A0A077Z710_TRITR Loading...

WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z710, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 956 aa.

						>A0A077Z710_TRITR|A0A077Z710
MIHTHNLNKIRKVSQYKYTTFNEAALLSLDDLSESLKKLYFDLAVFPLGVRISPEVLTVYWEMSKYEVEDILSEFVKRALLIRRDDGDDAGIVEAYYIHTLLHRVVKMNFEAEQRQKLHQRFLAGYLTRADGQWHNLADHVYIHTFVGYHLFRSGNLVALADVYLNLGFLSKKISLCGPSTVLHDFVVYGQFVRDAHPALFDQMQELLQRYCYHLAINNGRHLNFIQRALLQPRDSELFKLALGYTESKNDGTSWRTCATYLRSCAAYKSPRYMFSCKSAKASIWLSDQKILLYLGYDSTLRVCCTSTGLQLYRCALNRMPTSICFSRSENKLLVSYDGCVAVFEIHVSLGRRFQLGSSSDVVESQRTPSPLFNCLGEAFAWRCDLNDDSLDNTADPLLSIIGEFQVCDAHISSIVTCCTFDRNGNVAACCSSDCSILLCDLVTGKVLHKLLGHRSPVTKCSFDADDSRLISADQSGILLLWRLSDYQSTRLPALHLRPILFCNFMPITCQQDCVVAISDSLLAVYDLTDGMSWKTWQPDGLTITCADLSPSGCVSALALSDCSITMLKMDDMDMCKSSLTTQYRPFIELHFSTCGADLLALRNDGAVLIFENVEAEEHPAQPIKLLDIVETDNGILLASVDGFGILSVQRIRSNESTATAHIQPDACYLHWSANGRYLCIAHSDGQVKLWTFENSQLILFAQCFVDLPGLLCTAFTPDSLKLLLASRHGQLRIIDLDGQIDDSPFKISLSVEVNKVVCFGEQEKQAVLIGCGEGSLIVWNLHKKEPILRLLAHKKKIIDCDIDHQCRWIASASDDLTVKVWELEEAKMLFEYYESATVPQCCKISPDYPDGNLLAVGDDRGVVCLISLSSGSILHKIFAHLTPVHGLAFCQSYTLVTLSSEVKWYCLSSRRLRLFAEESANRIFLYENHGICLIADKYNNYHVMELPDWKTAVSS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28	Very low	41.6	Very low	190 Å²	190	121.5 Å²	121.5	94%	0.936	58%	0.575	S	S	*	*				0	30.2	0	-138.9	-162.5	-64.7	0	0	115.3	D388	M1-D388 PolarHBondContact N-OD2 2.89Å
2	I	30.3	Very low	42	Very low	102 Å²	102	127.3 Å²	127.3	52%	0.523	60%	0.597	S	S	.	*			trans	-137.4	91.6	153.5	-60.1	179.3	0	0	0	106.5	T4	I2-T4 PolarHBondContact O-N 2.91Å
3	H	33.2	Very low	42.9	Very low	117 Å²	117	128.8 Å²	128.8	54%	0.542	62%	0.619	S	S	.	*			trans	-54	122.1	172.6	-83.1	-59.5	0	0	0	110.1	H5 N6 D389	H3-H5 PolarHBondContact O-N 3.42Å; H3-N6 WeakPolarHBondContact O-CB 3.4Å; H3-N6 PolarHBondContact O-N 2.95Å; H3-D389 IonicContact CE1-OD2 3.7Å
4	T	41.7	Very low	43.9	Very low	31 Å²	31	125.9 Å²	125.9	19%	0.19	62%	0.619	C	S	.	*	G	3₁₀ helix	trans	-64.8	-12.1	-176.1	64.4	0	0	0	0	114.6	I2 N6 D388 D389 S390	I2-T4 PolarHBondContact O-N 2.91Å; T4-N6 PolarHBondContact O-N 3.34Å; T4-D388 WeakPolarHBondContact CG2-O 3.39Å; T4-D389 WeakPolarHBondContact CB-O 3.45Å; T4-D389 PolarHBondContact OG1-O 3.2Å; T4-S390 WeakPolarHBondContact OG1-CB 3.36Å; T4-S390 PolarHBondContact OG1-OG 3.15Å
5	H	43.2	Very low	45.4	Very low	168 Å²	168	131.3 Å²	131.3	78%	0.778	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-76.8	-1.7	167.1	-79.1	-58.9	0	0	0	114.6	H3	H3-H5 PolarHBondContact O-N 3.42Å
6	N	44.9	Very low	46.8	Very low	55 Å²	55	131.7 Å²	131.7	29%	0.294	64%	0.636	S	S	.	*	G	3₁₀ helix	trans	-115.3	17	-179.3	-81.6	-18.3	0	0	0	114.4	H3 T4 N8 K9	H3-N6 WeakPolarHBondContact O-CB 3.4Å; H3-N6 PolarHBondContact O-N 2.95Å; T4-N6 PolarHBondContact O-N 3.34Å; N6-N8 PolarHBondContact O-N 3.03Å; N6-K9 HydrophobicContact CB-CB 4.07Å; N6-K9 PolarHBondContact O-N 3.08Å; N6-K9 WeakPolarHBondContact OD1-CD 3.45Å; N6-K9 VanDerWaalsContact OD1-CE 3.3Å; N6-K9 WeakPolarHBondContact OD1-CE 3.24Å; N6-K9 PolarHBondContact OD1-NZ 3.48Å
7	L	47.5	Very low	48.2	Very low	58 Å²	58	135.3 Å²	135.3	30%	0.304	65%	0.648	S	S	.	*	G	3₁₀ helix	trans	-58	-32.7	168.6	-79.6	165.6	0	0	0	111.4	K9 I10	L7-K9 PolarHBondContact O-N 2.83Å; L7-I10 HydrophobicContact CD2-CD1 4.17Å
8	N	46.6	Very low	49.4	Very low	132 Å²	132	133.1 Å²	133.1	71%	0.706	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-75.8	-5.7	173.8	-64.9	-9.1	0	0	0	113.9	N6	N6-N8 PolarHBondContact O-N 3.03Å
9	K	47.1	Very low	50.5	Low	153 Å²	153	130.4 Å²	130.4	67%	0.665	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-108.9	6.3	179.7	-66.9	-161	-165	137.1	0	114.1	N6 L7 R11	N6-K9 HydrophobicContact CB-CB 4.07Å; N6-K9 PolarHBondContact O-N 3.08Å; N6-K9 WeakPolarHBondContact OD1-CD 3.45Å; N6-K9 VanDerWaalsContact OD1-CE 3.3Å; N6-K9 WeakPolarHBondContact OD1-CE 3.24Å; N6-K9 PolarHBondContact OD1-NZ 3.48Å; L7-K9 PolarHBondContact O-N 2.83Å; K9-R11 VanDerWaalsContact C-N 3.27Å; K9-R11 PolarHBondContact O-N 2.78Å
