-CB 3.44Å; D657-E659 PolarHBondContact OD1-N 3.36Å; E659-T661 PolarHBondContact O-N 3.27Å; E659-T661 VanDerWaalsContact O-N 3.15Å; E659-V662 PolarHBondContact O-N 2.54Å; E659-M663 HydrophobicContact CG-CG 3.79Å; E659-M663 WeakPolarHBondContact O-CB 3.37Å; E659-M663 WeakPolarHBondContact O-CG 3.29Å; E659-M663 PolarHBondContact O-N 2.82Å; E659-L719 HydrophobicContact CB-CD1 3.73Å; E659-L719 HydrophobicContact CG-CD1 3.82Å
660	S	73.6	Confident	72.3	Confident	69 Å²	69	70.2 Å²	70.2	48%	0.483	43%	0.43	S	S	.	.	H	α-helix	trans	-58	-32.1	177.7	70.6	0	0	0	0	114.1	D657	D657-S660 VanDerWaalsContact CG-CB 3.48Å; D657-S660 VanDerWaalsContact CG-OG 3.32Å; D657-S660 PolarHBondContact O-N 3.27Å; D657-S660 PolarHBondContact O-OG 2.92Å; D657-S660 PolarHBondContact OD1-N 2.98Å; D657-S660 VanDerWaalsContact OD2-CB 3.31Å; D657-S660 WeakPolarHBondContact OD2-CB 3.33Å; D657-S660 PolarHBondContact OD2-OG 3.24Å
661	T	79.5	Confident	72.7	Confident	81 Å²	81	73 Å²	73	50%	0.497	44%	0.443	S	S	.	.	H	α-helix	trans	-80.1	-41.9	-175.9	-56.5	0	0	0	0	112.1	D657 L658 E659 Y665	D657-T661 PolarHBondContact O-N 2.95Å; D657-T661 PolarHBondContact O-OG1 2.97Å; L658-T661 PolarHBondContact O-N 2.84Å; E659-T661 PolarHBondContact O-N 3.27Å; E659-T661 VanDerWaalsContact O-N 3.15Å; T661-Y665 WeakPolarHBondContact O-CD2 3.31Å; T661-Y665 WeakPolarHBondContact O-CE2 3.5Å
662	V	83.2	Confident	73.7	Confident	45 Å²	45	78 Å²	78	27%	0.273	46%	0.462	S	S	.	.	H	α-helix	trans	-90.5	-27.8	-171.2	179.6	0	0	0	0	112.2	L658 E659 P664 Y665 L666	L658-V662 HydrophobicContact CD1-CG2 3.82Å; L658-V662 HydrophobicContact CG-CG2 4.18Å; L658-V662 WeakPolarHBondContact O-CB 3.43Å; L658-V662 WeakPolarHBondContact O-CG2 3.44Å; L658-V662 PolarHBondContact O-N 3.22Å; E659-V662 PolarHBondContact O-N 2.54Å; V662-P664 VanDerWaalsContact C-CD 3.48Å; V662-Y665 PolarHBondContact O-N 2.78Å; V662-Y665 VanDerWaalsContact O-N 3.15Å; V662-L666 HydrophobicContact CG1-CD1 3.79Å; V662-L666 HydrophobicContact CG1-CD2 4.44Å; V662-L666 HydrophobicContact CG1-CG 3.87Å; V662-L666 PolarHBondContact O-N 2.91Å
663	M	83.1	Confident	75.3	Confident	27 Å²	27	77 Å²	77	13%	0.133	45%	0.448	C	S	.	.	H	α-helix	trans	-56.3	-39.9	-174.5	-81	-56.9	-49.9	0	0	115.9	R551 E659 Y665 L666 A667 V717 L719	R551-M663 PolarHBondContact NH1-SD 3.16Å; E659-M663 HydrophobicContact CG-CG 3.79Å; E659-M663 WeakPolarHBondContact O-CB 3.37Å; E659-M663 WeakPolarHBondContact O-CG 3.29Å; E659-M663 PolarHBondContact O-N 2.82Å; M663-Y665 VanDerWaalsContact C-N 3.29Å; M663-Y665 PolarHBondContact O-N 3.25Å; M663-L666 PolarHBondContact O-N 2.97Å; M663-L666 HydrophobicContact SD-CD1 4.36Å; M663-A667 PolarHBondContact O-N 3.46Å; M663-V717 HydrophobicContact CE-CB 4.31Å; M663-V717 HydrophobicContact CE-CG1 4.2Å; M663-V717 HydrophobicContact SD-CG1 4.38Å; M663-L719 HydrophobicContact CG-CD1 4.15Å; M663-L719 HydrophobicContact SD-CD1 3.96Å; M663-L719 HydrophobicContact SD-CG 4.1Å
664	P	83.5	Confident	77	Confident	77 Å²	77	74.8 Å²	74.8	50%	0.5	41%	0.413	S	S	.	.	H	α-helix	trans	-59.5	-39.2	177.6	-24.9	35	0	0	0	113.1	V662 V668	V662-P664 VanDerWaalsContact C-CD 3.48Å; P664-V668 WeakPolarHBondContact O-CG2 3.11Å; P664-V668 PolarHBondContact O-N 3.32Å
665	Y	85.4	Confident	79	Confident	175 Å²	175	71.9 Å²	71.9	69%	0.686	40%	0.403	S	S	*	.	H	α-helix	trans	-68.8	-40.3	178.7	-59.4	-82.2	0	0	0	111.8	T661 V662 M663 V668 L669	T661-Y665 WeakPolarHBondContact O-CD2 3.31Å; T661-Y665 WeakPolarHBondContact O-CE2 3.5Å; V662-Y665 PolarHBondContact O-N 2.78Å; V662-Y665 VanDerWaalsContact O-N 3.15Å; M663-Y665 VanDerWaalsContact C-N 3.29Å; M663-Y665 PolarHBondContact O-N 3.25Å; Y665-V668 PolarHBondContact O-N 3.1Å; Y665-L669 PolarHBondContact O-N 3.42Å
666	L	86.5	Confident	81.1	Confident	18 Å²	18	68.5 Å²	68.5	9%	0.094	37%	0.371	C	S	.	.	H	α-helix	trans	-69.6	-34.2	178.6	-62.7	179	0	0	0	112.5	V662 M663 L669 S670 V705 V717 L719	V662-L666 HydrophobicContact CG1-CD1 3.79Å; V662-L666 HydrophobicContact CG1-CD2 4.44Å; V662-L666 HydrophobicContact CG1-CG 3.87Å; V662-L666 PolarHBondContact O-N 2.91Å; M663-L666 PolarHBondContact O-N 2.97Å; M663-L666 HydrophobicContact SD-CD1 4.36Å; L666-L669 PolarHBondContact O-N 3.04Å; L666-S670 VanDerWaalsContact O-CB 3.23Å; L666-S670 WeakPolarHBondContact O-CB 3.3Å; L666-S670 PolarHBondContact O-N 2.99Å; L666-V705 HydrophobicContact CD1-CG1 3.99Å; L666-V705 HydrophobicContact CD1-CG2 3.69Å; L666-V705 HydrophobicContact CD2-CG1 4.13Å; L666-V705 HydrophobicContact CD2-CG2 3.85Å; L666-V705 HydrophobicContact CG-CG2 4.44Å; L666-V717 HydrophobicContact CB-CG1 3.83Å; L666-V717 HydrophobicContact CD1-CG1 4.03Å; L666-L719 HydrophobicContact CD1-CD2 3.55Å; L666-L719 HydrophobicContact CD1-CG 4.35Å
667	A	83.3	Confident	82.8	Confident	40 Å²	40	65 Å²	65	33%	0.331	35%	0.347	S	S	.	.	H	α-helix	trans	-61	-50.4	173.8	0	0	0	0	0	110.9	M663 L669 S670 D671	M663-A667 PolarHBondContact O-N 3.46Å; A667-L669 VanDerWaalsContact C-N 3.32Å; A667-L669 PolarHBondContact O-N 2.87Å; A667-S670 WeakPolarHBondContact O-CB 3.49Å; A667-S670 PolarHBondContact O-N 2.9Å; A667-S670 VanDerWaalsContact O-N 3.16Å; A667-D671 VanDerWaalsContact O-CG 3.31Å; A667-D671 PolarHBondContact O-N 3.02Å
668	V	85.3	Confident	83.8	Confident	105 Å²	105	67.1 Å²	67.1	64%	0.636	35%	0.352	S	S	*	.	H	α-helix	trans	-59.5	-42.7	177.6	174.3	0	0	0	0	111.8	P664 Y665 F672	P664-V668 WeakPolarHBondContact O-CG2 3.11Å; P664-V668 PolarHBondContact O-N 3.32Å; Y665-V668 PolarHBondContact O-N 3.1Å; V668-F672 WeakPolarHBondContact O-CB 3.47Å; V668-F672 PolarHBondContact O-N 2.92Å
669	L	87.6	Confident	84.5	Confident	72 Å²	72	67.1 Å²	67.1	38%	0.377	35%	0.352	S	S	.	.	H	α-helix	trans	-64.4	-41.4	177.3	-179.1	65.1	0	0	0	112.1	Y665 L666 A667 R673 L700	Y665-L669 PolarHBondContact O-N 3.42Å; L666-L669 PolarHBondContact O-N 3.04Å; A667-L669 VanDerWaalsContact C-N 3.32Å; A667-L669 PolarHBondContact O-N 2.87Å; L669-R673 WeakPolarHBondContact O-CB 3.35Å; L669-R673 PolarHBondContact O-N 2.84Å; L669-L700 HydrophobicContact CD2-CD1 4.47Å; L669-L700 HydrophobicContact CD2-CD2 3.91Å
670	S	86.4	Confident	85.1	Confident	4 Å²	4	65.7 Å²	65.7	3%	0.028	35%	0.345	C	S	.	.	H	α-helix	trans	-64	-45.3	178.4	-179.1	0	0	0	0	111.5	L666 A667 R673 E674 T715	L666-S670 VanDerWaalsContact O-CB 3.23Å; L666-S670 WeakPolarHBondContact O-CB 3.3Å; L666-S670 PolarHBondContact O-N 2.99Å; A667-S670 WeakPolarHBondContact O-CB 3.49Å; A667-S670 PolarHBondContact O-N 2.9Å; A667-S670 VanDerWaalsContact O-N 3.16Å; S670-R673 PolarHBondContact O-N 3.22Å; S670-E674 PolarHBondContact O-N 3.18Å; S670-T715 WeakPolarHBondContact OG-CB 3.38Å
671	D	84.8	Confident	85.7	Confident	101 Å²	101	68 Å²	68	54%	0.54	34%	0.343	S	S	.	.	H	α-helix	trans	-63.3	-47.8	178.1	-68.1	-17.8	0	0	0	110.9	A667 R673 E674 D675	A667-D671 VanDerWaalsContact O-CG 3.31Å; A667-D671 PolarHBondContact O-N 3.02Å; D671-R673 VanDerWaalsContact C-N 3.32Å; D671-R673 PolarHBondContact O-N 3.04Å; D671-E674 PolarHBondContact O-N 3.41Å; D671-E674 VanDerWaalsContact O-N 3.16Å; D671-D675 PolarHBondContact O-N 3.03Å
672	F	88.3	Confident	86.1	Confident	136 Å²	136	70.4 Å²	70.4	60%	0.596	35%	0.349	S	S	*	.	H	α-helix	trans	-57	-44.5	175	174.9	-102.5	0	0	0	112	V668 E674 D675 V676	V668-F672 WeakPolarHBondContact O-CB 3.47Å; V668-F672 PolarHBondContact O-N 2.92Å; F672-E674 VanDerWaalsContact C-N 3.35Å; F672-E674 PolarHBondContact O-N 2.94Å; F672-D675 PolarHBondContact O-N 2.9Å; F672-V676 HydrophobicContact CD1-CG2 4.38Å; F672-V676 HydrophobicContact CD2-CG2 4.48Å; F672-V676 HydrophobicContact CE1-CG2 3.98Å; F672-V676 HydrophobicContact CE2-CG2 4.09Å; F672-V676 HydrophobicContact CZ-CG2 3.82Å; F672-V676 VanDerWaalsContact O-CG2 3.25Å; F672-V676 WeakPolarHBondContact O-CG2 3.33Å; F672-V676 PolarHBondContact O-N 2.91Å; F672-V676 VanDerWaalsContact O-N 3.08Å
673	R	90.1	Very high	86.4	Confident	13 Å²	13	74.7 Å²	74.7	5%	0.049	37%	0.366	C	S	.	.	H	α-helix	trans	-62.3	-41.2	177.7	177.6	-179.5	165.9	-83.3	2.1	111.7	L669 S670 D671 V676 R677 C692 D709	L669-R673 WeakPolarHBondContact O-CB 3.35Å; L669-R673 PolarHBondContact O-N 2.84Å; S670-R673 PolarHBondContact O-N 3.22Å; D671-R673 VanDerWaalsContact C-N 3.32Å; D671-R673 PolarHBondContact O-N 3.04Å; R673-V676 PolarHBondContact O-N 3.21Å; R673-R677 WeakPolarHBondContact O-CB 3.46Å; R673-R677 PolarHBondContact O-N 3.01Å; R673-C692 HydrophobicContact CG-CB 4.36Å; R673-C692 PolarHBondContact NE-O 2.66Å; R673-D709 IonicContact CZ-OD1 2.67Å; R673-D709 IonicContact CZ-OD2 2.63Å; R673-D709 IonicContact NH1-OD1 3.67Å; R673-D709 PolarHBondContact NH1-OD1 3.11Å; R673-D709 IonicContact NH1-OD2 3.48Å; R673-D709 IonicContact NH2-OD1 3.42Å; R673-D709 PolarHBondContact NH2-OD1 3.1Å; R673-D709 IonicContact NH2-OD2 2.75Å; R673-D709 PolarHBondContact NH2-OD2 3.38Å
674	E	85.6	Confident	86.5	Confident	48 Å²	48	81.8 Å²	81.8	22%	0.224	40%	0.397	C	S	.	.	H	α-helix	trans	-68.4	-39.1	-179	-169.6	57.3	-153.6	0	0	111.7	S670 D671 F672 V676 R677 K678 T715	S670-E674 PolarHBondContact O-N 3.18Å; D671-E674 PolarHBondContact O-N 3.41Å; D671-E674 VanDerWaalsContact O-N 3.16Å; F672-E674 VanDerWaalsContact C-N 3.35Å; F672-E674 PolarHBondContact O-N 2.94Å; E674-V676 PolarHBondContact O-N 3.29Å; E674-R677 PolarHBondContact O-N 3.3Å; E674-R677 IonicContact OE1-NH1 3.47Å; E674-R677 WeakPolarHBondContact OE2-CD 3.21Å; E674-R677 IonicContact OE2-NH1 3.63Å; E674-R677 PolarHBondContact OE2-NH1 2.97Å; E674-K678 WeakPolarHBondContact O-CB 3.05Å; E674-K678 PolarHBondContact O-N 2.84Å; E674-T715 PolarHBondContact OE2-OG1 2.91Å
675	D	85.2	Confident	86.8	Confident	104 Å²	104	80.9 Å²	80.9	56%	0.556	39%	0.389	S	S	*	.	H	α-helix	trans	-60.2	-46.4	173	-75.9	-22.7	0	0	0	111.7	D671 F672 R677 K678 I679	D671-D675 PolarHBondContact O-N 3.03Å; F672-D675 PolarHBondContact O-N 2.9Å; D675-R677 VanDerWaalsContact C-N 3.32Å; D675-R677 PolarHBondContact O-N 3.39Å; D675-K678 PolarHBondContact O-N 3.14Å; D675-I679 WeakPolarHBondContact O-CG1 3.44Å; D675-I679 PolarHBondContact O-N 3.49Å; D675-I679 VanDerWaalsContact O-N 3.11Å
676	V	87.2	Confident	86.9	Confident	29 Å²	29	76.9 Å²	76.9	18%	0.176	38%	0.383	C	S	.	.	H	α-helix	trans	-59.6	-43.4	175.5	172.2	0	0	0	0	110.9	F672 R673 E674 I679 A680 L688	F672-V676 HydrophobicContact CD1-CG2 4.38Å; F672-V676 HydrophobicContact CD2-CG2 4.48Å; F672-V676 HydrophobicContact CE1-CG2 3.98Å; F672-V676 HydrophobicContact CE2-CG2 4.09Å; F672-V676 HydrophobicContact CZ-CG2 3.82Å; F672-V676 VanDerWaalsContact O-CG2 3.25Å; F672-V676 WeakPolarHBondContact O-CG2 3.33Å; F672-V676 PolarHBondContact O-N 2.91Å; F672-V676 VanDerWaalsContact O-N 3.08Å; R673-V676 PolarHBondContact O-N 3.21Å; E674-V676 PolarHBondContact O-N 3.29Å; V676-I679 PolarHBondContact O-N 3.39Å; V676-A680 VanDerWaalsContact O-CB 3.28Å; V676-A680 WeakPolarHBondContact O-CB 3.27Å; V676-A680 PolarHBondContact O-N 2.95Å; V676-L688 HydrophobicContact CG1-CD1 4.02Å; V676-L688 HydrophobicContact CG1-CD2 3.78Å; V676-L688 HydrophobicContact CG1-CG 3.85Å
677	R	87.9	Confident	86.8	Confident	30 Å²	30	78.9 Å²	78.9	11%	0.113	40%	0.403	C	S	.	.	H	α-helix	trans	-67.2	-39.1	-179.9	-170	-170.3	-178	-163.8	10.6	112.2	R673 E674 D675 A680 R681 L689 D709	R673-R677 WeakPolarHBondContact O-CB 3.46Å; R673-R677 PolarHBondContact O-N 3.01Å; E674-R677 PolarHBondContact O-N 3.3Å; E674-R677 IonicContact OE1-NH1 3.47Å; E674-R677 WeakPolarHBondContact OE2-CD 3.21Å; E674-R677 IonicContact OE2-NH1 3.63Å; E674-R677 PolarHBondContact OE2-NH1 2.97Å; D675-R677 VanDerWaalsContact C-N 3.32Å; D675-R677 PolarHBondContact O-N 3.39Å; R677-A680 PolarHBondContact O-N 3.49Å; R677-R681 WeakPolarHBondContact O-CB 3.42Å; R677-R681 WeakPolarHBondContact O-CG 3.23Å; R677-R681 PolarHBondContact O-N 3.01Å; R677-L689 HydrophobicContact CG-CD2 3.77Å; R677-D709 IonicContact CZ-OD1 3.59Å; R677-D709 IonicContact CZ-OD2 3.07Å; R677-D709 VanDerWaalsContact NH1-CG 3.34Å; R677-D709 IonicContact NH1-OD1 3.95Å; R677-D709 PolarHBondContact NH1-OD1 3.44Å; R677-D709 IonicContact NH1-OD2 3.31Å; R677-D709 IonicContact NH2-OD2 3.77Å; R677-D709 PolarHBondContact NH2-OD2 3.33Å