10	I	47.7	Very low	51.6	Low	106 Å²	106	124.9 Å²	124.9	54%	0.544	60%	0.6	S	S	.	*			trans	-68.6	91.4	169.3	-58.1	177.1	0	0	0	107.5	L7	L7-I10 HydrophobicContact CD2-CD1 4.17Å
11	R	47.2	Very low	52.9	Low	225 Å²	225	123 Å²	123	85%	0.849	59%	0.59	S	S	*	*			trans	-62.7	140.3	172.1	-89.4	-177.1	170.9	179.8	-2	109.4	K9 V13	K9-R11 VanDerWaalsContact C-N 3.27Å; K9-R11 PolarHBondContact O-N 2.78Å; R11-V13 PolarHBondContact O-N 2.88Å; R11-V13 VanDerWaalsContact O-N 3.07Å
12	K	46.7	Very low	55.3	Low	191 Å²	191	115.7 Å²	115.7	83%	0.83	55%	0.554	S	S	*	*			trans	-41.5	106.4	176.8	-74.2	178.3	172.9	179.1	0	112.6
13	V	53.8	Low	57.6	Low	146 Å²	146	114.8 Å²	114.8	89%	0.885	55%	0.548	S	S	*	.			trans	-114.6	-6.6	167.7	178.3	0	0	0	0	112	R11	R11-V13 PolarHBondContact O-N 2.88Å; R11-V13 VanDerWaalsContact O-N 3.07Å
14	S	56.9	Low	60	Low	89 Å²	89	109.7 Å²	109.7	62%	0.622	53%	0.526	S	S	*	.	S	Bend	trans	-136.2	160.1	-177.7	66	0	0	0	0	113.1	Y16	S14-Y16 PolarHBondContact O-N 3.45Å
15	Q	66.2	Low	62	Low	206 Å²	206	108.5 Å²	108.5	96%	0.963	52%	0.52	S	S	*	.	S	Bend	trans	-62.3	13	176.9	-66.4	175.9	-13.8	0	0	114.3
16	Y	68.1	Low	63.8	Low	138 Å²	138	103.4 Å²	103.4	54%	0.541	50%	0.498	S	S	.	.			trans	-73.5	134.4	-176.4	-160.5	-108.5	0	0	0	110.9	S14 Y18 A24	S14-Y16 PolarHBondContact O-N 3.45Å; Y16-Y18 AromaticContact CE1-CD2 3.79Å; Y16-Y18 HydrophobicContact CE1-CD2 3.79Å; Y16-Y18 HydrophobicContact CE1-CG 4.33Å; Y16-Y18 PolarHBondContact O-N 2.85Å; Y16-A24 HydrophobicContact CE1-CB 4.32Å
17	K	70.9	Confident	65.7	Low	193 Å²	193	104.5 Å²	104.5	84%	0.839	50%	0.503	S	S	*	.	S	Bend	trans	-69	-31	-172.2	-73.1	-177	177.7	178.7	0	113.7
18	Y	69.9	Low	67.3	Low	96 Å²	96	105.1 Å²	105.1	38%	0.376	51%	0.513	S	S	.	.			trans	-99.2	145.9	-173.1	-52.8	-61	0	0	0	111.7	Y16 A24 L27	Y16-Y18 AromaticContact CE1-CD2 3.79Å; Y16-Y18 HydrophobicContact CE1-CD2 3.79Å; Y16-Y18 HydrophobicContact CE1-CG 4.33Å; Y16-Y18 PolarHBondContact O-N 2.85Å; Y18-A24 HydrophobicContact CD2-CB 3.53Å; Y18-A24 HydrophobicContact CE2-CB 4.19Å; Y18-A24 HydrophobicContact CG-CB 4.04Å; Y18-L27 HydrophobicContact CD1-CD1 3.63Å; Y18-L27 HydrophobicContact CE1-CD1 3.14Å
19	T	69.4	Low	69.1	Low	81 Å²	81	99.1 Å²	99.1	50%	0.497	48%	0.48	S	S	.	.	S	Bend	trans	-78.7	-29.6	-175.2	68.8	0	0	0	0	111.9	E23	T19-E23 PolarHBondContact N-OE2 3.29Å; T19-E23 PolarHBondContact OG1-OE1 3.49Å; T19-E23 PolarHBondContact OG1-OE2 2.91Å
20	T	73.6	Confident	70.8	Confident	20 Å²	20	96.1 Å²	96.1	12%	0.123	47%	0.472	C	S	.	.	S	Bend	trans	-136.2	157.2	177.8	65.6	0	0	0	0	110.9	N22 E23 A24	T20-N22 PolarHBondContact O-N 2.94Å; T20-E23 PolarHBondContact O-N 2.7Å; T20-E23 WeakPolarHBondContact OG1-CG 3.13Å; T20-E23 PolarHBondContact OG1-N 2.8Å; T20-A24 PolarHBondContact O-N 3.05Å
21	F	78.9	Confident	72.6	Confident	86 Å²	86	97 Å²	97	38%	0.377	48%	0.477	S	S	.	.	H	α-helix	trans	-60.3	-35.2	171.1	175.5	-94.9	0	0	0	111.7	E23 A24 A25 L101 L102 V105	F21-E23 VanDerWaalsContact C-N 3.35Å; F21-E23 PolarHBondContact O-N 3.14Å; F21-A24 PolarHBondContact O-N 3.33Å; F21-A25 HydrophobicContact CE1-CB 4.12Å; F21-A25 HydrophobicContact CZ-CB 4.4Å; F21-A25 WeakPolarHBondContact O-CB 3.38Å; F21-A25 PolarHBondContact O-N 3.46Å; F21-L101 HydrophobicContact CE1-CB 3.71Å; F21-L101 HydrophobicContact CZ-CB 3.78Å; F21-L101 HydrophobicContact CZ-CD1 4.36Å; F21-L102 HydrophobicContact CZ-CD2 4.23Å; F21-V105 HydrophobicContact CD1-CG2 3.98Å; F21-V105 HydrophobicContact CE1-CG2 3.82Å
22	N	78.1	Confident	74.5	Confident	36 Å²	36	86.6 Å²	86.6	19%	0.193	44%	0.439	C	S	.	.	H	α-helix	trans	-60.7	-43.4	179.9	-64.9	0.9	0	0	0	111.6	T20 A25 L26 V105	T20-N22 PolarHBondContact O-N 2.94Å; N22-A25 PolarHBondContact O-N 3.14Å; N22-L26 WeakPolarHBondContact O-CB 3.44Å; N22-L26 VanDerWaalsContact O-CG 3.29Å; N22-L26 WeakPolarHBondContact O-CG 3.45Å; N22-L26 PolarHBondContact O-N 3.23Å; N22-V105 WeakPolarHBondContact OD1-CG2 3.35Å
23	E	78.9	Confident	76.6	Confident	83 Å²	83	80.2 Å²	80.2	39%	0.388	42%	0.418	S	S	.	.	H	α-helix	trans	-60.2	-46.4	174.4	-75	175.7	172.9	0	0	111.6	T19 T20 F21 A25 L26 L27	T19-E23 PolarHBondContact N-OE2 3.29Å; T19-E23 PolarHBondContact OG1-OE1 3.49Å; T19-E23 PolarHBondContact OG1-OE2 2.91Å; T20-E23 PolarHBondContact O-N 2.7Å; T20-E23 WeakPolarHBondContact OG1-CG 3.13Å; T20-E23 PolarHBondContact OG1-N 2.8Å; F21-E23 VanDerWaalsContact C-N 3.35Å; F21-E23 PolarHBondContact O-N 3.14Å; E23-A25 PolarHBondContact O-N 2.96Å; E23-L26 PolarHBondContact O-N 2.81Å; E23-L27 WeakPolarHBondContact O-CB 3.48Å; E23-L27 VanDerWaalsContact O-CG 3.26Å; E23-L27 WeakPolarHBondContact O-CG 3.48Å; E23-L27 PolarHBondContact O-N 3.27Å
24	A	83	Confident	78.3	Confident	11 Å²	11	80.3 Å²	80.3	9%	0.091	41%	0.409	C	S	.	.	H	α-helix	trans	-61.6	-44.2	179.4	0	0	0	0	0	111.8	Y16 Y18 T20 F21 S28	Y16-A24 HydrophobicContact CE1-CB 4.32Å; Y18-A24 HydrophobicContact CD2-CB 3.53Å; Y18-A24 HydrophobicContact CE2-CB 4.19Å; Y18-A24 HydrophobicContact CG-CB 4.04Å; T20-A24 PolarHBondContact O-N 3.05Å; F21-A24 PolarHBondContact O-N 3.33Å; A24-S28 PolarHBondContact O-N 3.48Å; A24-S28 PolarHBondContact O-OG 2.69Å
25	A	82.8	Confident	79.9	Confident	6 Å²	6	79.9 Å²	79.9	5%	0.05	41%	0.406	C	S	.	.	H	α-helix	trans	-67.4	-41.2	179.7	0	0	0	0	0	112.6	F21 N22 E23 S28 L29 L102 V105	F21-A25 HydrophobicContact CE1-CB 4.12Å; F21-A25 HydrophobicContact CZ-CB 4.4Å; F21-A25 WeakPolarHBondContact O-CB 3.38Å; F21-A25 PolarHBondContact O-N 3.46Å; N22-A25 PolarHBondContact O-N 3.14Å; E23-A25 PolarHBondContact O-N 2.96Å; A25-S28 PolarHBondContact O-N 2.99Å; A25-L29 WeakPolarHBondContact O-CG 3.44Å; A25-L29 PolarHBondContact O-N 3.27Å; A25-L102 HydrophobicContact CB-CD2 3.88Å; A25-V105 HydrophobicContact CB-CB 4.34Å; A25-V105 HydrophobicContact CB-CG1 4.01Å; A25-V105 HydrophobicContact CB-CG2 4.05Å
26	L	82.5	Confident	81.1	Confident	60 Å²	60	71.5 Å²	71.5	31%	0.314	37%	0.368	S	S	.	.	H	α-helix	trans	-67.1	-38.8	176.9	-71.5	172	0	0	0	111.9	N22 E23 S28 L29 D30 V105	N22-L26 WeakPolarHBondContact O-CB 3.44Å; N22-L26 VanDerWaalsContact O-CG 3.29Å; N22-L26 WeakPolarHBondContact O-CG 3.45Å; N22-L26 PolarHBondContact O-N 3.23Å; E23-L26 PolarHBondContact O-N 2.81Å; L26-S28 VanDerWaalsContact C-N 3.29Å; L26-S28 PolarHBondContact O-N 3.35Å; L26-L29 HydrophobicContact CD2-CD1 4.38Å; L26-L29 WeakPolarHBondContact O-CA 3.38Å; L26-L29 WeakPolarHBondContact O-CB 3.39Å; L26-L29 PolarHBondContact O-N 2.85Å; L26-D30 PolarHBondContact O-N 3.01Å; L26-V105 HydrophobicContact CD2-CG1 4.02Å; L26-V105 HydrophobicContact CG-CG1 3.99Å
27	L	83.5	Confident	82.2	Confident	79 Å²	79	66.9 Å²	66.9	41%	0.414	35%	0.35	S	S	.	.	H	α-helix	trans	-63.7	-33.9	175.1	-74.2	168.3	0	0	0	112.5	Y18 E23 L29 D30	Y18-L27 HydrophobicContact CD1-CD1 3.63Å; Y18-L27 HydrophobicContact CE1-CD1 3.14Å; E23-L27 WeakPolarHBondContact O-CB 3.48Å; E23-L27 VanDerWaalsContact O-CG 3.26Å; E23-L27 WeakPolarHBondContact O-CG 3.48Å; E23-L27 PolarHBondContact O-N 3.27Å; L27-L29 PolarHBondContact O-N 3.18Å; L27-D30 PolarHBondContact O-N 3.38Å
28	S	82	Confident	83.2	Confident	71 Å²	71	64.1 Å²	64.1	50%	0.497	34%	0.338	S	S	.	.	H	α-helix	trans	-65.1	-22.2	171.9	-60.1	0	0	0	0	113.1	A24 A25 L26	A24-S28 PolarHBondContact O-N 3.48Å; A24-S28 PolarHBondContact O-OG 2.69Å; A25-S28 PolarHBondContact O-N 2.99Å; L26-S28 VanDerWaalsContact C-N 3.29Å; L26-S28 PolarHBondContact O-N 3.35Å