678	K	85.7	Confident	86.9	Confident	120 Å²	120	80 Å²	80	52%	0.522	40%	0.403	S	S	.	.	H	α-helix	trans	-60.4	-50.4	175.7	-175.4	-177.8	175.6	-172	0	110.6	E674 D675 A680 R681 E682	E674-K678 WeakPolarHBondContact O-CB 3.05Å; E674-K678 PolarHBondContact O-N 2.84Å; D675-K678 PolarHBondContact O-N 3.14Å; K678-A680 VanDerWaalsContact C-N 3.34Å; K678-A680 PolarHBondContact O-N 3.47Å; K678-R681 PolarHBondContact O-N 3.45Å; K678-E682 WeakPolarHBondContact CE-OE1 3.49Å; K678-E682 WeakPolarHBondContact O-CG 3.43Å; K678-E682 PolarHBondContact O-N 2.89Å
679	I	87.8	Confident	87	Confident	84 Å²	84	77.1 Å²	77.1	43%	0.431	38%	0.383	S	S	.	.	H	α-helix	trans	-60.3	-44.7	176.3	-63.9	166.8	0	0	0	110.6	D675 V676 R681 E682 Q683	D675-I679 WeakPolarHBondContact O-CG1 3.44Å; D675-I679 PolarHBondContact O-N 3.49Å; D675-I679 VanDerWaalsContact O-N 3.11Å; V676-I679 PolarHBondContact O-N 3.39Å; I679-R681 VanDerWaalsContact C-N 3.33Å; I679-R681 PolarHBondContact O-N 3.4Å; I679-E682 PolarHBondContact O-N 2.99Å; I679-Q683 HydrophobicContact CG2-CG 4.41Å; I679-Q683 WeakPolarHBondContact O-CB 3.38Å; I679-Q683 WeakPolarHBondContact O-CG 3.44Å; I679-Q683 PolarHBondContact O-N 2.63Å
680	A	87.4	Confident	86.9	Confident	1 Å²	1	82.3 Å²	82.3	1%	0.008	40%	0.398	C	S	.	.	H	α-helix	trans	-63.6	-35.6	-179.7	0	0	0	0	0	113.1	V676 R677 K678 K684 V685 L688 L689	V676-A680 VanDerWaalsContact O-CB 3.28Å; V676-A680 WeakPolarHBondContact O-CB 3.27Å; V676-A680 PolarHBondContact O-N 2.95Å; R677-A680 PolarHBondContact O-N 3.49Å; K678-A680 VanDerWaalsContact C-N 3.34Å; K678-A680 PolarHBondContact O-N 3.47Å; A680-K684 CarbonylContact O-C 3.46Å; A680-K684 WeakPolarHBondContact O-CA 3.19Å; A680-K684 PolarHBondContact O-N 3.07Å; A680-V685 PolarHBondContact O-N 3.05Å; A680-L688 HydrophobicContact CB-CB 4.23Å; A680-L688 HydrophobicContact CB-CD2 3.84Å; A680-L688 HydrophobicContact CB-CG 4.21Å; A680-L689 HydrophobicContact CB-CD2 3.75Å; A680-L689 HydrophobicContact CB-CG 3.96Å
681	R	86.8	Confident	87	Confident	117 Å²	117	87.5 Å²	87.5	44%	0.442	43%	0.425	S	S	.	.	H	α-helix	trans	-68.9	-45.8	175	-78	171.9	169	172.5	-10.8	111.8	R677 K678 I679 Q683 K684 L689	R677-R681 WeakPolarHBondContact O-CB 3.42Å; R677-R681 WeakPolarHBondContact O-CG 3.23Å; R677-R681 PolarHBondContact O-N 3.01Å; K678-R681 PolarHBondContact O-N 3.45Å; I679-R681 VanDerWaalsContact C-N 3.33Å; I679-R681 PolarHBondContact O-N 3.4Å; R681-Q683 VanDerWaalsContact C-N 3.31Å; R681-Q683 PolarHBondContact O-N 3.21Å; R681-K684 PolarHBondContact O-N 3.38Å; R681-L689 HydrophobicContact CG-CD2 4.24Å
682	E	87.5	Confident	87.1	Confident	133 Å²	133	83.3 Å²	83.3	62%	0.621	40%	0.403	S	S	*	.	H	α-helix	trans	-60.8	-42	177.2	-71.5	172.3	-172.6	0	0	111.3	K678 I679	K678-E682 WeakPolarHBondContact CE-OE1 3.49Å; K678-E682 WeakPolarHBondContact O-CG 3.43Å; K678-E682 PolarHBondContact O-N 2.89Å; I679-E682 PolarHBondContact O-N 2.99Å
683	Q	88.5	Confident	87.1	Confident	134 Å²	134	79.5 Å²	79.5	63%	0.626	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	0.2	179.7	-61.9	-173	14.3	0	0	114.3	I679 R681 V685	I679-Q683 HydrophobicContact CG2-CG 4.41Å; I679-Q683 WeakPolarHBondContact O-CB 3.38Å; I679-Q683 WeakPolarHBondContact O-CG 3.44Å; I679-Q683 PolarHBondContact O-N 2.63Å; R681-Q683 VanDerWaalsContact C-N 3.31Å; R681-Q683 PolarHBondContact O-N 3.21Å; Q683-V685 HydrophobicContact CB-CG2 3.77Å; Q683-V685 PolarHBondContact O-N 2.85Å
684	K	86.2	Confident	86.9	Confident	177 Å²	177	80.4 Å²	80.4	77%	0.77	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	33.5	-177.4	-57.9	-179.2	-179.2	177.2	0	114.6	A680 R681 T686	A680-K684 CarbonylContact O-C 3.46Å; A680-K684 WeakPolarHBondContact O-CA 3.19Å; A680-K684 PolarHBondContact O-N 3.07Å; R681-K684 PolarHBondContact O-N 3.38Å; K684-T686 PolarHBondContact O-N 3.17Å; K684-T686 VanDerWaalsContact O-N 3.11Å
685	V	90.6	Very high	87	Confident	57 Å²	57	80.8 Å²	80.8	35%	0.345	41%	0.405	S	S	.	.			trans	-82.8	88.5	-178.9	-173.5	0	0	0	0	110.4	A680 Q683 A687 L688 L689	A680-V685 PolarHBondContact O-N 3.05Å; Q683-V685 HydrophobicContact CB-CG2 3.77Å; Q683-V685 PolarHBondContact O-N 2.85Å; V685-A687 VanDerWaalsContact C-N 3.33Å; V685-A687 PolarHBondContact O-N 3.2Å; V685-L688 HydrophobicContact CB-CB 4.34Å; V685-L688 HydrophobicContact CG1-CB 3.82Å; V685-L688 PolarHBondContact O-N 3.48Å; V685-L689 PolarHBondContact O-N 3.46Å
686	T	85.9	Confident	87.2	Confident	91 Å²	91	78.1 Å²	78.1	56%	0.558	39%	0.387	S	S	*	.	H	α-helix	trans	-63.9	-32.2	-175.6	53.1	0	0	0	0	114.3	K684 L688 L689 R690	K684-T686 PolarHBondContact O-N 3.17Å; K684-T686 VanDerWaalsContact O-N 3.11Å; T686-L688 PolarHBondContact O-N 2.87Å; T686-L689 PolarHBondContact O-N 3.21Å; T686-R690 WeakPolarHBondContact O-CG 3.47Å; T686-R690 PolarHBondContact O-N 3.13Å; T686-R690 VanDerWaalsContact O-N 3.08Å
687	A	84.9	Confident	87.1	Confident	61 Å²	61	80 Å²	80	50%	0.504	40%	0.396	S	S	.	.	H	α-helix	trans	-64.4	-39.2	178.7	0	0	0	0	0	112.5	V685 R690 L691	V685-A687 VanDerWaalsContact C-N 3.33Å; V685-A687 PolarHBondContact O-N 3.2Å; A687-R690 PolarHBondContact O-N 3.28Å; A687-L691 PolarHBondContact O-N 3.14Å; A687-L691 VanDerWaalsContact O-N 3.12Å
688	L	86.3	Confident	86.9	Confident	63 Å²	63	81.6 Å²	81.6	33%	0.33	41%	0.407	S	S	.	.	H	α-helix	trans	-71.6	-37	179.4	-171.1	63.1	0	0	0	111.5	V676 A680 V685 T686 L691 C692	V676-L688 HydrophobicContact CG1-CD1 4.02Å; V676-L688 HydrophobicContact CG1-CD2 3.78Å; V676-L688 HydrophobicContact CG1-CG 3.85Å; A680-L688 HydrophobicContact CB-CB 4.23Å; A680-L688 HydrophobicContact CB-CD2 3.84Å; A680-L688 HydrophobicContact CB-CG 4.21Å; V685-L688 HydrophobicContact CB-CB 4.34Å; V685-L688 HydrophobicContact CG1-CB 3.82Å; V685-L688 PolarHBondContact O-N 3.48Å; T686-L688 PolarHBondContact O-N 2.87Å; L688-L691 PolarHBondContact O-N 2.8Å; L688-C692 PolarHBondContact O-N 3.38Å; L688-C692 PolarHBondContact O-SG 2.86Å
689	L	86.1	Confident	87	Confident	44 Å²	44	79.4 Å²	79.4	23%	0.23	40%	0.404	C	S	.	.	H	α-helix	trans	-61	-43.1	171.6	-66.6	175.5	0	0	0	111.6	R677 A680 R681 V685 T686 L691 C692 D693	R677-L689 HydrophobicContact CG-CD2 3.77Å; A680-L689 HydrophobicContact CB-CD2 3.75Å; A680-L689 HydrophobicContact CB-CG 3.96Å; R681-L689 HydrophobicContact CG-CD2 4.24Å; V685-L689 PolarHBondContact O-N 3.46Å; T686-L689 PolarHBondContact O-N 3.21Å; L689-L691 VanDerWaalsContact C-N 3.32Å; L689-L691 PolarHBondContact O-N 3.27Å; L689-C692 WeakPolarHBondContact O-CB 3.37Å; L689-C692 PolarHBondContact O-N 3.25Å; L689-D693 PolarHBondContact O-N 3.38Å
690	R	86.8	Confident	87	Confident	181 Å²	181	75.8 Å²	75.8	68%	0.683	39%	0.385	S	S	*	.	H	α-helix	trans	-61.4	-38.1	175.1	-71.5	178.3	-171.9	167.6	3	112.8	T686 A687 D693 A694	T686-R690 WeakPolarHBondContact O-CG 3.47Å; T686-R690 PolarHBondContact O-N 3.13Å; T686-R690 VanDerWaalsContact O-N 3.08Å; A687-R690 PolarHBondContact O-N 3.28Å; R690-D693 PolarHBondContact O-N 2.78Å; R690-A694 WeakPolarHBondContact O-CB 3.4Å; R690-A694 PolarHBondContact O-N 2.66Å
691	L	87.1	Confident	86.9	Confident	113 Å²	113	76.5 Å²	76.5	59%	0.592	39%	0.39	S	S	*	.	H	α-helix	trans	-65.9	-41.7	174.5	-76.8	166.4	0	0	0	111.6	A687 L688 L689 D693 A694 V695	A687-L691 PolarHBondContact O-N 3.14Å; A687-L691 VanDerWaalsContact O-N 3.12Å; L688-L691 PolarHBondContact O-N 2.8Å; L689-L691 VanDerWaalsContact C-N 3.32Å; L689-L691 PolarHBondContact O-N 3.27Å; L691-D693 VanDerWaalsContact C-N 3.29Å; L691-D693 PolarHBondContact O-N 2.64Å; L691-A694 PolarHBondContact O-N 2.78Å; L691-V695 WeakPolarHBondContact O-CG2 3.23Å; L691-V695 PolarHBondContact O-N 3.16Å
692	C	87.6	Confident	86.8	Confident	13 Å²	13	75.1 Å²	75.1	9%	0.088	39%	0.388	C	S	.	.	H	α-helix	trans	-64.1	-34.9	175.3	-64.5	0	0	0	0	112.4	R673 L688 L689 R696	R673-C692 HydrophobicContact CG-CB 4.36Å; R673-C692 PolarHBondContact NE-O 2.66Å; L688-C692 PolarHBondContact O-N 3.38Å; L688-C692 PolarHBondContact O-SG 2.86Å; L689-C692 WeakPolarHBondContact O-CB 3.37Å; L689-C692 PolarHBondContact O-N 3.25Å; C692-R696 PolarHBondContact O-N 3.02Å
693	D	87.1	Confident	86.7	Confident	56 Å²	56	74.9 Å²	74.9	30%	0.299	39%	0.391	S	S	.	.	H	α-helix	trans	-70.8	-40.3	173.8	-71.2	-35.4	0	0	0	111.2	L689 R690 L691 V695 R696 D697	L689-D693 PolarHBondContact O-N 3.38Å; R690-D693 PolarHBondContact O-N 2.78Å; L691-D693 VanDerWaalsContact C-N 3.29Å; L691-D693 PolarHBondContact O-N 2.64Å; D693-V695 PolarHBondContact O-N 2.89Å; D693-R696 PolarHBondContact O-N 2.8Å; D693-R696 VanDerWaalsContact O-N 3.16Å; D693-R696 IonicContact OD1-CZ 3.44Å; D693-R696 IonicContact OD1-NH1 3.87Å; D693-R696 PolarHBondContact OD1-NH1 3.45Å; D693-R696 IonicContact OD1-NH2 3.19Å; D693-R696 PolarHBondContact OD1-NH2 3.2Å; D693-D697 WeakPolarHBondContact O-CB 3.46Å; D693-D697 PolarHBondContact O-N 2.57Å
694	A	87	Confident	86.5	Confident	33 Å²	33	68.8 Å²	68.8	27%	0.273	36%	0.363	S	S	.	.	H	α-helix	trans	-61.6	-42.2	175.3	0	0	0	0	0	112.2	R690 L691 R696 D698 T699	R690-A694 WeakPolarHBondContact O-CB 3.4Å; R690-A694 PolarHBondContact O-N 2.66Å; L691-A694 PolarHBondContact O-N 2.78Å; A694-R696 VanDerWaalsContact C-N 3.32Å; A694-R696 PolarHBondContact O-N 3.28Å; A694-D698 WeakPolarHBondContact O-CA 3.19Å; A694-D698 VanDerWaalsContact O-CB 3.26Å; A694-D698 WeakPolarHBondContact O-CB 3.42Å; A694-D698 PolarHBondContact O-N 3.22Å; A694-T699 PolarHBondContact O-N 2.82Å; A694-T699 VanDerWaalsContact O-N 3.16Å
695	V	87.9	Confident	86.5	Confident	56 Å²	56	60.5 Å²	60.5	34%	0.339	33%	0.328	S	S	.	.	I	π-helix	trans	-62.2	-41.6	174.3	173.9	0	0	0	0	111	L691 D693 L700	L691-V695 WeakPolarHBondContact O-CG2 3.23Å; L691-V695 PolarHBondContact O-N 3.16Å; D693-V695 PolarHBondContact O-N 2.89Å; V695-L700 HydrophobicContact CG1-CD1 3.96Å; V695-L700 HydrophobicContact CG1-CG 3.97Å; V695-L700 WeakPolarHBondContact O-CB 3.31Å; V695-L700 VanDerWaalsContact O-CG 3.31Å; V695-L700 WeakPolarHBondContact O-CG 3.34Å; V695-L700 PolarHBondContact O-N 3.08Å
696	R	88.3	Confident	86.4	Confident	48 Å²	48	60.3 Å²	60.3	18%	0.181	32%	0.321	C	S	.	.	I	π-helix	trans	-66.7	-47.8	178.9	178.8	-175.1	75.5	-134.2	-15.1	112.9	C692 D693 A694 P701 L707 D709	C692-R696 PolarHBondContact O-N 3.02Å; D693-R696 PolarHBondContact O-N 2.8Å; D693-R696 VanDerWaalsContact O-N 3.16Å; D693-R696 IonicContact OD1-CZ 3.44Å; D693-R696 IonicContact OD1-NH1 3.87Å; D693-R696 PolarHBondContact OD1-NH1 3.45Å; D693-R696 IonicContact OD1-NH2 3.19Å; D693-R696 PolarHBondContact OD1-NH2 3.2Å; A694-R696 VanDerWaalsContact C-N 3.32Å; A694-R696 PolarHBondContact O-N 3.28Å; R696-P701 VanDerWaalsContact O-CD 3.24Å; R696-P701 WeakPolarHBondContact O-CD 3.34Å; R696-P701 WeakPolarHBondContact O-CG 3.48Å; R696-L707 HydrophobicContact CG-CB 4.08Å; R696-D709 IonicContact CZ-OD2 3.89Å; R696-D709 IonicContact NH1-OD2 2.87Å; R696-D709 PolarHBondContact NH1-OD2 3.13Å
697	D	85.9	Confident	86.5	Confident	68 Å²	68	56.6 Å²	56.6	36%	0.364	30%	0.297	S	S	.	.	I	π-helix	trans	-98.2	-22.7	-165.2	-63.8	-27	0	0	0	113.1	D693	D693-D697 WeakPolarHBondContact O-CB 3.46Å; D693-D697 PolarHBondContact O-N 2.57Å
698	D	84.1	Confident	86.6	Confident	64 Å²	64	55.8 Å²	55.8	34%	0.342	28%	0.283	S	S	.	.	I	π-helix	trans	-115	-48.6	-176.1	-59.3	-51.5	0	0	0	113	A694 E702 R729	A694-D698 WeakPolarHBondContact O-CA 3.19Å; A694-D698 VanDerWaalsContact O-CB 3.26Å; A694-D698 WeakPolarHBondContact O-CB 3.42Å; A694-D698 PolarHBondContact O-N 3.22Å; D698-E702 WeakPolarHBondContact O-CG 3.4Å; D698-R729 PolarHBondContact O-NH1 2.81Å; D698-R729 IonicContact OD1-CZ 2.79Å; D698-R729 VanDerWaalsContact OD1-CZ 3.31Å; D698-R729 IonicContact OD1-NE 3.37Å; D698-R729 PolarHBondContact OD1-NE 3.36Å; D698-R729 IonicContact OD1-NH2 3.98Å; D698-R729 PolarHBondContact OD1-NH2 3.04Å
699	T	87.2	Confident	86.4	Confident	73 Å²	73	54.5 Å²	54.5	45%	0.448	28%	0.277	S	S	.	.	I	π-helix	trans	-84.3	-52	-171.7	-46.9	0	0	0	0	113.6	A694 E702	A694-T699 PolarHBondContact O-N 2.82Å; A694-T699 VanDerWaalsContact O-N 3.16Å; T699-E702 WeakPolarHBondContact O-CB 3.49Å; T699-E702 PolarHBondContact O-N 2.76Å
700	L	87.1	Confident	86	Confident	8 Å²	8	55.6 Å²	55.6	4%	0.042	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-64.5	-35.8	-177.3	-74.4	176.5	0	0	0	114.1	L669 V695 E702 L703 G704 V705 L707	L669-L700 HydrophobicContact CD2-CD1 4.47Å; L669-L700 HydrophobicContact CD2-CD2 3.91Å; V695-L700 HydrophobicContact CG1-CD1 3.96Å; V695-L700 HydrophobicContact CG1-CG 3.97Å; V695-L700 WeakPolarHBondContact O-CB 3.31Å; V695-L700 VanDerWaalsContact O-CG 3.31Å; V695-L700 WeakPolarHBondContact O-CG 3.34Å; V695-L700 PolarHBondContact O-N 3.08Å; L700-E702 PolarHBondContact O-N 3.04Å; L700-L703 CarbonylContact O-C 3.2Å; L700-L703 WeakPolarHBondContact O-CA 3.33Å; L700-L703 WeakPolarHBondContact O-CB 3.49Å; L700-L703 PolarHBondContact O-N 2.75Å; L700-G704 PolarHBondContact O-N 3.13Å; L700-V705 CarbonylContact C-O 3.55Å; L700-V705 HydrophobicContact CB-CB 4.07Å; L700-V705 HydrophobicContact CB-CG1 4.4Å; L700-V705 HydrophobicContact CD1-CG1 4.49Å; L700-V705 HydrophobicContact CD2-CB 4.27Å; L700-V705 HydrophobicContact CD2-CG1 4.38Å; L700-V705 PolarHBondContact O-N 3.49Å; L700-L707 HydrophobicContact CD1-CD1 3.41Å; L700-L707 VanDerWaalsContact CD1-CD1 3.41Å; L700-L707 HydrophobicContact CD1-CD2 4.45Å; L700-L707 HydrophobicContact CD1-CG 3.76Å
701	P	86.5	Confident	85.2	Confident	16 Å²	16	56 Å²	56	10%	0.104	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-61.8	-29.3	174.9	-28.8	39.5	0	0	0	113.7	R696 L703 G704 L725	R696-P701 VanDerWaalsContact O-CD 3.24Å; R696-P701 WeakPolarHBondContact O-CD 3.34Å; R696-P701 WeakPolarHBondContact O-CG 3.48Å; P701-L703 PolarHBondContact O-N 3.38Å; P701-G704 PolarHBondContact O-N 3.29Å; P701-G704 VanDerWaalsContact O-N 3.12Å; P701-L725 HydrophobicContact CB-CB 4.17Å; P701-L725 HydrophobicContact CB-CD1 4.18Å
702	E	85.2	Confident	84.1	Confident	89 Å²	89	54.9 Å²	54.9	42%	0.416	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-68.1	-15.1	175.1	-67.6	176.1	-168.7	0	0	113.1	D698 T699 L700 K722 L726 R729	D698-E702 WeakPolarHBondContact O-CG 3.4Å; T699-E702 WeakPolarHBondContact O-CB 3.49Å; T699-E702 PolarHBondContact O-N 2.76Å; L700-E702 PolarHBondContact O-N 3.04Å; E702-K722 WeakPolarHBondContact O-CD 3.5Å; E702-K722 WeakPolarHBondContact O-CE 3.41Å; E702-K722 PolarHBondContact O-NZ 3.02Å; E702-L726 HydrophobicContact CG-CD2 4.07Å; E702-R729 IonicContact OE1-NH1 2.78Å; E702-R729 PolarHBondContact OE1-NH1 3.12Å; E702-R729 VanDerWaalsContact OE1-NH1 3.07Å
703	L	84.5	Confident	83.3	Confident	128 Å²	128	57.7 Å²	57.7	67%	0.67	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-105.3	5.1	175.9	-57.5	178.3	0	0	0	112.8	L700 P701 V705	L700-L703 CarbonylContact O-C 3.2Å; L700-L703 WeakPolarHBondContact O-CA 3.33Å; L700-L703 WeakPolarHBondContact O-CB 3.49Å; L700-L703 PolarHBondContact O-N 2.75Å; P701-L703 PolarHBondContact O-N 3.38Å; L703-V705 HydrophobicContact CB-CG2 4.45Å
704	G	84.4	Confident	82.7	Confident	5 Å²	5	60 Å²	60	5%	0.052	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	21.9	-177.2	0	0	0	0	0	114.2	L700 P701 V720	L700-G704 PolarHBondContact O-N 3.13Å; P701-G704 PolarHBondContact O-N 3.29Å; P701-G704 VanDerWaalsContact O-N 3.12Å; G704-V720 CarbonylContact C-O 3.51Å; G704-V720 WeakPolarHBondContact CA-O 3.49Å; G704-V720 PolarHBondContact O-N 3.45Å
705	V	86.5	Confident	82.5	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.024	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.5	-178.6	-176.3	0	0	0	0	110.2	L666 L700 L703 L707 V717 L719	L666-V705 HydrophobicContact CD1-CG1 3.99Å; L666-V705 HydrophobicContact CD1-CG2 3.69Å; L666-V705 HydrophobicContact CD2-CG1 4.13Å; L666-V705 HydrophobicContact CD2-CG2 3.85Å; L666-V705 HydrophobicContact CG-CG2 4.44Å; L700-V705 CarbonylContact C-O 3.55Å; L700-V705 HydrophobicContact CB-CB 4.07Å; L700-V705 HydrophobicContact CB-CG1 4.4Å; L700-V705 HydrophobicContact CD1-CG1 4.49Å; L700-V705 HydrophobicContact CD2-CB 4.27Å; L700-V705 HydrophobicContact CD2-CG1 4.38Å; L700-V705 PolarHBondContact O-N 3.49Å; L703-V705 HydrophobicContact CB-CG2 4.45Å; V705-L707 HydrophobicContact CG1-CD2 4.25Å; V705-V717 HydrophobicContact CG1-CG1 4.24Å; V705-L719 HydrophobicContact CG2-CD2 3.97Å
706	R	88.6	Confident	82.4	Confident	52 Å²	52	56.9 Å²	56.9	20%	0.196	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.4	172.9	-175.6	-172.7	-67.5	168.2	-0	109.5	E541 K718 V720 L725 E728	E541-R706 IonicContact OE2-NH1 3.43Å; R706-K718 HydrophobicContact CB-CB 4.33Å; R706-K718 PolarHBondContact N-O 3.43Å; R706-K718 PolarHBondContact O-N 3.3Å; R706-V720 HydrophobicContact CB-CG2 4.45Å; R706-L725 HydrophobicContact CB-CD2 4.39Å; R706-E728 IonicContact CZ-OE2 2.75Å; R706-E728 VanDerWaalsContact NH2-CD 3.35Å; R706-E728 IonicContact NH2-OE1 3.83Å; R706-E728 PolarHBondContact NH2-OE1 3.29Å; R706-E728 IonicContact NH2-OE2 2.6Å; R706-E728 PolarHBondContact NH2-OE2 2.94Å
707	L	88.3	Confident	82.3	Confident	13 Å²	13	55 Å²	55	7%	0.068	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	134.9	170.2	-52.5	179	0	0	0	110.5	R696 L700 V705 T715 V716 V717	R696-L707 HydrophobicContact CG-CB 4.08Å; L700-L707 HydrophobicContact CD1-CD1 3.41Å; L700-L707 VanDerWaalsContact CD1-CD1 3.41Å; L700-L707 HydrophobicContact CD1-CD2 4.45Å; L700-L707 HydrophobicContact CD1-CG 3.76Å; V705-L707 HydrophobicContact CG1-CD2 4.25Å; L707-T715 HydrophobicContact CB-CG2 3.87Å; L707-T715 HydrophobicContact CD1-CG2 4.48Å; L707-T715 HydrophobicContact CD2-CG2 4.31Å; L707-T715 HydrophobicContact CG-CG2 4.47Å; L707-V716 WeakPolarHBondContact CA-O 3.22Å; L707-V717 HydrophobicContact CD2-CB 4.16Å; L707-V717 HydrophobicContact CD2-CG1 4.04Å; L707-V717 HydrophobicContact CD2-CG2 3.75Å
708	E	85.1	Confident	82.3	Confident	45 Å²	45	51.8 Å²	51.8	21%	0.21	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	116.3	175.4	-71.9	170.8	-158.6	0	0	110	V716 K718	E708-V716 HydrophobicContact CB-CB 4.16Å; E708-V716 PolarHBondContact N-O 3.17Å; E708-V716 PolarHBondContact O-N 2.68Å; E708-K718 WeakPolarHBondContact OE1-CD 3.07Å; E708-K718 IonicContact OE1-NZ 3.63Å; E708-K718 PolarHBondContact OE1-NZ 3.16Å; E708-K718 IonicContact OE2-NZ 3.13Å; E708-K718 PolarHBondContact OE2-NZ 3.29Å
709	D	83.4	Confident	82.2	Confident	35 Å²	35	49.3 Å²	49.3	19%	0.187	28%	0.277	C	S	.	.			trans	-89.1	126.7	179.3	-63.6	-44.3	0	0	0	109.7	R673 R677 R696 T715	R673-D709 IonicContact CZ-OD1 2.67Å; R673-D709 IonicContact CZ-OD2 2.63Å; R673-D709 IonicContact NH1-OD1 3.67Å; R673-D709 PolarHBondContact NH1-OD1 3.11Å; R673-D709 IonicContact NH1-OD2 3.48Å; R673-D709 IonicContact NH2-OD1 3.42Å; R673-D709 PolarHBondContact NH2-OD1 3.1Å; R673-D709 IonicContact NH2-OD2 2.75Å; R673-D709 PolarHBondContact NH2-OD2 3.38Å; R677-D709 IonicContact CZ-OD1 3.59Å; R677-D709 IonicContact CZ-OD2 3.07Å; R677-D709 VanDerWaalsContact NH1-CG 3.34Å; R677-D709 IonicContact NH1-OD1 3.95Å; R677-D709 PolarHBondContact NH1-OD1 3.44Å; R677-D709 IonicContact NH1-OD2 3.31Å; R677-D709 IonicContact NH2-OD2 3.77Å; R677-D709 PolarHBondContact NH2-OD2 3.33Å; R696-D709 IonicContact CZ-OD2 3.89Å; R696-D709 IonicContact NH1-OD2 2.87Å; R696-D709 PolarHBondContact NH1-OD2 3.13Å; D709-T715 PolarHBondContact OD1-OG1 3.15Å
710	H	77	Confident	82	Confident	67 Å²	67	46 Å²	46	31%	0.31	26%	0.257	S	S	.	.			trans	-118.3	140.9	173.8	-63.8	-50.6	0	0	0	110.5	G712 Q713	H710-G712 PolarHBondContact O-N 3.48Å; H710-Q713 HydrophobicContact CB-CB 4.01Å; H710-Q713 PolarHBondContact O-N 2.9Å
711	E	69.6	Low	81.7	Confident	191 Å²	191	48.6 Å²	48.6	89%	0.893	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	119.9	179.5	-74	-170.6	166.8	0	0	111.5	Q713	E711-Q713 VanDerWaalsContact C-N 3.28Å; E711-Q713 PolarHBondContact O-N 3.48Å
712	G	65.1	Low	81.5	Confident	89 Å²	89	53 Å²	53	92%	0.918	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	12.7	177.1	0	0	0	0	0	115.2	H710	H710-G712 PolarHBondContact O-N 3.48Å
713	Q	70.7	Confident	81.2	Confident	72 Å²	72	54.2 Å²	54.2	34%	0.336	29%	0.294	S	S	.	.	S	Bend	trans	-125.3	156.7	175	-64.5	-174.3	-1.3	0	0	110.9	H710 E711	H710-Q713 HydrophobicContact CB-CB 4.01Å; H710-Q713 PolarHBondContact O-N 2.9Å; E711-Q713 VanDerWaalsContact C-N 3.28Å; E711-Q713 PolarHBondContact O-N 3.48Å
714	P	74.9	Confident	80.9	Confident	105 Å²	105	50.1 Å²	50.1	68%	0.682	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-57.4	147.5	172.4	-21.7	33	0	0	0	111.8	V716	P714-V716 PolarHBondContact O-N 3.11Å
715	T	83	Confident	80.8	Confident	15 Å²	15	50.2 Å²	50.2	9%	0.092	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-63.4	129.9	175.4	-59.7	0	0	0	0	110.4	S670 E674 L707 D709	S670-T715 WeakPolarHBondContact OG-CB 3.38Å; E674-T715 PolarHBondContact OE2-OG1 2.91Å; L707-T715 HydrophobicContact CB-CG2 3.87Å; L707-T715 HydrophobicContact CD1-CG2 4.48Å; L707-T715 HydrophobicContact CD2-CG2 4.31Å; L707-T715 HydrophobicContact CG-CG2 4.47Å; D709-T715 PolarHBondContact OD1-OG1 3.15Å
716	V	84.3	Confident	80.5	Confident	8 Å²	8	52.5 Å²	52.5	5%	0.048	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	127.9	179	171	0	0	0	0	109.1	D548 L707 E708 P714 K718	D548-V716 HydrophobicContact CB-CG1 4.21Å; L707-V716 WeakPolarHBondContact CA-O 3.22Å; E708-V716 HydrophobicContact CB-CB 4.16Å; E708-V716 PolarHBondContact N-O 3.17Å; E708-V716 PolarHBondContact O-N 2.68Å; P714-V716 PolarHBondContact O-N 3.11Å; V716-K718 HydrophobicContact CG1-CD 4.39Å; V716-K718 HydrophobicContact CG1-CG 4.04Å
717	V	86	Confident	80	Confident	8 Å²	8	54.9 Å²	54.9	5%	0.048	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	112.1	-178.1	-176.4	0	0	0	0	110	R551 M663 L666 V705 L707	R551-V717 VanDerWaalsContact CZ-O 3.26Å; R551-V717 PolarHBondContact NH1-O 3.41Å; R551-V717 PolarHBondContact NH2-O 3.13Å; M663-V717 HydrophobicContact CE-CB 4.31Å; M663-V717 HydrophobicContact CE-CG1 4.2Å; M663-V717 HydrophobicContact SD-CG1 4.38Å; L666-V717 HydrophobicContact CB-CG1 3.83Å; L666-V717 HydrophobicContact CD1-CG1 4.03Å; V705-V717 HydrophobicContact CG1-CG1 4.24Å; L707-V717 HydrophobicContact CD2-CB 4.16Å; L707-V717 HydrophobicContact CD2-CG1 4.04Å; L707-V717 HydrophobicContact CD2-CG2 3.75Å
718	K	86.1	Confident	79.7	Confident	1 Å²	1	56.8 Å²	56.8	0%	0.004	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	134.1	179	-66.1	174.8	-179.3	168.9	0	110.9	E541 L544 N545 R706 E708 V716 V720	E541-K718 IonicContact OE1-NZ 3.44Å; E541-K718 PolarHBondContact OE1-NZ 2.97Å; E541-K718 IonicContact OE2-NZ 3.36Å; L544-K718 HydrophobicContact CB-CD 3.92Å; L544-K718 HydrophobicContact CB-CG 4.11Å; L544-K718 HydrophobicContact CD1-CB 4.36Å; L544-K718 HydrophobicContact CD1-CD 4.21Å; L544-K718 HydrophobicContact CD2-CB 4.44Å; N545-K718 VanDerWaalsContact OD1-CE 3.31Å; N545-K718 WeakPolarHBondContact OD1-CE 3.5Å; N545-K718 PolarHBondContact OD1-NZ 3.21Å; R706-K718 HydrophobicContact CB-CB 4.33Å; R706-K718 PolarHBondContact N-O 3.43Å; R706-K718 PolarHBondContact O-N 3.3Å; E708-K718 WeakPolarHBondContact OE1-CD 3.07Å; E708-K718 IonicContact OE1-NZ 3.63Å; E708-K718 PolarHBondContact OE1-NZ 3.16Å; E708-K718 IonicContact OE2-NZ 3.13Å; E708-K718 PolarHBondContact OE2-NZ 3.29Å; V716-K718 HydrophobicContact CG1-CD 4.39Å; V716-K718 HydrophobicContact CG1-CG 4.04Å; K718-V720 HydrophobicContact CB-CG2 4.34Å
719	L	83.8	Confident	79.4	Confident	12 Å²	12	57.1 Å²	57.1	6%	0.063	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	122.8	169.3	-71.1	177.6	0	0	0	108.9	L544 V651 E659 M663 L666 V705	L544-L719 VanDerWaalsContact CD2-O 3.28Å; L544-L719 WeakPolarHBondContact CD2-O 3.17Å; V651-L719 HydrophobicContact CG1-CB 4.34Å; V651-L719 HydrophobicContact CG2-CB 4.49Å; E659-L719 HydrophobicContact CB-CD1 3.73Å; E659-L719 HydrophobicContact CG-CD1 3.82Å; M663-L719 HydrophobicContact CG-CD1 4.15Å; M663-L719 HydrophobicContact SD-CD1 3.96Å; M663-L719 HydrophobicContact SD-CG 4.1Å; L666-L719 HydrophobicContact CD1-CD2 3.55Å; L666-L719 HydrophobicContact CD1-CG 4.35Å; V705-L719 HydrophobicContact CG2-CD2 3.97Å