29	L	83.6	Confident	84.2	Confident	5 Å²	5	61 Å²	61	3%	0.026	33%	0.328	C	S	.	.	H	α-helix	trans	-88	-19.2	176.5	-63.2	172	0	0	0	113.1	A25 L26 L27 D31 L32 Y40 F41 L80	A25-L29 WeakPolarHBondContact O-CG 3.44Å; A25-L29 PolarHBondContact O-N 3.27Å; L26-L29 HydrophobicContact CD2-CD1 4.38Å; L26-L29 WeakPolarHBondContact O-CA 3.38Å; L26-L29 WeakPolarHBondContact O-CB 3.39Å; L26-L29 PolarHBondContact O-N 2.85Å; L27-L29 PolarHBondContact O-N 3.18Å; L29-D31 PolarHBondContact O-N 3.26Å; L29-L32 HydrophobicContact CD2-CD1 3.81Å; L29-L32 WeakPolarHBondContact O-CB 3.35Å; L29-L32 PolarHBondContact O-N 3.4Å; L29-Y40 HydrophobicContact CD1-CD1 4.23Å; L29-Y40 HydrophobicContact CD1-CE1 4.16Å; L29-Y40 HydrophobicContact CD2-CD1 3.36Å; L29-Y40 HydrophobicContact CD2-CE1 3.39Å; L29-Y40 HydrophobicContact CD2-CG 4.13Å; L29-Y40 HydrophobicContact CG-CD1 4.45Å; L29-Y40 HydrophobicContact CG-CE1 4.4Å; L29-F41 HydrophobicContact CD1-CE1 4.49Å; L29-F41 HydrophobicContact CD1-CZ 4.25Å; L29-L80 HydrophobicContact CD2-CD1 3.83Å; L29-L80 HydrophobicContact CD2-CD2 3.81Å; L29-L80 HydrophobicContact CD2-CG 4.46Å
30	D	83.4	Confident	85.3	Confident	91 Å²	91	57.3 Å²	57.3	49%	0.487	31%	0.305	S	S	.	.	H	α-helix	trans	-71.5	-18.8	179.2	-72.3	-24.9	0	0	0	113.4	L26 L27 L32 K37	L26-D30 PolarHBondContact O-N 3.01Å; L27-D30 PolarHBondContact O-N 3.38Å; D30-L32 VanDerWaalsContact C-N 3.26Å; D30-L32 PolarHBondContact O-N 2.96Å; D30-K37 IonicContact OD1-NZ 2.8Å; D30-K37 PolarHBondContact OD1-NZ 3.42Å
31	D	85	Confident	86.1	Confident	123 Å²	123	57.4 Å²	57.4	66%	0.658	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-6.2	174.4	-168.5	56.9	0	0	0	113.2	L29 R78	L29-D31 PolarHBondContact O-N 3.26Å; D31-R78 PolarHBondContact O-NH1 3.11Å; D31-R78 IonicContact OD2-NH1 3.88Å; D31-R78 PolarHBondContact OD2-NH1 2.69Å; D31-R78 VanDerWaalsContact OD2-NH1 3.14Å
32	L	87.7	Confident	86.8	Confident	8 Å²	8	53.5 Å²	53.5	4%	0.042	29%	0.287	C	S	.	.	S	Bend	trans	-78.9	146.1	174.2	-66.8	169.7	0	0	0	110.5	L29 D30 L36 K37 F75 L80	L29-L32 HydrophobicContact CD2-CD1 3.81Å; L29-L32 WeakPolarHBondContact O-CB 3.35Å; L29-L32 PolarHBondContact O-N 3.4Å; D30-L32 VanDerWaalsContact C-N 3.26Å; D30-L32 PolarHBondContact O-N 2.96Å; L32-L36 HydrophobicContact CB-CB 4.29Å; L32-L36 HydrophobicContact CD2-CB 4.22Å; L32-L36 HydrophobicContact CD2-CD1 4.46Å; L32-K37 HydrophobicContact CB-CB 4.08Å; L32-F75 HydrophobicContact CD1-CE1 4.31Å; L32-F75 HydrophobicContact CD2-CD1 4.38Å; L32-F75 HydrophobicContact CD2-CE1 4.21Å; L32-L80 HydrophobicContact CD1-CD1 3.77Å; L32-L80 HydrophobicContact CD2-CD1 4.18Å; L32-L80 HydrophobicContact CG-CD1 4.28Å
33	S	90	Very high	87.3	Confident	57 Å²	57	51.9 Å²	51.9	40%	0.399	28%	0.278	S	S	.	.			trans	-59.6	148.6	167	73	0	0	0	0	109.9	S35 L36 K37	S33-S35 PolarHBondContact O-N 3.24Å; S33-S35 PolarHBondContact OG-OG 3.45Å; S33-L36 PolarHBondContact O-N 2.91Å; S33-L36 WeakPolarHBondContact OG-CG 3.23Å; S33-L36 PolarHBondContact OG-N 3.08Å; S33-K37 WeakPolarHBondContact O-CB 3.26Å; S33-K37 PolarHBondContact O-N 3.4Å
34	E	89.6	Confident	87.8	Confident	147 Å²	147	48.1 Å²	48.1	69%	0.687	26%	0.261	S	S	*	.	H	α-helix	trans	-51.7	-34.8	-180	-72.1	-62.2	148.8	0	0	112.9	K38	E34-K38 PolarHBondContact O-N 3.38Å; E34-K38 VanDerWaalsContact O-N 3.08Å
35	S	91.3	Very high	88	Confident	80 Å²	80	47.7 Å²	47.7	56%	0.559	26%	0.257	S	S	*	.	H	α-helix	trans	-64.5	-49	174.1	60.3	0	0	0	0	113.6	S33 K38 L39	S33-S35 PolarHBondContact O-N 3.24Å; S33-S35 PolarHBondContact OG-OG 3.45Å; S35-K38 PolarHBondContact O-N 3.22Å; S35-L39 WeakPolarHBondContact O-CG 3.37Å; S35-L39 PolarHBondContact O-N 3.27Å