720	V	82.4	Confident	79.3	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.024	32%	0.318	C	S	.	.			trans	-133.3	151	-178	-173.3	0	0	0	0	107.6	L544 G704 R706 K718 K722 T724 L725	L544-V720 HydrophobicContact CD1-CG2 3.83Å; G704-V720 CarbonylContact C-O 3.51Å; G704-V720 WeakPolarHBondContact CA-O 3.49Å; G704-V720 PolarHBondContact O-N 3.45Å; R706-V720 HydrophobicContact CB-CG2 4.45Å; K718-V720 HydrophobicContact CB-CG2 4.34Å; V720-K722 PolarHBondContact O-N 3.11Å; V720-T724 HydrophobicContact CG1-CG2 4.3Å; V720-L725 HydrophobicContact CB-CD1 4.08Å; V720-L725 HydrophobicContact CB-CD2 3.88Å; V720-L725 HydrophobicContact CB-CG 3.88Å; V720-L725 HydrophobicContact CG1-CD2 3.87Å; V720-L725 HydrophobicContact CG1-CG 4Å; V720-L725 HydrophobicContact CG2-CD2 4.26Å
721	D	79.6	Confident	79.4	Confident	61 Å²	61	62.2 Å²	62.2	33%	0.326	33%	0.325	S	S	.	.			trans	-54.8	132.1	173.5	176.8	73.6	0	0	0	111.5	E723 T724 L725	D721-E723 VanDerWaalsContact C-N 3.34Å; D721-E723 PolarHBondContact O-N 3.11Å; D721-E723 WeakPolarHBondContact OD2-CB 3.21Å; D721-E723 PolarHBondContact OD2-N 3.32Å; D721-T724 WeakPolarHBondContact O-CB 3.47Å; D721-T724 PolarHBondContact O-N 3.34Å; D721-T724 PolarHBondContact OD2-N 2.74Å; D721-T724 VanDerWaalsContact OD2-N 3.1Å; D721-T724 PolarHBondContact OD2-OG1 2.93Å; D721-L725 PolarHBondContact O-N 3.34Å; D721-L725 VanDerWaalsContact O-N 3.16Å
722	K	82.2	Confident	80	Confident	108 Å²	108	58.8 Å²	58.8	47%	0.47	31%	0.307	S	S	.	.	H	α-helix	trans	-57.4	-46.4	-176	172.9	-176.7	174.4	168.1	0	111.6	E702 V720 T724 L725 L726	E702-K722 WeakPolarHBondContact O-CD 3.5Å; E702-K722 WeakPolarHBondContact O-CE 3.41Å; E702-K722 PolarHBondContact O-NZ 3.02Å; V720-K722 PolarHBondContact O-N 3.11Å; K722-T724 PolarHBondContact O-N 2.78Å; K722-L725 PolarHBondContact O-N 2.99Å; K722-L726 HydrophobicContact CG-CD1 3.97Å; K722-L726 HydrophobicContact CG-CG 4.38Å; K722-L726 WeakPolarHBondContact O-CG 3.1Å; K722-L726 PolarHBondContact O-N 2.78Å
723	E	80.1	Confident	80.7	Confident	116 Å²	116	59.1 Å²	59.1	54%	0.542	28%	0.283	S	S	.	.	H	α-helix	trans	-64.4	-35.3	-177.6	-59.8	-173.5	175.7	0	0	111.3	D721 L726 R727	D721-E723 VanDerWaalsContact C-N 3.34Å; D721-E723 PolarHBondContact O-N 3.11Å; D721-E723 WeakPolarHBondContact OD2-CB 3.21Å; D721-E723 PolarHBondContact OD2-N 3.32Å; E723-L726 PolarHBondContact O-N 3.37Å; E723-R727 WeakPolarHBondContact O-CB 3.44Å; E723-R727 VanDerWaalsContact O-CG 3.31Å; E723-R727 WeakPolarHBondContact O-CG 3.25Å; E723-R727 PolarHBondContact O-N 3.47Å; E723-R727 IonicContact OE2-NH2 3.59Å; E723-R727 PolarHBondContact OE2-NH2 3.07Å
724	T	78.7	Confident	81.3	Confident	41 Å²	41	61.9 Å²	61.9	25%	0.252	29%	0.294	S	S	.	.	H	α-helix	trans	-62.1	-48.3	176.1	-56.6	0	0	0	0	111.2	V720 D721 K722 L726 R727 E728	V720-T724 HydrophobicContact CG1-CG2 4.3Å; D721-T724 WeakPolarHBondContact O-CB 3.47Å; D721-T724 PolarHBondContact O-N 3.34Å; D721-T724 PolarHBondContact OD2-N 2.74Å; D721-T724 VanDerWaalsContact OD2-N 3.1Å; D721-T724 PolarHBondContact OD2-OG1 2.93Å; K722-T724 PolarHBondContact O-N 2.78Å; T724-L726 VanDerWaalsContact C-N 3.34Å; T724-L726 PolarHBondContact O-N 2.73Å; T724-R727 PolarHBondContact O-N 3.44Å; T724-E728 WeakPolarHBondContact O-CG 3.42Å; T724-E728 PolarHBondContact O-N 3.33Å
725	L	81	Confident	81.4	Confident	8 Å²	8	62.5 Å²	62.5	4%	0.042	29%	0.289	C	S	.	.	H	α-helix	trans	-64.2	-38.2	178.3	-66.7	-175.3	0	0	0	112.6	P701 R706 V720 D721 K722 E728 R729	P701-L725 HydrophobicContact CB-CB 4.17Å; P701-L725 HydrophobicContact CB-CD1 4.18Å; R706-L725 HydrophobicContact CB-CD2 4.39Å; V720-L725 HydrophobicContact CB-CD1 4.08Å; V720-L725 HydrophobicContact CB-CD2 3.88Å; V720-L725 HydrophobicContact CB-CG 3.88Å; V720-L725 HydrophobicContact CG1-CD2 3.87Å; V720-L725 HydrophobicContact CG1-CG 4Å; V720-L725 HydrophobicContact CG2-CD2 4.26Å; D721-L725 PolarHBondContact O-N 3.34Å; D721-L725 VanDerWaalsContact O-N 3.16Å; K722-L725 PolarHBondContact O-N 2.99Å; L725-E728 PolarHBondContact O-N 3.42Å; L725-R729 WeakPolarHBondContact O-CB 3.4Å; L725-R729 PolarHBondContact O-N 2.9Å
726	L	80.6	Confident	81.3	Confident	52 Å²	52	67 Å²	67	27%	0.272	31%	0.309	S	S	.	.	H	α-helix	trans	-65.2	-44.2	177	-69.5	177.6	0	0	0	111.8	E702 K722 E723 T724 R729 E730	E702-L726 HydrophobicContact CG-CD2 4.07Å; K722-L726 HydrophobicContact CG-CD1 3.97Å; K722-L726 HydrophobicContact CG-CG 4.38Å; K722-L726 WeakPolarHBondContact O-CG 3.1Å; K722-L726 PolarHBondContact O-N 2.78Å; E723-L726 PolarHBondContact O-N 3.37Å; T724-L726 VanDerWaalsContact C-N 3.34Å; T724-L726 PolarHBondContact O-N 2.73Å; L726-R729 PolarHBondContact O-N 2.93Å; L726-E730 WeakPolarHBondContact O-CG 3.23Å; L726-E730 PolarHBondContact O-N 2.8Å
727	R	79.3	Confident	81.2	Confident	101 Å²	101	72.7 Å²	72.7	38%	0.381	34%	0.335	S	S	.	.	H	α-helix	trans	-61.1	-46.7	175.5	-73.2	179.6	-129.6	-176.1	0.4	111.7	E723 T724 R729 E730 E731	E723-R727 WeakPolarHBondContact O-CB 3.44Å; E723-R727 VanDerWaalsContact O-CG 3.31Å; E723-R727 WeakPolarHBondContact O-CG 3.25Å; E723-R727 PolarHBondContact O-N 3.47Å; E723-R727 IonicContact OE2-NH2 3.59Å; E723-R727 PolarHBondContact OE2-NH2 3.07Å; T724-R727 PolarHBondContact O-N 3.44Å; R727-R729 VanDerWaalsContact C-N 3.3Å; R727-R729 PolarHBondContact O-N 3.26Å; R727-E730 PolarHBondContact O-N 3.02Å; R727-E731 WeakPolarHBondContact O-CB 3.24Å; R727-E731 WeakPolarHBondContact O-CG 3.25Å; R727-E731 PolarHBondContact O-N 3.38Å
728	E	80.3	Confident	81.1	Confident	53 Å²	53	76 Å²	76	25%	0.248	35%	0.35	C	S	.	.	H	α-helix	trans	-60.5	-38.9	176.5	-72.6	177	170.7	0	0	112.3	R706 T724 L725 E731 K732	R706-E728 IonicContact CZ-OE2 2.75Å; R706-E728 VanDerWaalsContact NH2-CD 3.35Å; R706-E728 IonicContact NH2-OE1 3.83Å; R706-E728 PolarHBondContact NH2-OE1 3.29Å; R706-E728 IonicContact NH2-OE2 2.6Å; R706-E728 PolarHBondContact NH2-OE2 2.94Å; T724-E728 WeakPolarHBondContact O-CG 3.42Å; T724-E728 PolarHBondContact O-N 3.33Å; L725-E728 PolarHBondContact O-N 3.42Å; E728-E731 PolarHBondContact O-N 3.46Å; E728-K732 VanDerWaalsContact O-CB 3.28Å; E728-K732 WeakPolarHBondContact O-CB 3.28Å; E728-K732 PolarHBondContact O-N 3.48Å
729	R	79.7	Confident	80.9	Confident	52 Å²	52	83.6 Å²	83.6	20%	0.196	38%	0.383	C	S	.	.	H	α-helix	trans	-65	-44.2	175.8	-176.7	178.3	177.4	-151.2	-3.8	111.3	D698 E702 L725 L726 R727 K732 K733	D698-R729 PolarHBondContact O-NH1 2.81Å; D698-R729 IonicContact OD1-CZ 2.79Å; D698-R729 VanDerWaalsContact OD1-CZ 3.31Å; D698-R729 IonicContact OD1-NE 3.37Å; D698-R729 PolarHBondContact OD1-NE 3.36Å; D698-R729 IonicContact OD1-NH2 3.98Å; D698-R729 PolarHBondContact OD1-NH2 3.04Å; E702-R729 IonicContact OE1-NH1 2.78Å; E702-R729 PolarHBondContact OE1-NH1 3.12Å; E702-R729 VanDerWaalsContact OE1-NH1 3.07Å; L725-R729 WeakPolarHBondContact O-CB 3.4Å; L725-R729 PolarHBondContact O-N 2.9Å; L726-R729 PolarHBondContact O-N 2.93Å; R727-R729 VanDerWaalsContact C-N 3.3Å; R727-R729 PolarHBondContact O-N 3.26Å; R729-K732 PolarHBondContact O-N 3.34Å; R729-K733 WeakPolarHBondContact O-CB 3.17Å; R729-K733 WeakPolarHBondContact O-CG 3.45Å; R729-K733 PolarHBondContact O-N 2.98Å
730	E	81.3	Confident	80.9	Confident	113 Å²	113	89.3 Å²	89.3	53%	0.528	41%	0.407	S	S	.	.	H	α-helix	trans	-64.2	-43.4	175.2	-75.1	-176.2	-175.2	0	0	112.4	L726 R727 K733 K734	L726-E730 WeakPolarHBondContact O-CG 3.23Å; L726-E730 PolarHBondContact O-N 2.8Å; R727-E730 PolarHBondContact O-N 3.02Å; E730-K733 PolarHBondContact O-N 3.39Å; E730-K734 WeakPolarHBondContact O-CB 3.45Å; E730-K734 WeakPolarHBondContact O-CG 3.02Å; E730-K734 PolarHBondContact O-N 3.28Å
731	E	79.9	Confident	81	Confident	97 Å²	97	96.5 Å²	96.5	45%	0.453	43%	0.434	S	S	.	.	H	α-helix	trans	-60.5	-44.9	175.1	-75.7	174.4	177	0	0	111.2	R727 E728 K734 M735	R727-E731 WeakPolarHBondContact O-CB 3.24Å; R727-E731 WeakPolarHBondContact O-CG 3.25Å; R727-E731 PolarHBondContact O-N 3.38Å; E728-E731 PolarHBondContact O-N 3.46Å; E731-K734 PolarHBondContact O-N 3.01Å; E731-M735 WeakPolarHBondContact O-CB 3.24Å; E731-M735 WeakPolarHBondContact O-CG 3.33Å; E731-M735 PolarHBondContact O-N 2.94Å
732	K	80.9	Confident	81.3	Confident	118 Å²	118	99.4 Å²	99.4	51%	0.513	44%	0.444	S	S	.	.	H	α-helix	trans	-62.4	-44.1	176.4	-170.5	179.2	176.9	-172.9	0	111.6	E728 R729 M735 E736	E728-K732 VanDerWaalsContact O-CB 3.28Å; E728-K732 WeakPolarHBondContact O-CB 3.28Å; E728-K732 PolarHBondContact O-N 3.48Å; R729-K732 PolarHBondContact O-N 3.34Å; K732-M735 PolarHBondContact O-N 3.38Å; K732-E736 VanDerWaalsContact CE-OE1 3.3Å; K732-E736 WeakPolarHBondContact CE-OE1 3.21Å; K732-E736 WeakPolarHBondContact O-CB 3.38Å; K732-E736 WeakPolarHBondContact O-CG 3.5Å; K732-E736 PolarHBondContact O-N 3.18Å
733	K	80.8	Confident	81.5	Confident	97 Å²	97	102 Å²	102	42%	0.422	46%	0.455	S	S	.	.	H	α-helix	trans	-59.4	-47.8	174	-76.7	177.4	-179.4	179.2	0	111.5	R729 E730 M735 E736 E737	R729-K733 WeakPolarHBondContact O-CB 3.17Å; R729-K733 WeakPolarHBondContact O-CG 3.45Å; R729-K733 PolarHBondContact O-N 2.98Å; E730-K733 PolarHBondContact O-N 3.39Å; K733-M735 PolarHBondContact O-N 3.14Å; K733-E736 PolarHBondContact O-N 3.39Å; K733-E737 WeakPolarHBondContact O-CB 3.4Å; K733-E737 VanDerWaalsContact O-CG 3.3Å; K733-E737 WeakPolarHBondContact O-CG 3.41Å; K733-E737 PolarHBondContact O-N 3.26Å
734	K	81.7	Confident	81.7	Confident	130 Å²	130	101.7 Å²	101.7	57%	0.565	45%	0.454	S	S	*	.	H	α-helix	trans	-59.6	-44	176.4	-75	173.4	-176.9	168.5	0	112	E730 E731 E737 E738	E730-K734 WeakPolarHBondContact O-CB 3.45Å; E730-K734 WeakPolarHBondContact O-CG 3.02Å; E730-K734 PolarHBondContact O-N 3.28Å; E731-K734 PolarHBondContact O-N 3.01Å; K734-E737 PolarHBondContact O-N 3.18Å; K734-E738 WeakPolarHBondContact O-CB 3.27Å; K734-E738 PolarHBondContact O-N 2.95Å
735	M	77.2	Confident	82.1	Confident	118 Å²	118	103.3 Å²	103.3	58%	0.581	46%	0.458	S	S	*	.	H	α-helix	trans	-65.1	-41	176.8	-77.6	-169	-75.3	0	0	112.3	E731 K732 K733 E738 K739	E731-M735 WeakPolarHBondContact O-CB 3.24Å; E731-M735 WeakPolarHBondContact O-CG 3.33Å; E731-M735 PolarHBondContact O-N 2.94Å; K732-M735 PolarHBondContact O-N 3.38Å; K733-M735 PolarHBondContact O-N 3.14Å; M735-E738 PolarHBondContact O-N 3.36Å; M735-K739 VanDerWaalsContact O-CB 3.26Å; M735-K739 WeakPolarHBondContact O-CB 3.34Å; M735-K739 PolarHBondContact O-N 3.28Å
736	E	81.6	Confident	82.2	Confident	108 Å²	108	105.8 Å²	105.8	51%	0.505	48%	0.48	S	S	.	.	H	α-helix	trans	-66	-42.6	176.3	-76.7	176.9	-174.7	0	0	111.6	K732 K733 K739 K740	K732-E736 VanDerWaalsContact CE-OE1 3.3Å; K732-E736 WeakPolarHBondContact CE-OE1 3.21Å; K732-E736 WeakPolarHBondContact O-CB 3.38Å; K732-E736 WeakPolarHBondContact O-CG 3.5Å; K732-E736 PolarHBondContact O-N 3.18Å; K733-E736 PolarHBondContact O-N 3.39Å; E736-K739 PolarHBondContact O-N 3.48Å; E736-K740 VanDerWaalsContact O-CB 3.28Å; E736-K740 WeakPolarHBondContact O-CB 3.35Å; E736-K740 PolarHBondContact O-N 2.89Å
737	E	81.9	Confident	82.5	Confident	129 Å²	129	106 Å²	106	60%	0.603	49%	0.489	S	S	*	.	H	α-helix	trans	-61.9	-43.5	173	-75.2	174	-178.8	0	0	111.7	K733 K734 K740 R741	K733-E737 WeakPolarHBondContact O-CB 3.4Å; K733-E737 VanDerWaalsContact O-CG 3.3Å; K733-E737 WeakPolarHBondContact O-CG 3.41Å; K733-E737 PolarHBondContact O-N 3.26Å; K734-E737 PolarHBondContact O-N 3.18Å; E737-K740 PolarHBondContact O-N 2.65Å; E737-R741 WeakPolarHBondContact O-CB 3.35Å; E737-R741 PolarHBondContact O-N 3.39Å
738	E	83.4	Confident	82.7	Confident	76 Å²	76	108 Å²	108	36%	0.355	50%	0.497	S	S	.	.	H	α-helix	trans	-65.8	-42	176.7	-170.2	-175.5	167.9	0	0	111.4	K734 M735 K740 R741 K742	K734-E738 WeakPolarHBondContact O-CB 3.27Å; K734-E738 PolarHBondContact O-N 2.95Å; M735-E738 PolarHBondContact O-N 3.36Å; E738-K740 VanDerWaalsContact C-N 3.33Å; E738-K740 PolarHBondContact O-N 2.95Å; E738-R741 PolarHBondContact O-N 3.02Å; E738-K742 HydrophobicContact CG-CD 4.33Å; E738-K742 WeakPolarHBondContact O-CB 3.24Å; E738-K742 WeakPolarHBondContact O-CG 3.35Å; E738-K742 PolarHBondContact O-N 3.43Å; E738-K742 WeakPolarHBondContact OE1-CE 3.24Å; E738-K742 IonicContact OE1-NZ 3.65Å; E738-K742 PolarHBondContact OE1-NZ 2.85Å
739	K	83.4	Confident	82.9	Confident	161 Å²	161	110.4 Å²	110.4	70%	0.7	51%	0.506	S	S	*	.	H	α-helix	trans	-63.7	-40.1	175.6	-172.5	177.3	-177.8	178.6	0	111	M735 E736 K743	M735-K739 VanDerWaalsContact O-CB 3.26Å; M735-K739 WeakPolarHBondContact O-CB 3.34Å; M735-K739 PolarHBondContact O-N 3.28Å; E736-K739 PolarHBondContact O-N 3.48Å; K739-K743 VanDerWaalsContact O-CB 3.31Å; K739-K743 WeakPolarHBondContact O-CB 3.33Å; K739-K743 PolarHBondContact O-N 3.16Å
740	K	83.6	Confident	83.1	Confident	132 Å²	132	114 Å²	114	57%	0.574	52%	0.524	S	S	*	.	H	α-helix	trans	-63.1	-48.2	173.9	-174.7	-178.9	174.4	-172.7	0	110.7	E736 E737 E738 K742 K743 E744	E736-K740 VanDerWaalsContact O-CB 3.28Å; E736-K740 WeakPolarHBondContact O-CB 3.35Å; E736-K740 PolarHBondContact O-N 2.89Å; E737-K740 PolarHBondContact O-N 2.65Å; E738-K740 VanDerWaalsContact C-N 3.33Å; E738-K740 PolarHBondContact O-N 2.95Å; K740-K742 PolarHBondContact O-N 3.15Å; K740-K743 WeakPolarHBondContact O-CB 3.33Å; K740-K743 PolarHBondContact O-N 3.48Å; K740-K743 VanDerWaalsContact O-N 3.13Å; K740-E744 WeakPolarHBondContact CE-OE1 3.32Å; K740-E744 WeakPolarHBondContact CG-OE1 3.35Å; K740-E744 WeakPolarHBondContact O-CB 3.45Å; K740-E744 WeakPolarHBondContact O-CG 3.5Å; K740-E744 PolarHBondContact O-N 2.92Å
741	R	84.9	Confident	83.2	Confident	156 Å²	156	114.8 Å²	114.8	59%	0.589	53%	0.527	S	S	*	.	H	α-helix	trans	-58.8	-45.7	175.9	-171.8	179	69.6	-165.3	-0.4	112	E737 E738 K743 E744 E745	E737-R741 WeakPolarHBondContact O-CB 3.35Å; E737-R741 PolarHBondContact O-N 3.39Å; E738-R741 PolarHBondContact O-N 3.02Å; R741-K743 VanDerWaalsContact C-N 3.34Å; R741-K743 PolarHBondContact O-N 3.36Å; R741-E744 PolarHBondContact O-N 3.47Å; R741-E745 WeakPolarHBondContact O-CB 3.35Å; R741-E745 PolarHBondContact O-N 3.15Å
742	K	85.1	Confident	83.3	Confident	121 Å²	121	115.4 Å²	115.4	53%	0.526	53%	0.53	S	S	.	.	H	α-helix	trans	-61.9	-40.2	175.1	-77.5	176	178.1	166.3	0	111.7	E738 K740 A746	E738-K742 HydrophobicContact CG-CD 4.33Å; E738-K742 WeakPolarHBondContact O-CB 3.24Å; E738-K742 WeakPolarHBondContact O-CG 3.35Å; E738-K742 PolarHBondContact O-N 3.43Å; E738-K742 WeakPolarHBondContact OE1-CE 3.24Å; E738-K742 IonicContact OE1-NZ 3.65Å; E738-K742 PolarHBondContact OE1-NZ 2.85Å; K740-K742 PolarHBondContact O-N 3.15Å; K742-A746 VanDerWaalsContact O-CB 3.25Å; K742-A746 WeakPolarHBondContact O-CB 3.23Å; K742-A746 PolarHBondContact O-N 3.49Å
743	K	85.8	Confident	83.2	Confident	163 Å²	163	116.3 Å²	116.3	71%	0.709	54%	0.536	S	S	*	.	H	α-helix	trans	-66.8	-42.8	176.6	-172.9	179.7	178.1	-176.2	0	111.7	K739 K740 R741 A746 A747	K739-K743 VanDerWaalsContact O-CB 3.31Å; K739-K743 WeakPolarHBondContact O-CB 3.33Å; K739-K743 PolarHBondContact O-N 3.16Å; K740-K743 WeakPolarHBondContact O-CB 3.33Å; K740-K743 PolarHBondContact O-N 3.48Å; K740-K743 VanDerWaalsContact O-N 3.13Å; R741-K743 VanDerWaalsContact C-N 3.34Å; R741-K743 PolarHBondContact O-N 3.36Å; K743-A746 PolarHBondContact O-N 3.22Å; K743-A747 WeakPolarHBondContact O-CB 3.47Å; K743-A747 PolarHBondContact O-N 2.69Å
744	E	85.6	Confident	83.3	Confident	110 Å²	110	116.4 Å²	116.4	51%	0.514	54%	0.538	S	S	.	.	H	α-helix	trans	-65.5	-43.3	175.9	-73.2	171.7	-179.1	0	0	111.6	K740 R741 A747 R748	K740-E744 WeakPolarHBondContact CE-OE1 3.32Å; K740-E744 WeakPolarHBondContact CG-OE1 3.35Å; K740-E744 WeakPolarHBondContact O-CB 3.45Å; K740-E744 WeakPolarHBondContact O-CG 3.5Å; K740-E744 PolarHBondContact O-N 2.92Å; R741-E744 PolarHBondContact O-N 3.47Å; E744-A747 PolarHBondContact O-N 2.93Å; E744-R748 WeakPolarHBondContact O-CB 3.41Å; E744-R748 PolarHBondContact O-N 3.26Å
745	E	85.9	Confident	83.2	Confident	75 Å²	75	116.1 Å²	116.1	35%	0.35	54%	0.54	S	S	.	.	H	α-helix	trans	-64.4	-41.9	175.9	-166.7	-168.3	150.9	0	0	111.7	R741 R748 K749	R741-E745 WeakPolarHBondContact O-CB 3.35Å; R741-E745 PolarHBondContact O-N 3.15Å; E745-R748 PolarHBondContact O-N 3.06Å; E745-K749 WeakPolarHBondContact O-CB 3.04Å; E745-K749 WeakPolarHBondContact O-CG 3.19Å; E745-K749 PolarHBondContact O-N 3.45Å; E745-K749 WeakPolarHBondContact OE1-CE 3.5Å; E745-K749 IonicContact OE1-NZ 3.34Å; E745-K749 PolarHBondContact OE1-NZ 3.41Å
746	A	83.8	Confident	83.3	Confident	59 Å²	59	112.9 Å²	112.9	49%	0.488	53%	0.532	S	S	.	.	H	α-helix	trans	-64.6	-40.5	174.8	0	0	0	0	0	111.9	K742 K743 K750	K742-A746 VanDerWaalsContact O-CB 3.25Å; K742-A746 WeakPolarHBondContact O-CB 3.23Å; K742-A746 PolarHBondContact O-N 3.49Å; K743-A746 PolarHBondContact O-N 3.22Å; A746-K750 WeakPolarHBondContact O-CB 3.36Å; A746-K750 PolarHBondContact O-N 3.1Å
747	A	85.5	Confident	83.3	Confident	58 Å²	58	113.5 Å²	113.5	48%	0.479	53%	0.533	S	S	.	.	H	α-helix	trans	-63.9	-43.8	175	0	0	0	0	0	111.6	K743 E744 K750 Q751	K743-A747 WeakPolarHBondContact O-CB 3.47Å; K743-A747 PolarHBondContact O-N 2.69Å; E744-A747 PolarHBondContact O-N 2.93Å; A747-K750 PolarHBondContact O-N 3.46Å; A747-Q751 WeakPolarHBondContact O-CB 3.4Å; A747-Q751 PolarHBondContact O-N 2.89Å
748	R	85.1	Confident	83.2	Confident	143 Å²	143	110.8 Å²	110.8	54%	0.54	52%	0.523	S	S	.	.	H	α-helix	trans	-61.7	-47.5	175.9	-169.8	-179.5	71.1	-157.5	-3	111.7	E744 E745 K750 Q751 E752	E744-R748 WeakPolarHBondContact O-CB 3.41Å; E744-R748 PolarHBondContact O-N 3.26Å; E745-R748 PolarHBondContact O-N 3.06Å; R748-K750 VanDerWaalsContact C-N 3.31Å; R748-K750 PolarHBondContact O-N 2.88Å; R748-Q751 PolarHBondContact O-N 3.38Å; R748-E752 IonicContact NE-OE1 3.91Å; R748-E752 WeakPolarHBondContact O-CB 3.36Å; R748-E752 WeakPolarHBondContact O-CG 3.42Å; R748-E752 PolarHBondContact O-N 3.11Å
749	K	84.4	Confident	83	Confident	102 Å²	102	109.9 Å²	109.9	44%	0.443	53%	0.528	S	S	.	.	H	α-helix	trans	-59.5	-40.5	175.7	-79.9	175.2	172	162.4	0	112	E745 Q753	E745-K749 WeakPolarHBondContact O-CB 3.04Å; E745-K749 WeakPolarHBondContact O-CG 3.19Å; E745-K749 PolarHBondContact O-N 3.45Å; E745-K749 WeakPolarHBondContact OE1-CE 3.5Å; E745-K749 IonicContact OE1-NZ 3.34Å; E745-K749 PolarHBondContact OE1-NZ 3.41Å; K749-Q753 WeakPolarHBondContact O-CB 3.17Å; K749-Q753 VanDerWaalsContact O-CG 3.22Å; K749-Q753 WeakPolarHBondContact O-CG 3.34Å; K749-Q753 PolarHBondContact O-N 3.5Å
750	K	83.8	Confident	82.8	Confident	128 Å²	128	109 Å²	109	56%	0.557	52%	0.524	S	S	*	.	H	α-helix	trans	-64.5	-44.2	175.7	-172.9	-178.6	174.8	-169.7	0	111.4	A746 A747 R748 Q753 E754	A746-K750 WeakPolarHBondContact O-CB 3.36Å; A746-K750 PolarHBondContact O-N 3.1Å; A747-K750 PolarHBondContact O-N 3.46Å; R748-K750 VanDerWaalsContact C-N 3.31Å; R748-K750 PolarHBondContact O-N 2.88Å; K750-Q753 PolarHBondContact O-N 3.07Å; K750-E754 WeakPolarHBondContact CE-OE1 3.42Å; K750-E754 IonicContact NZ-OE1 2.76Å; K750-E754 WeakPolarHBondContact O-CB 3.38Å; K750-E754 WeakPolarHBondContact O-CG 3.43Å; K750-E754 PolarHBondContact O-N 3.26Å
751	Q	82.2	Confident	82.6	Confident	130 Å²	130	103.1 Å²	103.1	61%	0.607	50%	0.499	S	S	*	.	H	α-helix	trans	-65.3	-41.1	178	-166.5	176.4	4	0	0	111.9	A747 R748 E754 M755	A747-Q751 WeakPolarHBondContact O-CB 3.4Å; A747-Q751 PolarHBondContact O-N 2.89Å; R748-Q751 PolarHBondContact O-N 3.38Å; Q751-E754 PolarHBondContact O-N 3.02Å; Q751-M755 WeakPolarHBondContact O-CB 3.35Å; Q751-M755 VanDerWaalsContact O-CG 3.23Å; Q751-M755 WeakPolarHBondContact O-CG 3.32Å; Q751-M755 PolarHBondContact O-N 3.11Å
752	E	83.6	Confident	82.4	Confident	109 Å²	109	101.1 Å²	101.1	51%	0.509	49%	0.494	S	S	.	.	H	α-helix	trans	-61.5	-42.5	172.4	-74.7	168.9	-172.6	0	0	111.7	R748 M755 A756	R748-E752 IonicContact NE-OE1 3.91Å; R748-E752 WeakPolarHBondContact O-CB 3.36Å; R748-E752 WeakPolarHBondContact O-CG 3.42Å; R748-E752 PolarHBondContact O-N 3.11Å; E752-M755 PolarHBondContact O-N 2.83Å; E752-A756 VanDerWaalsContact O-CB 3.25Å; E752-A756 WeakPolarHBondContact O-CB 3.47Å; E752-A756 PolarHBondContact O-N 3.34Å
753	Q	78.9	Confident	82.1	Confident	137 Å²	137	98.1 Å²	98.1	64%	0.64	49%	0.486	S	S	*	.	H	α-helix	trans	-65.2	-41.7	175.9	-76.2	174.5	-0.7	0	0	112.6	K749 K750 A756 K757	K749-Q753 WeakPolarHBondContact O-CB 3.17Å; K749-Q753 VanDerWaalsContact O-CG 3.22Å; K749-Q753 WeakPolarHBondContact O-CG 3.34Å; K749-Q753 PolarHBondContact O-N 3.5Å; K750-Q753 PolarHBondContact O-N 3.07Å; Q753-A756 PolarHBondContact O-N 3.42Å; Q753-K757 VanDerWaalsContact O-CB 3.31Å; Q753-K757 WeakPolarHBondContact O-CB 3.38Å; Q753-K757 PolarHBondContact O-N 3.07Å
754	E	81.3	Confident	81.8	Confident	100 Å²	100	91.9 Å²	91.9	47%	0.467	46%	0.462	S	S	.	.	H	α-helix	trans	-65.4	-44.5	175.8	-76.8	175.5	179.2	0	0	111.3	K750 Q751 K757 L758	K750-E754 WeakPolarHBondContact CE-OE1 3.42Å; K750-E754 IonicContact NZ-OE1 2.76Å; K750-E754 WeakPolarHBondContact O-CB 3.38Å; K750-E754 WeakPolarHBondContact O-CG 3.43Å; K750-E754 PolarHBondContact O-N 3.26Å; Q751-E754 PolarHBondContact O-N 3.02Å; E754-K757 PolarHBondContact O-N 3.38Å; E754-L758 WeakPolarHBondContact O-CB 3.47Å; E754-L758 PolarHBondContact O-N 3.14Å
755	M	79.6	Confident	81.5	Confident	123 Å²	123	87.4 Å²	87.4	61%	0.606	44%	0.443	S	S	*	.	H	α-helix	trans	-63.1	-41.9	175.1	-73.2	-67.2	-66.4	0	0	112.1	Q751 E752 L758 A759	Q751-M755 WeakPolarHBondContact O-CB 3.35Å; Q751-M755 VanDerWaalsContact O-CG 3.23Å; Q751-M755 WeakPolarHBondContact O-CG 3.32Å; Q751-M755 PolarHBondContact O-N 3.11Å; E752-M755 PolarHBondContact O-N 2.83Å; M755-L758 PolarHBondContact O-N 2.87Å; M755-A759 VanDerWaalsContact O-CB 3.31Å; M755-A759 WeakPolarHBondContact O-CB 3.29Å; M755-A759 PolarHBondContact O-N 2.87Å
756	A	80.9	Confident	81	Confident	50 Å²	50	86.2 Å²	86.2	41%	0.413	44%	0.442	S	S	.	.	H	α-helix	trans	-66.4	-36.8	175.3	0	0	0	0	0	112.1	E752 Q753 K760	E752-A756 VanDerWaalsContact O-CB 3.25Å; E752-A756 WeakPolarHBondContact O-CB 3.47Å; E752-A756 PolarHBondContact O-N 3.34Å; Q753-A756 PolarHBondContact O-N 3.42Å; A756-K760 WeakPolarHBondContact O-CG 3.43Å; A756-K760 PolarHBondContact O-N 3.46Å
757	K	80.6	Confident	80.6	Confident	121 Å²	121	88.8 Å²	88.8	53%	0.526	44%	0.444	S	S	.	.	H	α-helix	trans	-65.3	-47.9	173.7	-173.3	-175.1	175.8	-171.1	0	110.8	Q753 E754 A759 K760 M761	Q753-K757 VanDerWaalsContact O-CB 3.31Å; Q753-K757 WeakPolarHBondContact O-CB 3.38Å; Q753-K757 PolarHBondContact O-N 3.07Å; E754-K757 PolarHBondContact O-N 3.38Å; K757-A759 PolarHBondContact O-N 3.14Å; K757-K760 WeakPolarHBondContact O-CB 3.16Å; K757-K760 PolarHBondContact O-N 2.75Å; K757-M761 HydrophobicContact CG-SD 4.1Å; K757-M761 VanDerWaalsContact O-CG 3.27Å; K757-M761 WeakPolarHBondContact O-CG 3.4Å; K757-M761 PolarHBondContact O-N 3.18Å
758	L	79.3	Confident	80.4	Confident	73 Å²	73	88.2 Å²	88.2	38%	0.382	43%	0.432	S	S	.	.	H	α-helix	trans	-59.3	-43.4	174.7	-93.9	146.5	0	0	0	112	E754 M755 K760 M761 K762 Y816	E754-L758 WeakPolarHBondContact O-CB 3.47Å; E754-L758 PolarHBondContact O-N 3.14Å; M755-L758 PolarHBondContact O-N 2.87Å; L758-K760 VanDerWaalsContact C-N 3.34Å; L758-K760 PolarHBondContact O-N 2.93Å; L758-M761 PolarHBondContact O-N 3.31Å; L758-K762 WeakPolarHBondContact O-CG 3.24Å; L758-K762 PolarHBondContact O-N 3.1Å; L758-Y816 HydrophobicContact CD2-CD2 4.36Å; L758-Y816 HydrophobicContact CD2-CE2 4.34Å
759	A	80.5	Confident	80.2	Confident	56 Å²	56	81.6 Å²	81.6	46%	0.463	41%	0.407	S	S	.	.	H	α-helix	trans	-61.2	-41.6	175.5	0	0	0	0	0	111.8	M755 K757 K762	M755-A759 VanDerWaalsContact O-CB 3.31Å; M755-A759 WeakPolarHBondContact O-CB 3.29Å; M755-A759 PolarHBondContact O-N 2.87Å; K757-A759 PolarHBondContact O-N 3.14Å; A759-K762 PolarHBondContact O-N 3.22Å