36	L	91.7	Very high	88.2	Confident	31 Å²	31	47.4 Å²	47.4	16%	0.162	26%	0.255	C	S	.	.	H	α-helix	trans	-70	-36.3	179.1	-72.4	174.9	0	0	0	111.4	L32 S33 K38 L39 Y40 I71 E74 F75	L32-L36 HydrophobicContact CB-CB 4.29Å; L32-L36 HydrophobicContact CD2-CB 4.22Å; L32-L36 HydrophobicContact CD2-CD1 4.46Å; S33-L36 PolarHBondContact O-N 2.91Å; S33-L36 WeakPolarHBondContact OG-CG 3.23Å; S33-L36 PolarHBondContact OG-N 3.08Å; L36-K38 VanDerWaalsContact C-N 3.34Å; L36-K38 PolarHBondContact O-N 3.32Å; L36-L39 PolarHBondContact O-N 3.24Å; L36-Y40 WeakPolarHBondContact O-CB 3.37Å; L36-Y40 PolarHBondContact O-N 2.95Å; L36-I71 HydrophobicContact CD2-CG1 4.25Å; L36-I71 HydrophobicContact CD2-CG2 4.03Å; L36-E74 HydrophobicContact CD1-CG 4.14Å; L36-F75 HydrophobicContact CB-CE1 4.21Å; L36-F75 HydrophobicContact CD2-CE1 4.4Å; L36-F75 HydrophobicContact CD2-CZ 4.4Å; L36-F75 WeakPolarHBondContact O-CZ 3.29Å
37	K	90.7	Very high	88.1	Confident	40 Å²	40	44.6 Å²	44.6	17%	0.174	24%	0.24	C	C	.	.	H	α-helix	trans	-58.7	-46.2	175.2	-172.4	168.5	177.5	174.2	0	110.5	D30 L32 S33 Y40 F41	D30-K37 IonicContact OD1-NZ 2.8Å; D30-K37 PolarHBondContact OD1-NZ 3.42Å; L32-K37 HydrophobicContact CB-CB 4.08Å; S33-K37 WeakPolarHBondContact O-CB 3.26Å; S33-K37 PolarHBondContact O-N 3.4Å; K37-Y40 PolarHBondContact O-N 2.77Å; K37-F41 HydrophobicContact CD-CE2 4.29Å; K37-F41 HydrophobicContact CG-CD2 3.85Å; K37-F41 HydrophobicContact CG-CE2 3.6Å; K37-F41 WeakPolarHBondContact O-CB 3.47Å; K37-F41 WeakPolarHBondContact O-CD2 3.28Å; K37-F41 PolarHBondContact O-N 3.43Å
38	K	91	Very high	87.7	Confident	135 Å²	135	41.5 Å²	41.5	59%	0.587	22%	0.224	S	C	*	.	H	α-helix	trans	-60.5	-45.8	175.2	-170.9	-178.5	178.5	-175.2	0	112.5	E34 S35 L36 Y40 F41 D42	E34-K38 PolarHBondContact O-N 3.38Å; E34-K38 VanDerWaalsContact O-N 3.08Å; S35-K38 PolarHBondContact O-N 3.22Å; L36-K38 VanDerWaalsContact C-N 3.34Å; L36-K38 PolarHBondContact O-N 3.32Å; K38-Y40 VanDerWaalsContact C-N 3.34Å; K38-Y40 PolarHBondContact O-N 3.34Å; K38-F41 PolarHBondContact O-N 3.18Å; K38-D42 PolarHBondContact O-N 2.96Å
39	L	92.5	Very high	87.1	Confident	31 Å²	31	40 Å²	40	16%	0.162	22%	0.22	C	C	.	.	H	α-helix	trans	-65.7	-35.9	178.4	-66.7	173.9	0	0	0	112.5	S35 L36 D42 W61 I71 F75	S35-L39 WeakPolarHBondContact O-CG 3.37Å; S35-L39 PolarHBondContact O-N 3.27Å; L36-L39 PolarHBondContact O-N 3.24Å; L39-D42 WeakPolarHBondContact O-CB 3.49Å; L39-D42 PolarHBondContact O-N 3.25Å; L39-W61 HydrophobicContact CB-CZ2 4.1Å; L39-W61 HydrophobicContact CD2-CD2 3.91Å; L39-W61 HydrophobicContact CD2-CG 3.82Å; L39-W61 WeakPolarHBondContact O-CZ2 3.18Å; L39-I71 HydrophobicContact CD1-CD1 3.75Å; L39-I71 HydrophobicContact CD1-CG1 4.45Å; L39-I71 HydrophobicContact CD1-CG2 4.37Å; L39-F75 HydrophobicContact CB-CZ 4.38Å
40	Y	91.8	Very high	86.6	Confident	3 Å²	3	40.2 Å²	40.2	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-66.8	-41.7	174.6	-168.2	-100.6	0	0	0	111.5	L29 L36 K37 K38 D42 L43 F75 L80 L81 V106	L29-Y40 HydrophobicContact CD1-CD1 4.23Å; L29-Y40 HydrophobicContact CD1-CE1 4.16Å; L29-Y40 HydrophobicContact CD2-CD1 3.36Å; L29-Y40 HydrophobicContact CD2-CE1 3.39Å; L29-Y40 HydrophobicContact CD2-CG 4.13Å; L29-Y40 HydrophobicContact CG-CD1 4.45Å; L29-Y40 HydrophobicContact CG-CE1 4.4Å; L36-Y40 WeakPolarHBondContact O-CB 3.37Å; L36-Y40 PolarHBondContact O-N 2.95Å; K37-Y40 PolarHBondContact O-N 2.77Å; K38-Y40 VanDerWaalsContact C-N 3.34Å; K38-Y40 PolarHBondContact O-N 3.34Å; Y40-D42 VanDerWaalsContact C-N 3.31Å; Y40-D42 PolarHBondContact O-N 3.18Å; Y40-L43 HydrophobicContact CD2-CD1 3.92Å; Y40-L43 HydrophobicContact CE2-CD1 4.13Å; Y40-L43 VanDerWaalsContact O-CB 3.23Å; Y40-L43 WeakPolarHBondContact O-CB 3.28Å; Y40-L43 WeakPolarHBondContact O-CG 3.46Å; Y40-L43 PolarHBondContact O-N 3.43Å; Y40-L43 VanDerWaalsContact O-N 3.12Å; Y40-F75 AromaticContact CD2-CD1 3.94Å; Y40-F75 HydrophobicContact CD2-CD1 3.94Å; Y40-F75 HydrophobicContact CD2-CD2 4.09Å; Y40-F75 AromaticContact CD2-CE1 3.95Å; Y40-F75 HydrophobicContact CD2-CE1 3.95Å; Y40-F75 HydrophobicContact CD2-CE2 4.08Å; Y40-F75 HydrophobicContact CD2-CG 4.03Å; Y40-F75 HydrophobicContact CD2-CZ 4.02Å; Y40-F75 HydrophobicContact CG-CE1 4.34Å; Y40-F75 HydrophobicContact CG-CZ 4.39Å; Y40-L80 HydrophobicContact CD2-CB 4.36Å; Y40-L80 HydrophobicContact CD2-CD1 4.47Å; Y40-L80 HydrophobicContact CE2-CB 3.56Å; Y40-L80 HydrophobicContact CE2-CD1 4.35Å; Y40-L80 HydrophobicContact CE2-CG 4.47Å; Y40-L80 PolarHBondContact OH-O 2.88Å; Y40-L81 HydrophobicContact CE2-CG 4.5Å; Y40-V106 HydrophobicContact CD1-CG2 4.05Å; Y40-V106 HydrophobicContact CE1-CG2 3.45Å; Y40-V106 VanDerWaalsContact CE1-CG2 3.45Å
41	F	91.1	Very high	86.3	Confident	22 Å²	22	39.5 Å²	39.5	10%	0.096	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-31.1	175.1	-85.2	-58	0	0	0	113.2	L29 K37 K38 L43 A44 V106 N109 F110	L29-F41 HydrophobicContact CD1-CE1 4.49Å; L29-F41 HydrophobicContact CD1-CZ 4.25Å; K37-F41 HydrophobicContact CD-CE2 4.29Å; K37-F41 HydrophobicContact CG-CD2 3.85Å; K37-F41 HydrophobicContact CG-CE2 3.6Å; K37-F41 WeakPolarHBondContact O-CB 3.47Å; K37-F41 WeakPolarHBondContact O-CD2 3.28Å; K37-F41 PolarHBondContact O-N 3.43Å; K38-F41 PolarHBondContact O-N 3.18Å; F41-L43 PolarHBondContact O-N 3.47Å; F41-L43 VanDerWaalsContact O-N 3.17Å; F41-A44 WeakPolarHBondContact O-CB 3.35Å; F41-A44 PolarHBondContact O-N 3.08Å; F41-V106 HydrophobicContact CD1-CG1 3.79Å; F41-V106 HydrophobicContact CE1-CG1 4.37Å; F41-N109 HydrophobicContact CE1-CB 3.94Å; F41-N109 WeakPolarHBondContact CE1-ND2 3.44Å; F41-N109 VanDerWaalsContact CZ-ND2 3.28Å; F41-N109 WeakPolarHBondContact CZ-ND2 3.45Å; F41-F110 HydrophobicContact CB-CE2 3.85Å; F41-F110 HydrophobicContact CB-CZ 3.71Å; F41-F110 AromaticContact CD1-CE2 3.73Å; F41-F110 HydrophobicContact CD1-CE2 3.73Å; F41-F110 HydrophobicContact CD1-CZ 4.19Å; F41-F110 HydrophobicContact CG-CE2 4.16Å; F41-F110 HydrophobicContact CG-CZ 4.2Å; F41-F110 WeakPolarHBondContact O-CE2 3.48Å
42	D	91.7	Very high	86.2	Confident	5 Å²	5	33.9 Å²	33.9	3%	0.027	18%	0.181	C	C	.	.	H	α-helix	trans	-58.5	-26	172.5	-78.1	-23.4	0	0	0	112.2	K38 L39 Y40 A44 V45 Y60 R121	K38-D42 PolarHBondContact O-N 2.96Å; L39-D42 WeakPolarHBondContact O-CB 3.49Å; L39-D42 PolarHBondContact O-N 3.25Å; Y40-D42 VanDerWaalsContact C-N 3.31Å; Y40-D42 PolarHBondContact O-N 3.18Å; D42-A44 PolarHBondContact O-N 3.08Å; D42-A44 VanDerWaalsContact O-N 3.14Å; D42-V45 WeakPolarHBondContact O-CG1 3.47Å; D42-V45 PolarHBondContact O-N 3.43Å; D42-Y60 HydrophobicContact CB-CE1 3.71Å; D42-Y60 WeakPolarHBondContact O-CE1 3.36Å; D42-R121 VanDerWaalsContact CG-NH1 3.31Å; D42-R121 IonicContact OD1-CZ 2.94Å; D42-R121 IonicContact OD1-NH1 3.76Å; D42-R121 PolarHBondContact OD1-NH1 2.95Å; D42-R121 IonicContact OD1-NH2 3.65Å; D42-R121 IonicContact OD2-CZ 3.14Å; D42-R121 IonicContact OD2-NH1 2.7Å; D42-R121 PolarHBondContact OD2-NH1 2.92Å; D42-R121 VanDerWaalsContact OD2-NH1 3.14Å; D42-R121 IonicContact OD2-NH2 3.35Å; D42-R121 PolarHBondContact OD2-NH2 3.31Å
43	L	90.4	Very high	86	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.01	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-66.5	-10.4	176.2	-55.5	177.5	0	0	0	113.6	Y40 F41 V45 F46 I52 L57 W61 L81 I98 H103	Y40-L43 HydrophobicContact CD2-CD1 3.92Å; Y40-L43 HydrophobicContact CE2-CD1 4.13Å; Y40-L43 VanDerWaalsContact O-CB 3.23Å; Y40-L43 WeakPolarHBondContact O-CB 3.28Å; Y40-L43 WeakPolarHBondContact O-CG 3.46Å; Y40-L43 PolarHBondContact O-N 3.43Å; Y40-L43 VanDerWaalsContact O-N 3.12Å; F41-L43 PolarHBondContact O-N 3.47Å; F41-L43 VanDerWaalsContact O-N 3.17Å; L43-V45 PolarHBondContact O-N 3.23Å; L43-V45 VanDerWaalsContact O-N 3.07Å; L43-F46 HydrophobicContact CB-CD2 4.31Å; L43-F46 HydrophobicContact CD2-CD2 4.17Å; L43-F46 HydrophobicContact CD2-CE2 3.82Å; L43-F46 WeakPolarHBondContact O-CD2 3.47Å; L43-F46 PolarHBondContact O-N 3.37Å; L43-I52 HydrophobicContact CD2-CD1 4.44Å; L43-L57 HydrophobicContact CD2-CD1 4.37Å; L43-L57 HydrophobicContact CD2-CD2 3.77Å; L43-W61 HydrophobicContact CD2-CH2 4.25Å; L43-W61 HydrophobicContact CD2-CZ2 3.76Å; L43-W61 HydrophobicContact CG-CZ2 4.38Å; L43-L81 HydrophobicContact CD1-CD1 4.36Å; L43-L81 HydrophobicContact CD1-CD2 4.4Å; L43-I98 HydrophobicContact CB-CD1 3.74Å; L43-I98 HydrophobicContact CD1-CD1 4.03Å; L43-I98 HydrophobicContact CG-CD1 4.48Å; L43-H103 PolarHBondContact O-NE2 3.38Å