760	K	78.6	Confident	79.8	Confident	143 Å²	143	82.4 Å²	82.4	62%	0.622	41%	0.407	S	S	*	.	H	α-helix	trans	-64.5	-44.1	173.1	-74.6	176.7	179.9	-177.2	0	112	A756 K757 L758 K762 V763 Q809	A756-K760 WeakPolarHBondContact O-CG 3.43Å; A756-K760 PolarHBondContact O-N 3.46Å; K757-K760 WeakPolarHBondContact O-CB 3.16Å; K757-K760 PolarHBondContact O-N 2.75Å; L758-K760 VanDerWaalsContact C-N 3.34Å; L758-K760 PolarHBondContact O-N 2.93Å; K760-K762 VanDerWaalsContact C-N 3.25Å; K760-K762 PolarHBondContact O-N 2.84Å; K760-V763 PolarHBondContact O-N 3.03Å; K760-Q809 PolarHBondContact O-NE2 3.17Å
761	M	79.3	Confident	79.3	Confident	8 Å²	8	80.7 Å²	80.7	4%	0.039	41%	0.412	C	S	.	.	H	α-helix	trans	-66.2	-26.4	179	-63.9	170.7	74.3	0	0	112.8	K757 L758 V763 L812 H813 E815 Y816 M819	K757-M761 HydrophobicContact CG-SD 4.1Å; K757-M761 VanDerWaalsContact O-CG 3.27Å; K757-M761 WeakPolarHBondContact O-CG 3.4Å; K757-M761 PolarHBondContact O-N 3.18Å; L758-M761 PolarHBondContact O-N 3.31Å; M761-V763 VanDerWaalsContact C-N 3.3Å; M761-V763 PolarHBondContact O-N 3.46Å; M761-L812 VanDerWaalsContact CE-O 3.26Å; M761-L812 WeakPolarHBondContact CE-O 3.32Å; M761-L812 HydrophobicContact CG-CB 4.17Å; M761-L812 HydrophobicContact CG-CD2 4.19Å; M761-H813 WeakPolarHBondContact O-CA 3.14Å; M761-H813 PolarHBondContact O-ND1 2.91Å; M761-E815 HydrophobicContact CE-CB 3.78Å; M761-Y816 HydrophobicContact CB-CG 4.4Å; M761-M819 HydrophobicContact CE-SD 4.41Å
762	K	79.8	Confident	79	Confident	115 Å²	115	77.1 Å²	77.1	50%	0.5	40%	0.395	S	S	.	.	H	α-helix	trans	-66.7	-26	175.4	-81	176.6	-179	-172.1	0	114	L758 A759 K760 P764 H813 Y816	L758-K762 WeakPolarHBondContact O-CG 3.24Å; L758-K762 PolarHBondContact O-N 3.1Å; A759-K762 PolarHBondContact O-N 3.22Å; K760-K762 VanDerWaalsContact C-N 3.25Å; K760-K762 PolarHBondContact O-N 2.84Å; K762-P764 VanDerWaalsContact O-CD 3.26Å; K762-P764 WeakPolarHBondContact O-CD 3.38Å; K762-H813 PolarHBondContact O-CE1 3.38Å; K762-Y816 HydrophobicContact CD-CE2 4.43Å; K762-Y816 WeakPolarHBondContact CE-OH 3.36Å; K762-Y816 HydrophobicContact CG-CD2 4.27Å; K762-Y816 HydrophobicContact CG-CE1 4.02Å; K762-Y816 HydrophobicContact CG-CE2 3.59Å; K762-Y816 VanDerWaalsContact CG-CZ 3.45Å
763	V	80.1	Confident	78.4	Confident	57 Å²	57	77.2 Å²	77.2	35%	0.345	40%	0.403	S	S	.	.	S	Bend	trans	-73.3	117.7	-176.5	-179.7	0	0	0	0	109.5	K760 M761 M768 Q809 H813	K760-V763 PolarHBondContact O-N 3.03Å; M761-V763 VanDerWaalsContact C-N 3.3Å; M761-V763 PolarHBondContact O-N 3.46Å; V763-M768 HydrophobicContact CG1-CB 4.34Å; V763-Q809 PolarHBondContact O-NE2 3.1Å; V763-H813 PolarHBondContact O-ND1 3.05Å
764	P	80.1	Confident	78.2	Confident	33 Å²	33	76 Å²	76	21%	0.214	40%	0.401	C	S	.	.			trans	-60.3	142.7	173.9	-22.7	35	0	0	0	110.8	K762 C766 E767 M768	K762-P764 VanDerWaalsContact O-CD 3.26Å; K762-P764 WeakPolarHBondContact O-CD 3.38Å; P764-C766 PolarHBondContact O-N 3.32Å; P764-C766 VanDerWaalsContact O-N 3.13Å; P764-E767 HydrophobicContact CB-CG 4.44Å; P764-E767 HydrophobicContact CG-CG 4.49Å; P764-E767 PolarHBondContact O-N 2.85Å; P764-M768 PolarHBondContact O-N 3.19Å
765	P	77.8	Confident	77.8	Confident	16 Å²	16	75.7 Å²	75.7	10%	0.104	40%	0.398	C	S	.	.	H	α-helix	trans	-54.5	-35.6	178.8	-26.6	35	0	0	0	113	E767 M768 F806 Q809 E810 H813	P765-E767 VanDerWaalsContact C-N 3.26Å; P765-E767 PolarHBondContact O-N 2.93Å; P765-M768 WeakPolarHBondContact O-CB 3.44Å; P765-M768 PolarHBondContact O-N 3.19Å; P765-F806 HydrophobicContact CB-CD1 4.47Å; P765-F806 HydrophobicContact CB-CD2 4.38Å; P765-F806 HydrophobicContact CB-CE1 4Å; P765-F806 HydrophobicContact CB-CE2 3.92Å; P765-F806 HydrophobicContact CB-CZ 3.71Å; P765-F806 WeakPolarHBondContact O-CE2 3.41Å; P765-Q809 HydrophobicContact CG-CG 4.44Å; P765-E810 HydrophobicContact CB-CB 4.41Å; P765-E810 VanDerWaalsContact CG-CA 3.46Å; P765-E810 HydrophobicContact CG-CB 3.88Å; P765-E810 HydrophobicContact CG-CG 4.27Å; P765-H813 HydrophobicContact CG-CB 4.27Å
766	C	76.6	Confident	77.9	Confident	50 Å²	50	71.4 Å²	71.4	34%	0.338	38%	0.375	S	S	.	.	H	α-helix	trans	-68.2	-19.3	178.8	59.1	0	0	0	0	114.5	P764 R770 T782	P764-C766 PolarHBondContact O-N 3.32Å; P764-C766 VanDerWaalsContact O-N 3.13Å; C766-R770 WeakPolarHBondContact O-CD 3.39Å; C766-R770 WeakPolarHBondContact O-CG 3.17Å; C766-R770 PolarHBondContact O-NE 2.94Å; C766-T782 VanDerWaalsContact CA-O 3.28Å; C766-T782 WeakPolarHBondContact CA-O 3.35Å; C766-T782 VanDerWaalsContact CB-O 3.25Å; C766-T782 WeakPolarHBondContact CB-O 3.46Å
767	E	75.2	Confident	77.7	Confident	112 Å²	112	71.6 Å²	71.6	52%	0.523	37%	0.374	S	S	.	.	H	α-helix	trans	-101.4	-16.8	178.7	-65.9	-172.9	167.9	0	0	112.8	P764 P765 F769 R770	P764-E767 HydrophobicContact CB-CG 4.44Å; P764-E767 HydrophobicContact CG-CG 4.49Å; P764-E767 PolarHBondContact O-N 2.85Å; P765-E767 VanDerWaalsContact C-N 3.26Å; P765-E767 PolarHBondContact O-N 2.93Å; E767-F769 VanDerWaalsContact C-N 3.34Å; E767-F769 PolarHBondContact O-N 3.33Å; E767-R770 PolarHBondContact O-N 2.87Å
768	M	81.1	Confident	77.7	Confident	47 Å²	47	73.3 Å²	73.3	23%	0.232	38%	0.377	C	S	.	.	H	α-helix	trans	-51.7	-48.5	-176	-178.2	-174.9	178.2	0	0	112.7	V763 P764 P765 S771 L805 Q809	V763-M768 HydrophobicContact CG1-CB 4.34Å; P764-M768 PolarHBondContact O-N 3.19Å; P765-M768 WeakPolarHBondContact O-CB 3.44Å; P765-M768 PolarHBondContact O-N 3.19Å; M768-S771 PolarHBondContact O-OG 3.47Å; M768-L805 HydrophobicContact CE-CB 4.36Å; M768-Q809 HydrophobicContact CB-CG 4.44Å; M768-Q809 HydrophobicContact CE-CB 4.46Å; M768-Q809 HydrophobicContact CG-CG 4.39Å; M768-Q809 HydrophobicContact SD-CB 3.51Å; M768-Q809 VanDerWaalsContact SD-CB 3.51Å; M768-Q809 HydrophobicContact SD-CG 3.61Å
769	F	80	Confident	77.9	Confident	4 Å²	4	72.7 Å²	72.7	2%	0.018	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-19.3	-177.6	-64.5	-66.1	0	0	0	113.6	E767 S771 E772 Y776 F779 P785 L802 L805 F806	E767-F769 VanDerWaalsContact C-N 3.34Å; E767-F769 PolarHBondContact O-N 3.33Å; F769-S771 PolarHBondContact O-N 2.85Å; F769-E772 PolarHBondContact O-N 2.98Å; F769-E772 VanDerWaalsContact O-N 3.1Å; F769-Y776 HydrophobicContact CD1-CE2 4.04Å; F769-F779 VanDerWaalsContact C-CE1 3.48Å; F769-F779 HydrophobicContact CB-CD1 4.39Å; F769-F779 HydrophobicContact CB-CE1 3.92Å; F769-F779 WeakPolarHBondContact O-CE1 3.4Å; F769-F779 VanDerWaalsContact O-CZ 3.31Å; F769-F779 WeakPolarHBondContact O-CZ 3.48Å; F769-P785 HydrophobicContact CB-CG 4.07Å; F769-P785 HydrophobicContact CD1-CG 4.31Å; F769-P785 HydrophobicContact CD2-CG 4.31Å; F769-P785 HydrophobicContact CG-CG 3.98Å; F769-L802 HydrophobicContact CD1-CD2 4.48Å; F769-L802 HydrophobicContact CE1-CD2 3.72Å; F769-L802 HydrophobicContact CZ-CD2 4.06Å; F769-L805 HydrophobicContact CZ-CB 4.07Å; F769-F806 AromaticContact CD2-CD2 3.97Å; F769-F806 HydrophobicContact CD2-CD2 3.97Å; F769-F806 HydrophobicContact CE2-CB 4.02Å; F769-F806 AromaticContact CE2-CD2 3.82Å; F769-F806 HydrophobicContact CE2-CD2 3.82Å; F769-F806 HydrophobicContact CE2-CG 4.43Å
770	R	76.9	Confident	77.9	Confident	118 Å²	118	73 Å²	73	45%	0.445	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-23.4	-179.8	-71.6	-174.9	177.1	178.3	1.7	113.1	C766 E767 E772 F779	C766-R770 WeakPolarHBondContact O-CD 3.39Å; C766-R770 WeakPolarHBondContact O-CG 3.17Å; C766-R770 PolarHBondContact O-NE 2.94Å; E767-R770 PolarHBondContact O-N 2.87Å; R770-E772 VanDerWaalsContact C-N 3.34Å; R770-F779 HydrophobicContact CG-CD1 4.26Å; R770-F779 HydrophobicContact CG-CG 4.27Å
771	S	72.1	Confident	77.7	Confident	93 Å²	93	74.1 Å²	74.1	65%	0.65	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-12.4	175.1	61.7	0	0	0	0	114	M768 F769 T773	M768-S771 PolarHBondContact O-OG 3.47Å; F769-S771 PolarHBondContact O-N 2.85Å; S771-T773 PolarHBondContact O-N 3.41Å
772	E	77.8	Confident	77.4	Confident	55 Å²	55	77.4 Å²	77.4	26%	0.257	40%	0.398	S	S	.	.			trans	-95.2	56.6	179.7	-57.3	-163.9	162.9	0	0	111.5	F769 R770 D774 K775 Y776	F769-E772 PolarHBondContact O-N 2.98Å; F769-E772 VanDerWaalsContact O-N 3.1Å; R770-E772 VanDerWaalsContact C-N 3.34Å; E772-D774 VanDerWaalsContact C-OD1 3.29Å; E772-D774 WeakPolarHBondContact CA-OD1 3.44Å; E772-D774 PolarHBondContact O-N 3.45Å; E772-K775 HydrophobicContact CB-CB 4.43Å; E772-K775 HydrophobicContact CB-CD 4.45Å; E772-K775 PolarHBondContact O-N 3.48Å; E772-K775 IonicContact OE1-NZ 3.72Å; E772-K775 WeakPolarHBondContact OE2-CD 3.28Å; E772-K775 IonicContact OE2-NZ 2.78Å; E772-Y776 HydrophobicContact CB-CD2 4.05Å; E772-Y776 HydrophobicContact CB-CE2 4.16Å; E772-Y776 PolarHBondContact O-N 2.86Å; E772-Y776 VanDerWaalsContact O-N 3.13Å; E772-Y776 WeakPolarHBondContact OE2-CE2 3.43Å
773	T	70.4	Confident	77	Confident	111 Å²	111	71.9 Å²	71.9	68%	0.681	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.8	-177.9	54.9	0	0	0	0	113.9	S771 K775	S771-T773 PolarHBondContact O-N 3.41Å; T773-K775 VanDerWaalsContact C-N 3.34Å
774	D	73.8	Confident	77	Confident	111 Å²	111	70.3 Å²	70.3	59%	0.594	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-18.2	171.2	61.7	-42.4	0	0	0	113	E772 A789	E772-D774 VanDerWaalsContact C-OD1 3.29Å; E772-D774 WeakPolarHBondContact CA-OD1 3.44Å; E772-D774 PolarHBondContact O-N 3.45Å; D774-A789 WeakPolarHBondContact O-CB 3.42Å
775	K	73.9	Confident	77	Confident	94 Å²	94	68.7 Å²	68.7	41%	0.409	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-25.3	-174.3	-65.5	174.5	-162.8	159.2	0	114.3	E772 T773 D788 A789	E772-K775 HydrophobicContact CB-CB 4.43Å; E772-K775 HydrophobicContact CB-CD 4.45Å; E772-K775 PolarHBondContact O-N 3.48Å; E772-K775 IonicContact OE1-NZ 3.72Å; E772-K775 WeakPolarHBondContact OE2-CD 3.28Å; E772-K775 IonicContact OE2-NZ 2.78Å; T773-K775 VanDerWaalsContact C-N 3.34Å; K775-D788 CarbonylContact O-C 3.58Å; K775-A789 PolarHBondContact O-N 3.26Å
776	Y	81.7	Confident	77.1	Confident	32 Å²	32	70.4 Å²	70.4	13%	0.125	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	133.9	-177.3	-48.2	-69.5	0	0	0	111.2	F769 E772 F779 P785 H787 L794 L802	F769-Y776 HydrophobicContact CD1-CE2 4.04Å; E772-Y776 HydrophobicContact CB-CD2 4.05Å; E772-Y776 HydrophobicContact CB-CE2 4.16Å; E772-Y776 PolarHBondContact O-N 2.86Å; E772-Y776 VanDerWaalsContact O-N 3.13Å; E772-Y776 WeakPolarHBondContact OE2-CE2 3.43Å; Y776-F779 HydrophobicContact CD2-CE1 4.38Å; Y776-F779 HydrophobicContact CG-CE1 4.46Å; Y776-P785 HydrophobicContact CD1-CB 3.55Å; Y776-P785 HydrophobicContact CD1-CG 4.15Å; Y776-P785 HydrophobicContact CD2-CB 3.92Å; Y776-P785 HydrophobicContact CD2-CG 4.26Å; Y776-P785 HydrophobicContact CE1-CB 4.14Å; Y776-P785 HydrophobicContact CE1-CG 4.24Å; Y776-P785 HydrophobicContact CE2-CB 4.45Å; Y776-P785 HydrophobicContact CE2-CG 4.34Å; Y776-P785 HydrophobicContact CG-CB 3.44Å; Y776-P785 VanDerWaalsContact CG-CB 3.44Å; Y776-P785 HydrophobicContact CG-CG 4.17Å; Y776-H787 WeakPolarHBondContact CA-O 3.36Å; Y776-H787 WeakPolarHBondContact CB-O 3.34Å; Y776-L794 HydrophobicContact CD1-CD2 4.46Å; Y776-L794 HydrophobicContact CE1-CD2 4.36Å; Y776-L802 HydrophobicContact CE1-CD1 3.9Å; Y776-L802 VanDerWaalsContact OH-CD2 3.28Å; Y776-L802 WeakPolarHBondContact OH-CD2 3.35Å
777	S	77.4	Confident	77.4	Confident	55 Å²	55	69.3 Å²	69.3	39%	0.385	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-23.2	-175.8	58.2	0	0	0	0	114	H787 D788 G791	S777-H787 PolarHBondContact N-O 2.93Å; S777-D788 VanDerWaalsContact CB-O 3.28Å; S777-D788 WeakPolarHBondContact CB-O 3.2Å; S777-D788 PolarHBondContact N-O 3.4Å; S777-D788 PolarHBondContact OG-O 2.95Å; S777-G791 WeakPolarHBondContact OG-CA 3.45Å
778	R	79.6	Confident	77.6	Confident	157 Å²	157	65.6 Å²	65.6	59%	0.592	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141	145.3	-178.5	-65.9	-175.6	176.6	178.8	-1.2	112.2	T786 H787	R778-T786 PolarHBondContact O-N 3.31Å; R778-T786 PolarHBondContact O-OG1 3.33Å; R778-H787 HydrophobicContact CB-CB 4.11Å