44	A	87.8	Confident	85.9	Confident	4 Å²	4	32.1 Å²	32.1	3%	0.033	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-57.7	-20.3	172.6	0	0	0	0	0	113.5	F41 D42 F46 V106 K107 F110 L118	F41-A44 WeakPolarHBondContact O-CB 3.35Å; F41-A44 PolarHBondContact O-N 3.08Å; D42-A44 PolarHBondContact O-N 3.08Å; D42-A44 VanDerWaalsContact O-N 3.14Å; A44-F46 VanDerWaalsContact C-N 3.27Å; A44-F46 PolarHBondContact O-N 3.18Å; A44-V106 HydrophobicContact CB-CG1 3.96Å; A44-K107 HydrophobicContact CB-CG 4.21Å; A44-K107 WeakPolarHBondContact O-CE 3.43Å; A44-F110 HydrophobicContact CB-CD2 3.8Å; A44-F110 HydrophobicContact CB-CE2 3.77Å; A44-L118 HydrophobicContact CB-CD1 4.37Å
45	V	89.1	Confident	85.7	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.006	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-68.6	-23.1	-178.8	78.7	0	0	0	0	113	D42 L43 Y60 H119 F122 H150	D42-V45 WeakPolarHBondContact O-CG1 3.47Å; D42-V45 PolarHBondContact O-N 3.43Å; L43-V45 PolarHBondContact O-N 3.23Å; L43-V45 VanDerWaalsContact O-N 3.07Å; V45-Y60 HydrophobicContact CG1-CD1 4.5Å; V45-Y60 HydrophobicContact CG1-CE1 3.87Å; V45-H119 VanDerWaalsContact CG2-CE1 3.43Å; V45-H119 WeakPolarHBondContact CG2-CE1 3.19Å; V45-H119 WeakPolarHBondContact CG2-ND1 3.28Å; V45-H119 PolarHBondContact O-CE1 3.34Å; V45-H119 VanDerWaalsContact O-CE1 3.23Å; V45-F122 HydrophobicContact CG1-CD2 4.35Å; V45-F122 HydrophobicContact CG2-CB 4.14Å; V45-F122 HydrophobicContact CG2-CG 4.39Å; V45-H150 PolarHBondContact O-CE1 2.84Å
46	F	86.5	Confident	85.6	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-79.7	146.1	-174.9	-66.9	-78.4	0	0	0	111.5	L43 A44 I52 V56 L57 H103 K107 F122 Y142	L43-F46 HydrophobicContact CB-CD2 4.31Å; L43-F46 HydrophobicContact CD2-CD2 4.17Å; L43-F46 HydrophobicContact CD2-CE2 3.82Å; L43-F46 WeakPolarHBondContact O-CD2 3.47Å; L43-F46 PolarHBondContact O-N 3.37Å; A44-F46 VanDerWaalsContact C-N 3.27Å; A44-F46 PolarHBondContact O-N 3.18Å; F46-I52 HydrophobicContact CB-CD1 4.16Å; F46-I52 HydrophobicContact CD1-CD1 4.2Å; F46-I52 HydrophobicContact CD1-CG1 3.98Å; F46-I52 HydrophobicContact CD2-CD1 3.55Å; F46-I52 HydrophobicContact CD2-CG1 4.22Å; F46-I52 HydrophobicContact CE1-CG1 4.35Å; F46-I52 HydrophobicContact CE1-CG2 4.16Å; F46-I52 HydrophobicContact CE2-CD1 4.03Å; F46-I52 HydrophobicContact CE2-CG2 4.29Å; F46-I52 HydrophobicContact CG-CD1 3.69Å; F46-I52 HydrophobicContact CG-CG1 3.97Å; F46-I52 HydrophobicContact CZ-CG2 3.99Å; F46-V56 HydrophobicContact CE1-CG1 3.82Å; F46-V56 HydrophobicContact CZ-CG1 4.01Å; F46-L57 HydrophobicContact CE2-CD2 3.76Å; F46-L57 HydrophobicContact CZ-CD2 3.75Å; F46-H103 PolarHBondContact O-CE1 3.23Å; F46-H103 PolarHBondContact O-NE2 3.48Å; F46-H103 VanDerWaalsContact O-NE2 3.15Å; F46-K107 WeakPolarHBondContact O-CE 3.26Å; F46-K107 PolarHBondContact O-NZ 2.94Å; F46-F122 HydrophobicContact CE1-CE2 4.47Å; F46-F122 HydrophobicContact CZ-CE2 4.36Å; F46-Y142 HydrophobicContact CD1-CE1 4.18Å; F46-Y142 AromaticContact CD1-CE2 3.71Å; F46-Y142 HydrophobicContact CD1-CE2 3.71Å; F46-Y142 AromaticContact CD1-CZ 3.4Å; F46-Y142 VanDerWaalsContact CD1-CZ 3.4Å; F46-Y142 WeakPolarHBondContact CD1-OH 3.41Å; F46-Y142 AromaticContact CE1-CE1 3.87Å; F46-Y142 HydrophobicContact CE1-CE1 3.87Å; F46-Y142 HydrophobicContact CE1-CE2 4.01Å; F46-Y142 AromaticContact CE1-CZ 3.57Å