779	F	82.7	Confident	77.5	Confident	60 Å²	60	65.6 Å²	65.6	26%	0.263	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	154.3	-177.2	-54	-91.2	0	0	0	110.5	F769 R770 Y776 F784 P785	F769-F779 VanDerWaalsContact C-CE1 3.48Å; F769-F779 HydrophobicContact CB-CD1 4.39Å; F769-F779 HydrophobicContact CB-CE1 3.92Å; F769-F779 WeakPolarHBondContact O-CE1 3.4Å; F769-F779 VanDerWaalsContact O-CZ 3.31Å; F769-F779 WeakPolarHBondContact O-CZ 3.48Å; R770-F779 HydrophobicContact CG-CD1 4.26Å; R770-F779 HydrophobicContact CG-CG 4.27Å; Y776-F779 HydrophobicContact CD2-CE1 4.38Å; Y776-F779 HydrophobicContact CG-CE1 4.46Å; F779-F784 CarbonylContact C-O 3.41Å; F779-F784 WeakPolarHBondContact CA-O 3.3Å; F779-P785 HydrophobicContact CD1-CB 3.95Å; F779-P785 HydrophobicContact CE1-CB 3.88Å
780	D	80.9	Confident	77.3	Confident	61 Å²	61	73 Å²	73	33%	0.326	38%	0.379	S	S	.	.			trans	-85.7	179.8	171.5	71.5	14.8	0	0	0	112.8	T782 G783 F784 T786	D780-T782 VanDerWaalsContact CG-OG1 3.31Å; D780-T782 PolarHBondContact O-N 2.64Å; D780-T782 VanDerWaalsContact O-N 3.16Å; D780-T782 WeakPolarHBondContact OD1-CA 3.49Å; D780-T782 WeakPolarHBondContact OD1-CB 3.4Å; D780-T782 PolarHBondContact OD1-N 2.97Å; D780-T782 PolarHBondContact OD1-OG1 3.38Å; D780-T782 PolarHBondContact OD2-OG1 3.44Å; D780-G783 PolarHBondContact O-N 2.87Å; D780-G783 PolarHBondContact OD1-N 3.42Å; D780-G783 VanDerWaalsContact OD1-N 3.07Å; D780-F784 PolarHBondContact N-O 3.45Å; D780-F784 WeakPolarHBondContact OD1-CB 3.39Å; D780-F784 PolarHBondContact OD1-N 3.02Å; D780-F784 WeakPolarHBondContact OD2-CB 3.48Å; D780-T786 HydrophobicContact CB-CG2 4.13Å
781	D	74.6	Confident	77.1	Confident	167 Å²	167	69.4 Å²	69.4	89%	0.893	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.8	-179.4	-62.6	-28.7	0	0	0	113	G783	D781-G783 VanDerWaalsContact C-N 3.34Å
782	T	72.9	Confident	77.5	Confident	77 Å²	77	72.2 Å²	72.2	47%	0.472	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-4.7	176.3	70.5	0	0	0	0	113.1	C766 D780	C766-T782 VanDerWaalsContact CA-O 3.28Å; C766-T782 WeakPolarHBondContact CA-O 3.35Å; C766-T782 VanDerWaalsContact CB-O 3.25Å; C766-T782 WeakPolarHBondContact CB-O 3.46Å; D780-T782 VanDerWaalsContact CG-OG1 3.31Å; D780-T782 PolarHBondContact O-N 2.64Å; D780-T782 VanDerWaalsContact O-N 3.16Å; D780-T782 WeakPolarHBondContact OD1-CA 3.49Å; D780-T782 WeakPolarHBondContact OD1-CB 3.4Å; D780-T782 PolarHBondContact OD1-N 2.97Å; D780-T782 PolarHBondContact OD1-OG1 3.38Å; D780-T782 PolarHBondContact OD2-OG1 3.44Å
783	G	70.6	Confident	77.7	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	40%	0.4	C	S	.	.	S	Bend	trans	84.1	13.8	-177.2	0	0	0	0	0	114.1	D780 D781	D780-G783 PolarHBondContact O-N 2.87Å; D780-G783 PolarHBondContact OD1-N 3.42Å; D780-G783 VanDerWaalsContact OD1-N 3.07Å; D781-G783 VanDerWaalsContact C-N 3.34Å
784	F	80.4	Confident	78.2	Confident	23 Å²	23	72.7 Å²	72.7	10%	0.101	37%	0.374	C	S	.	.			trans	-84.1	134	178.5	-171.2	-95.2	0	0	0	111	F779 D780 L802 R803 F806	F779-F784 CarbonylContact C-O 3.41Å; F779-F784 WeakPolarHBondContact CA-O 3.3Å; D780-F784 PolarHBondContact N-O 3.45Å; D780-F784 WeakPolarHBondContact OD1-CB 3.39Å; D780-F784 PolarHBondContact OD1-N 3.02Å; D780-F784 WeakPolarHBondContact OD2-CB 3.48Å; F784-L802 HydrophobicContact CE2-CB 3.96Å; F784-L802 HydrophobicContact CZ-CB 3.77Å; F784-R803 HydrophobicContact CE2-CB 4.09Å; F784-R803 HydrophobicContact CE2-CG 4.37Å; F784-R803 HydrophobicContact CZ-CB 4.08Å; F784-F806 HydrophobicContact CD2-CB 4.13Å; F784-F806 AromaticContact CD2-CD2 3.96Å; F784-F806 HydrophobicContact CD2-CD2 3.96Å; F784-F806 HydrophobicContact CD2-CG 4.09Å; F784-F806 HydrophobicContact CE2-CB 4.19Å
785	P	81.3	Confident	78.6	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	134.2	-178.8	28.3	-33.7	0	0	0	110.6	F769 Y776 F779 L794 L802	F769-P785 HydrophobicContact CB-CG 4.07Å; F769-P785 HydrophobicContact CD1-CG 4.31Å; F769-P785 HydrophobicContact CD2-CG 4.31Å; F769-P785 HydrophobicContact CG-CG 3.98Å; Y776-P785 HydrophobicContact CD1-CB 3.55Å; Y776-P785 HydrophobicContact CD1-CG 4.15Å; Y776-P785 HydrophobicContact CD2-CB 3.92Å; Y776-P785 HydrophobicContact CD2-CG 4.26Å; Y776-P785 HydrophobicContact CE1-CB 4.14Å; Y776-P785 HydrophobicContact CE1-CG 4.24Å; Y776-P785 HydrophobicContact CE2-CB 4.45Å; Y776-P785 HydrophobicContact CE2-CG 4.34Å; Y776-P785 HydrophobicContact CG-CB 3.44Å; Y776-P785 VanDerWaalsContact CG-CB 3.44Å; Y776-P785 HydrophobicContact CG-CG 4.17Å; F779-P785 HydrophobicContact CD1-CB 3.95Å; F779-P785 HydrophobicContact CE1-CB 3.88Å; P785-L794 HydrophobicContact CB-CD1 4.19Å; P785-L794 HydrophobicContact CG-CD1 4.39Å; P785-L794 WeakPolarHBondContact O-CD1 3.27Å; P785-L802 HydrophobicContact CG-CD1 4.03Å
786	T	79.6	Confident	78.8	Confident	51 Å²	51	75 Å²	75	31%	0.313	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-25.2	179.1	55.2	0	0	0	0	112.5	R778 D780 L794	R778-T786 PolarHBondContact O-N 3.31Å; R778-T786 PolarHBondContact O-OG1 3.33Å; D780-T786 HydrophobicContact CB-CG2 4.13Å; T786-L794 PolarHBondContact O-N 3.48Å
787	H	82.5	Confident	78.7	Confident	27 Å²	27	76.1 Å²	76.1	13%	0.125	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.9	-177.9	-62	65.7	0	0	0	111.5	Y776 S777 R778 G791 K792 E793	Y776-H787 WeakPolarHBondContact CA-O 3.36Å; Y776-H787 WeakPolarHBondContact CB-O 3.34Å; S777-H787 PolarHBondContact N-O 2.93Å; R778-H787 HydrophobicContact CB-CB 4.11Å; H787-G791 PolarHBondContact CD2-O 3.2Å; H787-K792 CarbonylContact C-O 3.59Å; H787-K792 WeakPolarHBondContact CA-O 3.45Å; H787-K792 WeakPolarHBondContact CB-O 3.23Å; H787-E793 WeakPolarHBondContact NE2-CG 3.36Å
788	D	79.7	Confident	78.7	Confident	34 Å²	34	78.3 Å²	78.3	18%	0.182	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-178.9	173	60.7	20	0	0	0	112.6	K775 S777 E790 G791 K792 L794	K775-D788 CarbonylContact O-C 3.58Å; S777-D788 VanDerWaalsContact CB-O 3.28Å; S777-D788 WeakPolarHBondContact CB-O 3.2Å; S777-D788 PolarHBondContact N-O 3.4Å; S777-D788 PolarHBondContact OG-O 2.95Å; D788-E790 PolarHBondContact O-N 3.44Å; D788-E790 PolarHBondContact OD1-N 3.3Å; D788-G791 PolarHBondContact O-N 3.03Å; D788-G791 VanDerWaalsContact O-N 3.14Å; D788-G791 PolarHBondContact OD1-N 2.93Å; D788-G791 VanDerWaalsContact OD1-N 3.14Å; D788-K792 PolarHBondContact N-O 3.5Å; D788-K792 WeakPolarHBondContact OD1-CA 3.24Å; D788-K792 WeakPolarHBondContact OD1-CB 3.26Å; D788-K792 PolarHBondContact OD1-N 3.29Å; D788-L794 HydrophobicContact CB-CD2 4.18Å
789	A	78.3	Confident	78.7	Confident	47 Å²	47	72.2 Å²	72.2	39%	0.388	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-28.9	-177.6	0	0	0	0	0	112.6	D774 K775 G791	D774-A789 WeakPolarHBondContact O-CB 3.42Å; K775-A789 PolarHBondContact O-N 3.26Å; A789-G791 VanDerWaalsContact C-N 3.34Å
790	E	75.6	Confident	78.6	Confident	161 Å²	161	76.4 Å²	76.4	75%	0.752	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-1.1	179.6	-61.1	76.8	-166.5	0	0	113.5	D788	D788-E790 PolarHBondContact O-N 3.44Å; D788-E790 PolarHBondContact OD1-N 3.3Å
791	G	72.5	Confident	78.7	Confident	41 Å²	41	80.9 Å²	80.9	42%	0.423	43%	0.429	S	S	.	.	S	Bend	trans	84.8	20.3	176	0	0	0	0	0	114.5	S777 H787 D788 A789	S777-G791 WeakPolarHBondContact OG-CA 3.45Å; H787-G791 PolarHBondContact CD2-O 3.2Å; D788-G791 PolarHBondContact O-N 3.03Å; D788-G791 VanDerWaalsContact O-N 3.14Å; D788-G791 PolarHBondContact OD1-N 2.93Å; D788-G791 VanDerWaalsContact OD1-N 3.14Å; A789-G791 VanDerWaalsContact C-N 3.34Å
792	K	80.4	Confident	79	Confident	153 Å²	153	73.7 Å²	73.7	67%	0.665	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-99.9	143.6	176.7	-170.3	177.1	177.4	177.6	0	111.1	H787 D788 L794	H787-K792 CarbonylContact C-O 3.59Å; H787-K792 WeakPolarHBondContact CA-O 3.45Å; H787-K792 WeakPolarHBondContact CB-O 3.23Å; D788-K792 PolarHBondContact N-O 3.5Å; D788-K792 WeakPolarHBondContact OD1-CA 3.24Å; D788-K792 WeakPolarHBondContact OD1-CB 3.26Å; D788-K792 PolarHBondContact OD1-N 3.29Å; K792-L794 PolarHBondContact O-N 3.37Å
793	E	82.4	Confident	79.5	Confident	150 Å²	150	77.6 Å²	77.6	70%	0.701	40%	0.396	S	S	*	.	B	Isolated β-bridge	trans	-59.7	135.4	178	-76.4	-172.1	163.5	0	0	112	H787	H787-E793 WeakPolarHBondContact NE2-CG 3.36Å
794	L	81.9	Confident	80.1	Confident	26 Å²	26	84.2 Å²	84.2	14%	0.136	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-64	137	179	-67.4	170.7	0	0	0	111.4	Y776 P785 T786 D788 K792 L802	Y776-L794 HydrophobicContact CD1-CD2 4.46Å; Y776-L794 HydrophobicContact CE1-CD2 4.36Å; P785-L794 HydrophobicContact CB-CD1 4.19Å; P785-L794 HydrophobicContact CG-CD1 4.39Å; P785-L794 WeakPolarHBondContact O-CD1 3.27Å; T786-L794 PolarHBondContact O-N 3.48Å; D788-L794 HydrophobicContact CB-CD2 4.18Å; K792-L794 PolarHBondContact O-N 3.37Å; L794-L802 HydrophobicContact CD1-CD1 3.84Å
795	S	82.2	Confident	80.2	Confident	58 Å²	58	87.1 Å²	87.1	41%	0.406	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-64.2	152.5	176.4	70.9	0	0	0	0	112	G797 Q798 A799	S795-G797 PolarHBondContact O-N 3.37Å; S795-Q798 PolarHBondContact O-N 3.42Å; S795-Q798 WeakPolarHBondContact OG-CG 3.14Å; S795-Q798 PolarHBondContact OG-N 3.02Å; S795-Q798 PolarHBondContact OG-OE1 3.17Å; S795-A799 PolarHBondContact O-N 2.62Å
796	K	77.6	Confident	80.2	Confident	196 Å²	196	88.3 Å²	88.3	85%	0.852	45%	0.446	S	S	*	.	H	α-helix	trans	-52.8	-32.7	177.5	-69.1	-174.2	179.5	179.9	0	113.3	K800	K796-K800 WeakPolarHBondContact O-CB 3.12Å; K796-K800 PolarHBondContact O-N 3.02Å
797	G	78.6	Confident	80.4	Confident	55 Å²	55	90.8 Å²	90.8	57%	0.567	45%	0.454	S	S	*	.	H	α-helix	trans	-71.8	-43.2	176.5	0	0	0	0	0	113.4	S795 K801	S795-G797 PolarHBondContact O-N 3.37Å; G797-K801 PolarHBondContact O-N 3.24Å
798	Q	77.9	Confident	80.3	Confident	101 Å²	101	91.9 Å²	91.9	47%	0.472	47%	0.468	S	S	.	.	H	α-helix	trans	-68.3	-44.8	177	-73.5	163.6	-50.4	0	0	111.4	S795 K800 K801 L802	S795-Q798 PolarHBondContact O-N 3.42Å; S795-Q798 WeakPolarHBondContact OG-CG 3.14Å; S795-Q798 PolarHBondContact OG-N 3.02Å; S795-Q798 PolarHBondContact OG-OE1 3.17Å; Q798-K800 VanDerWaalsContact C-N 3.31Å; Q798-K800 PolarHBondContact O-N 3.35Å; Q798-K801 PolarHBondContact O-N 3.4Å; Q798-K801 VanDerWaalsContact O-N 3.1Å; Q798-L802 WeakPolarHBondContact O-CG 3.33Å; Q798-L802 PolarHBondContact O-N 2.95Å
799	A	79.4	Confident	80.5	Confident	29 Å²	29	91 Å²	91	24%	0.24	46%	0.463	C	S	.	.	H	α-helix	trans	-58.1	-42.2	175.8	0	0	0	0	0	111.7	S795 K801 L802 R803	S795-A799 PolarHBondContact O-N 2.62Å; A799-K801 VanDerWaalsContact C-N 3.33Å; A799-K801 PolarHBondContact O-N 2.88Å; A799-L802 PolarHBondContact O-N 2.99Å; A799-R803 VanDerWaalsContact O-CB 3.29Å; A799-R803 WeakPolarHBondContact O-CB 3.49Å; A799-R803 PolarHBondContact O-N 3.44Å
800	K	80.9	Confident	80.6	Confident	147 Å²	147	93.5 Å²	93.5	64%	0.639	47%	0.466	S	S	*	.	H	α-helix	trans	-63.9	-35.6	176.4	-170.7	175.8	-175.7	176.9	0	113	K796 Q798 K804	K796-K800 WeakPolarHBondContact O-CB 3.12Å; K796-K800 PolarHBondContact O-N 3.02Å; Q798-K800 VanDerWaalsContact C-N 3.31Å; Q798-K800 PolarHBondContact O-N 3.35Å; K800-K804 PolarHBondContact O-N 3.42Å
801	K	82.4	Confident	80.9	Confident	155 Å²	155	92.7 Å²	92.7	67%	0.674	46%	0.46	S	S	*	.	H	α-helix	trans	-71.1	-43.2	177.3	-169.7	179.6	179.5	-175.9	0	111.4	G797 Q798 A799 K804 L805	G797-K801 PolarHBondContact O-N 3.24Å; Q798-K801 PolarHBondContact O-N 3.4Å; Q798-K801 VanDerWaalsContact O-N 3.1Å; A799-K801 VanDerWaalsContact C-N 3.33Å; A799-K801 PolarHBondContact O-N 2.88Å; K801-K804 PolarHBondContact O-N 2.98Å; K801-L805 PolarHBondContact O-N 3.23Å
802	L	82.3	Confident	81.4	Confident	16 Å²	16	93.4 Å²	93.4	8%	0.084	45%	0.454	C	S	.	.	H	α-helix	trans	-67.6	-36.1	176.9	-67.7	167.6	0	0	0	111.8	F769 Y776 F784 P785 L794 Q798 A799 K804 L805 F806	F769-L802 HydrophobicContact CD1-CD2 4.48Å; F769-L802 HydrophobicContact CE1-CD2 3.72Å; F769-L802 HydrophobicContact CZ-CD2 4.06Å; Y776-L802 HydrophobicContact CE1-CD1 3.9Å; Y776-L802 VanDerWaalsContact OH-CD2 3.28Å; Y776-L802 WeakPolarHBondContact OH-CD2 3.35Å; F784-L802 HydrophobicContact CE2-CB 3.96Å; F784-L802 HydrophobicContact CZ-CB 3.77Å; P785-L802 HydrophobicContact CG-CD1 4.03Å; L794-L802 HydrophobicContact CD1-CD1 3.84Å; Q798-L802 WeakPolarHBondContact O-CG 3.33Å; Q798-L802 PolarHBondContact O-N 2.95Å; A799-L802 PolarHBondContact O-N 2.99Å; L802-K804 PolarHBondContact O-N 3.45Å; L802-L805 HydrophobicContact CD2-CD1 4.36Å; L802-L805 WeakPolarHBondContact O-CB 3.45Å; L802-L805 PolarHBondContact O-N 2.92Å; L802-L805 VanDerWaalsContact O-N 3.08Å; L802-F806 PolarHBondContact O-N 3.46Å
803	R	82.3	Confident	81.5	Confident	160 Å²	160	87.4 Å²	87.4	60%	0.604	43%	0.428	S	S	*	.	H	α-helix	trans	-63.9	-40.6	176.4	-153.9	168.8	-157.6	167	6.3	112.6	F784 A799 L805 F806 E807	F784-R803 HydrophobicContact CE2-CB 4.09Å; F784-R803 HydrophobicContact CE2-CG 4.37Å; F784-R803 HydrophobicContact CZ-CB 4.08Å; A799-R803 VanDerWaalsContact O-CB 3.29Å; A799-R803 WeakPolarHBondContact O-CB 3.49Å; A799-R803 PolarHBondContact O-N 3.44Å; R803-L805 VanDerWaalsContact C-N 3.28Å; R803-L805 PolarHBondContact O-N 3.38Å; R803-F806 WeakPolarHBondContact O-CB 3.27Å; R803-F806 PolarHBondContact O-N 2.9Å; R803-E807 WeakPolarHBondContact O-CB 3.31Å; R803-E807 WeakPolarHBondContact O-CG 3.4Å; R803-E807 PolarHBondContact O-N 3.35Å
804	K	83	Confident	81.4	Confident	139 Å²	139	82.7 Å²	82.7	60%	0.604	41%	0.412	S	S	*	.	H	α-helix	trans	-60.8	-35.9	171	-77.5	-173.7	173.3	-169.1	0	113.1	K800 K801 L802 A808	K800-K804 PolarHBondContact O-N 3.42Å; K801-K804 PolarHBondContact O-N 2.98Å; L802-K804 PolarHBondContact O-N 3.45Å; K804-A808 VanDerWaalsContact O-CB 3.27Å; K804-A808 WeakPolarHBondContact O-CB 3.3Å; K804-A808 PolarHBondContact O-N 3.3Å; K804-A808 VanDerWaalsContact O-N 3.08Å
805	L	82.8	Confident	81.3	Confident	83 Å²	83	84.7 Å²	84.7	44%	0.435	42%	0.421	S	S	.	.	H	α-helix	trans	-71.4	-40.1	176.4	-70.7	170.2	0	0	0	111.4	M768 F769 K801 L802 R803 A808 Q809	M768-L805 HydrophobicContact CE-CB 4.36Å; F769-L805 HydrophobicContact CZ-CB 4.07Å; K801-L805 PolarHBondContact O-N 3.23Å; L802-L805 HydrophobicContact CD2-CD1 4.36Å; L802-L805 WeakPolarHBondContact O-CB 3.45Å; L802-L805 PolarHBondContact O-N 2.92Å; L802-L805 VanDerWaalsContact O-N 3.08Å; R803-L805 VanDerWaalsContact C-N 3.28Å; R803-L805 PolarHBondContact O-N 3.38Å; L805-A808 PolarHBondContact O-N 3.47Å; L805-Q809 WeakPolarHBondContact O-CB 3.35Å; L805-Q809 PolarHBondContact O-N 3.01Å
806	F	82.9	Confident	81.3	Confident	26 Å²	26	83.9 Å²	83.9	11%	0.114	41%	0.409	C	S	.	.	H	α-helix	trans	-61.6	-49.5	174.9	-166.2	-88.6	0	0	0	111.6	P765 F769 F784 L802 R803 A808 Q809 E810	P765-F806 HydrophobicContact CB-CD1 4.47Å; P765-F806 HydrophobicContact CB-CD2 4.38Å; P765-F806 HydrophobicContact CB-CE1 4Å; P765-F806 HydrophobicContact CB-CE2 3.92Å; P765-F806 HydrophobicContact CB-CZ 3.71Å; P765-F806 WeakPolarHBondContact O-CE2 3.41Å; F769-F806 AromaticContact CD2-CD2 3.97Å; F769-F806 HydrophobicContact CD2-CD2 3.97Å; F769-F806 HydrophobicContact CE2-CB 4.02Å; F769-F806 AromaticContact CE2-CD2 3.82Å; F769-F806 HydrophobicContact CE2-CD2 3.82Å; F769-F806 HydrophobicContact CE2-CG 4.43Å; F784-F806 HydrophobicContact CD2-CB 4.13Å; F784-F806 AromaticContact CD2-CD2 3.96Å; F784-F806 HydrophobicContact CD2-CD2 3.96Å; F784-F806 HydrophobicContact CD2-CG 4.09Å; F784-F806 HydrophobicContact CE2-CB 4.19Å; L802-F806 PolarHBondContact O-N 3.46Å; R803-F806 WeakPolarHBondContact O-CB 3.27Å; R803-F806 PolarHBondContact O-N 2.9Å; F806-A808 VanDerWaalsContact C-N 3.33Å; F806-A808 PolarHBondContact O-N 3.46Å; F806-Q809 PolarHBondContact O-N 3.02Å; F806-E810 WeakPolarHBondContact O-CB 3.38Å; F806-E810 PolarHBondContact O-N 3.12Å
807	E	81.9	Confident	81.3	Confident	103 Å²	103	79.2 Å²	79.2	48%	0.481	39%	0.393	S	S	.	.	H	α-helix	trans	-62	-38.4	176.9	-71.4	166.2	-170.9	0	0	112.1	R803 E810 K811	R803-E807 WeakPolarHBondContact O-CB 3.31Å; R803-E807 WeakPolarHBondContact O-CG 3.4Å; R803-E807 PolarHBondContact O-N 3.35Å; E807-E810 PolarHBondContact O-N 3.02Å; E807-K811 PolarHBondContact O-N 3.41Å; E807-K811 VanDerWaalsContact O-N 3.08Å
808	A	81.8	Confident	81.3	Confident	49 Å²	49	84 Å²	84	41%	0.405	40%	0.401	S	S	.	.	H	α-helix	trans	-65.6	-40.3	175.2	0	0	0	0	0	111.9	K804 L805 F806 L812	K804-A808 VanDerWaalsContact O-CB 3.27Å; K804-A808 WeakPolarHBondContact O-CB 3.3Å; K804-A808 PolarHBondContact O-N 3.3Å; K804-A808 VanDerWaalsContact O-N 3.08Å; L805-A808 PolarHBondContact O-N 3.47Å; F806-A808 VanDerWaalsContact C-N 3.33Å; F806-A808 PolarHBondContact O-N 3.46Å; A808-L812 WeakPolarHBondContact O-CG 3.29Å; A808-L812 PolarHBondContact O-N 2.96Å; A808-L812 VanDerWaalsContact O-N 3.09Å
809	Q	83.3	Confident	81.1	Confident	17 Å²	17	85.8 Å²	85.8	8%	0.079	41%	0.411	C	S	.	.	H	α-helix	trans	-69.4	-37.2	175.9	-176.2	63.1	18.6	0	0	112	K760 V763 P765 M768 L805 F806 K811 L812 H813	K760-Q809 PolarHBondContact O-NE2 3.17Å; V763-Q809 PolarHBondContact O-NE2 3.1Å; P765-Q809 HydrophobicContact CG-CG 4.44Å; M768-Q809 HydrophobicContact CB-CG 4.44Å; M768-Q809 HydrophobicContact CE-CB 4.46Å; M768-Q809 HydrophobicContact CG-CG 4.39Å; M768-Q809 HydrophobicContact SD-CB 3.51Å; M768-Q809 VanDerWaalsContact SD-CB 3.51Å; M768-Q809 HydrophobicContact SD-CG 3.61Å; L805-Q809 WeakPolarHBondContact O-CB 3.35Å; L805-Q809 PolarHBondContact O-N 3.01Å; F806-Q809 PolarHBondContact O-N 3.02Å; Q809-K811 VanDerWaalsContact C-N 3.33Å; Q809-K811 PolarHBondContact O-N 3.09Å; Q809-L812 PolarHBondContact O-N 3.19Å; Q809-H813 WeakPolarHBondContact O-CB 3.45Å; Q809-H813 PolarHBondContact O-N 3.38Å
810	E	81.2	Confident	80.6	Confident	99 Å²	99	89.4 Å²	89.4	46%	0.463	43%	0.426	S	S	.	.	H	α-helix	trans	-61.4	-41.6	175.3	-172.8	176.7	-151.5	0	0	111.8	P765 F806 E807 S814	P765-E810 HydrophobicContact CB-CB 4.41Å; P765-E810 VanDerWaalsContact CG-CA 3.46Å; P765-E810 HydrophobicContact CG-CB 3.88Å; P765-E810 HydrophobicContact CG-CG 4.27Å; F806-E810 WeakPolarHBondContact O-CB 3.38Å; F806-E810 PolarHBondContact O-N 3.12Å; E807-E810 PolarHBondContact O-N 3.02Å; E810-S814 WeakPolarHBondContact O-CB 3.46Å; E810-S814 PolarHBondContact O-N 3.07Å; E810-S814 PolarHBondContact O-OG 2.88Å
811	K	82.1	Confident	79.6	Confident	143 Å²	143	85.2 Å²	85.2	62%	0.622	43%	0.425	S	S	*	.	H	α-helix	trans	-63.4	-46.8	172.1	-170.4	-179.1	177.5	-175.7	0	111.9	E807 Q809 H813 S814 E815	E807-K811 PolarHBondContact O-N 3.41Å; E807-K811 VanDerWaalsContact O-N 3.08Å; Q809-K811 VanDerWaalsContact C-N 3.33Å; Q809-K811 PolarHBondContact O-N 3.09Å; K811-H813 PolarHBondContact O-N 2.91Å; K811-S814 PolarHBondContact O-N 3.17Å; K811-E815 WeakPolarHBondContact CE-OE1 3.33Å; K811-E815 WeakPolarHBondContact O-CG 3.45Å; K811-E815 PolarHBondContact O-N 3.02Å
812	L	82.1	Confident	77.8	Confident	56 Å²	56	88.7 Å²	88.7	29%	0.293	45%	0.451	S	S	.	.	H	α-helix	trans	-63.1	-40.9	179.4	-77.8	170.3	0	0	0	113.1	M761 A808 Q809 Y816	M761-L812 VanDerWaalsContact CE-O 3.26Å; M761-L812 WeakPolarHBondContact CE-O 3.32Å; M761-L812 HydrophobicContact CG-CB 4.17Å; M761-L812 HydrophobicContact CG-CD2 4.19Å; A808-L812 WeakPolarHBondContact O-CG 3.29Å; A808-L812 PolarHBondContact O-N 2.96Å; A808-L812 VanDerWaalsContact O-N 3.09Å; Q809-L812 PolarHBondContact O-N 3.19Å; L812-Y816 PolarHBondContact O-N 3.42Å; L812-Y816 VanDerWaalsContact O-N 3.15Å
813	H	82.3	Confident	77.6	Confident	27 Å²	27	92.4 Å²	92.4	13%	0.125	47%	0.469	C	S	.	.	H	α-helix	trans	-72.1	-37.5	178.3	-170.2	66.2	0	0	0	111.5	M761 K762 V763 P765 Q809 K811 Y816 L817	M761-H813 WeakPolarHBondContact O-CA 3.14Å; M761-H813 PolarHBondContact O-ND1 2.91Å; K762-H813 PolarHBondContact O-CE1 3.38Å; V763-H813 PolarHBondContact O-ND1 3.05Å; P765-H813 HydrophobicContact CG-CB 4.27Å; Q809-H813 WeakPolarHBondContact O-CB 3.45Å; Q809-H813 PolarHBondContact O-N 3.38Å; K811-H813 PolarHBondContact O-N 2.91Å; H813-Y816 WeakPolarHBondContact O-CB 3.49Å; H813-Y816 PolarHBondContact O-N 3.44Å; H813-Y816 VanDerWaalsContact O-N 3.14Å; H813-L817 WeakPolarHBondContact O-CG 3.48Å; H813-L817 PolarHBondContact O-N 3.37Å
814	S	79.8	Confident	77.4	Confident	52 Å²	52	88.8 Å²	88.8	36%	0.364	46%	0.462	S	S	.	.	H	α-helix	trans	-63.7	-40.2	173.9	-61.9	0	0	0	0	111.9	E810 K811 Y816 L817 Q818	E810-S814 WeakPolarHBondContact O-CB 3.46Å; E810-S814 PolarHBondContact O-N 3.07Å; E810-S814 PolarHBondContact O-OG 2.88Å; K811-S814 PolarHBondContact O-N 3.17Å; S814-Y816 VanDerWaalsContact C-N 3.31Å; S814-Y816 PolarHBondContact O-N 3.21Å; S814-L817 PolarHBondContact O-N 3.46Å; S814-Q818 WeakPolarHBondContact O-CG 3.39Å; S814-Q818 PolarHBondContact O-N 2.81Å
815	E	80.5	Confident	77.1	Confident	67 Å²	67	86 Å²	86	31%	0.313	45%	0.454	S	S	.	.	H	α-helix	trans	-60.8	-38.1	171	-75.2	172.8	-165.5	0	0	111.7	M761 K811 Q818 M819	M761-E815 HydrophobicContact CE-CB 3.78Å; K811-E815 WeakPolarHBondContact CE-OE1 3.33Å; K811-E815 WeakPolarHBondContact O-CG 3.45Å; K811-E815 PolarHBondContact O-N 3.02Å; E815-Q818 PolarHBondContact O-N 3.06Å; E815-M819 VanDerWaalsContact O-CG 3.3Å; E815-M819 WeakPolarHBondContact O-CG 3.02Å; E815-M819 PolarHBondContact O-N 2.99Å
816	Y	81.6	Confident	76.7	Confident	41 Å²	41	86.2 Å²	86.2	16%	0.161	46%	0.455	C	S	.	.	H	α-helix	trans	-67.3	-43.2	174.1	171	-98.8	0	0	0	113.2	L758 M761 K762 L812 H813 S814 Q818 M819 N820	L758-Y816 HydrophobicContact CD2-CD2 4.36Å; L758-Y816 HydrophobicContact CD2-CE2 4.34Å; M761-Y816 HydrophobicContact CB-CG 4.4Å; K762-Y816 HydrophobicContact CD-CE2 4.43Å; K762-Y816 WeakPolarHBondContact CE-OH 3.36Å; K762-Y816 HydrophobicContact CG-CD2 4.27Å; K762-Y816 HydrophobicContact CG-CE1 4.02Å; K762-Y816 HydrophobicContact CG-CE2 3.59Å; K762-Y816 VanDerWaalsContact CG-CZ 3.45Å; L812-Y816 PolarHBondContact O-N 3.42Å; L812-Y816 VanDerWaalsContact O-N 3.15Å; H813-Y816 WeakPolarHBondContact O-CB 3.49Å; H813-Y816 PolarHBondContact O-N 3.44Å; H813-Y816 VanDerWaalsContact O-N 3.14Å; S814-Y816 VanDerWaalsContact C-N 3.31Å; S814-Y816 PolarHBondContact O-N 3.21Å; Y816-Q818 VanDerWaalsContact C-N 3.28Å; Y816-Q818 PolarHBondContact O-N 3.01Å; Y816-M819 PolarHBondContact O-N 3.1Å; Y816-M819 VanDerWaalsContact O-N 3.17Å; Y816-N820 VanDerWaalsContact CE2-ND2 3.25Å; Y816-N820 WeakPolarHBondContact CE2-ND2 3.37Å; Y816-N820 PolarHBondContact O-N 3.36Å; Y816-N820 PolarHBondContact OH-ND2 3.28Å
817	L	79.3	Confident	76.3	Confident	98 Å²	98	89.9 Å²	89.9	51%	0.513	48%	0.477	S	S	.	.	H	α-helix	trans	-63	-35.9	176	-70.6	173	0	0	0	111.7	H813 S814 G821	H813-L817 WeakPolarHBondContact O-CG 3.48Å; H813-L817 PolarHBondContact O-N 3.37Å; S814-L817 PolarHBondContact O-N 3.46Å; L817-G821 WeakPolarHBondContact O-CA 3.23Å; L817-G821 PolarHBondContact O-N 3.43Å
818	Q	78.3	Confident	76	Confident	157 Å²	157	89.1 Å²	89.1	73%	0.734	48%	0.476	S	S	*	.	H	α-helix	trans	-69.2	-35.9	172.7	-73.2	177.7	4.8	0	0	112.8	S814 E815 Y816	S814-Q818 WeakPolarHBondContact O-CG 3.39Å; S814-Q818 PolarHBondContact O-N 2.81Å; E815-Q818 PolarHBondContact O-N 3.06Å; Y816-Q818 VanDerWaalsContact C-N 3.28Å; Y816-Q818 PolarHBondContact O-N 3.01Å
819	M	73.9	Confident	75.6	Confident	138 Å²	138	91.9 Å²	91.9	68%	0.68	48%	0.481	S	S	*	.	H	α-helix	trans	-70.6	-31	176.9	-76.5	180	174.6	0	0	113.6	M761 E815 Y816	M761-M819 HydrophobicContact CE-SD 4.41Å; E815-M819 VanDerWaalsContact O-CG 3.3Å; E815-M819 WeakPolarHBondContact O-CG 3.02Å; E815-M819 PolarHBondContact O-N 2.99Å; Y816-M819 PolarHBondContact O-N 3.1Å; Y816-M819 VanDerWaalsContact O-N 3.17Å
820	N	67.4	Low	75	Confident	104 Å²	104	97.7 Å²	97.7	56%	0.556	51%	0.512	S	S	*	.	H	α-helix	trans	-102.7	0.1	-179.2	-80.4	7.3	0	0	0	114.1	Y816	Y816-N820 VanDerWaalsContact CE2-ND2 3.25Å; Y816-N820 WeakPolarHBondContact CE2-ND2 3.37Å; Y816-N820 PolarHBondContact O-N 3.36Å; Y816-N820 PolarHBondContact OH-ND2 3.28Å
821	G	60.5	Low	74.4	Confident	60 Å²	60	97.6 Å²	97.6	62%	0.619	52%	0.516	S	S	*	.			trans	-96.2	22.7	-175.2	0	0	0	0	0	115.3	L817	L817-G821 WeakPolarHBondContact O-CA 3.23Å; L817-G821 PolarHBondContact O-N 3.43Å
822	N	45.8	Very low	73.8	Confident	228 Å²	228	93.5 Å²	93.5	100%	1.219	51%	0.507	S	S	*	.			trans	-129.4	0	169.8	-107.4	-3.3	0	0	0	110.4

Retrieved 822 of 822 residues in 1021.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).