47	P	79.8	Confident	85.6	Confident	1 Å²	1	24 Å²	24	1%	0.006	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-62.7	155.7	169.9	-13.4	24.4	0	0	0	112.1	V50 H103 Y142 F146 Y149 T368	P47-V50 HydrophobicContact CB-CG2 3.56Å; P47-V50 HydrophobicContact CG-CG2 3.84Å; P47-V50 WeakPolarHBondContact O-CG2 3.44Å; P47-H103 PolarHBondContact O-CE1 3.39Å; P47-H103 VanDerWaalsContact O-CE1 3.3Å; P47-Y142 WeakPolarHBondContact CD-OH 3.5Å; P47-F146 HydrophobicContact CB-CE1 4.49Å; P47-F146 HydrophobicContact CG-CD1 3.75Å; P47-F146 HydrophobicContact CG-CE1 3.82Å; P47-F146 HydrophobicContact CG-CG 4.37Å; P47-Y149 HydrophobicContact CB-CE1 4.48Å; P47-Y149 HydrophobicContact CG-CD1 3.8Å; P47-Y149 HydrophobicContact CG-CE1 3.63Å; P47-Y149 HydrophobicContact CG-CG 4.37Å; P47-T368 HydrophobicContact CB-CG2 3.91Å
48	L	75.9	Confident	85.6	Confident	15 Å²	15	23.2 Å²	23.2	8%	0.079	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	141.9	179.4	-64.5	176.6	0	0	0	110.5	V50 T100 H103 R104 K107 N393	L48-V50 PolarHBondContact O-N 3.39Å; L48-T100 HydrophobicContact CD1-CG2 4.48Å; L48-H103 HydrophobicContact CD2-CB 3.68Å; L48-H103 VanDerWaalsContact CD2-CG 3.49Å; L48-R104 HydrophobicContact CD1-CG 4.02Å; L48-R104 HydrophobicContact CD2-CG 4.18Å; L48-K107 HydrophobicContact CD2-CD 4.14Å; L48-N393 WeakPolarHBondContact CD1-OD1 3.36Å
49	G	68.9	Low	85.5	Confident	39 Å²	39	17 Å²	17	40%	0.402	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	2.1	177.5	0	0	0	0	0	115.9	P371	G49-P371 WeakPolarHBondContact O-CG 3.48Å
50	V	73.2	Confident	85.5	Confident	9 Å²	9	15.8 Å²	15.8	6%	0.055	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-78.8	137	-179.5	-175	0	0	0	0	111.1	P47 L48 Y142 F146 P371	P47-V50 HydrophobicContact CB-CG2 3.56Å; P47-V50 HydrophobicContact CG-CG2 3.84Å; P47-V50 WeakPolarHBondContact O-CG2 3.44Å; L48-V50 PolarHBondContact O-N 3.39Å; V50-Y142 HydrophobicContact CG1-CD2 3.97Å; V50-Y142 HydrophobicContact CG1-CE2 3.61Å; V50-F146 HydrophobicContact CG1-CE2 3.73Å; V50-F146 HydrophobicContact CG1-CZ 4.07Å; V50-F146 HydrophobicContact CG2-CE1 4.22Å; V50-F146 HydrophobicContact CG2-CE2 4.21Å; V50-F146 HydrophobicContact CG2-CZ 3.71Å; V50-P371 HydrophobicContact CB-CB 4.47Å; V50-P371 HydrophobicContact CB-CG 4.46Å; V50-P371 HydrophobicContact CG1-CB 4.49Å; V50-P371 HydrophobicContact CG2-CB 4.02Å; V50-P371 HydrophobicContact CG2-CG 3.85Å
51	R	77	Confident	85.5	Confident	76 Å²	76	16.6 Å²	16.6	29%	0.287	9%	0.091	S	C	.	.	P	Polyproline II helix	trans	-76	126.3	169.9	-64	178.3	-174.9	-174	-8.8	109.4	D86 A95	R51-D86 IonicContact CZ-OD2 3.93Å; R51-D86 VanDerWaalsContact CZ-OD2 3.3Å; R51-D86 IonicContact NH1-OD2 3.94Å; R51-D86 PolarHBondContact NH1-OD2 2.95Å; R51-D86 IonicContact NH2-OD2 3.88Å; R51-A95 HydrophobicContact CB-CB 4.27Å
52	I	82.7	Confident	85.5	Confident	5 Å²	5	22.4 Å²	22.4	3%	0.026	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-102	123.4	-178.2	-54.9	169.7	0	0	0	107.6	L43 F46 L57 Y96 I98	L43-I52 HydrophobicContact CD2-CD1 4.44Å; F46-I52 HydrophobicContact CB-CD1 4.16Å; F46-I52 HydrophobicContact CD1-CD1 4.2Å; F46-I52 HydrophobicContact CD1-CG1 3.98Å; F46-I52 HydrophobicContact CD2-CD1 3.55Å; F46-I52 HydrophobicContact CD2-CG1 4.22Å; F46-I52 HydrophobicContact CE1-CG1 4.35Å; F46-I52 HydrophobicContact CE1-CG2 4.16Å; F46-I52 HydrophobicContact CE2-CD1 4.03Å; F46-I52 HydrophobicContact CE2-CG2 4.29Å; F46-I52 HydrophobicContact CG-CD1 3.69Å; F46-I52 HydrophobicContact CG-CG1 3.97Å; F46-I52 HydrophobicContact CZ-CG2 3.99Å; I52-L57 HydrophobicContact CG2-CD1 3.76Å; I52-L57 HydrophobicContact CG2-CD2 4.17Å; I52-L57 HydrophobicContact CG2-CG 3.79Å; I52-Y96 PolarHBondContact N-O 3.16Å; I52-Y96 PolarHBondContact O-N 3.37Å; I52-I98 HydrophobicContact CD1-CD1 4.12Å
53	S	84.3	Confident	85.6	Confident	23 Å²	23	24.8 Å²	24.8	16%	0.161	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-85.7	142.6	171.9	163.2	0	0	0	0	109.9	E55 V56	S53-E55 PolarHBondContact O-N 3.15Å; S53-E55 WeakPolarHBondContact OG-CB 3.48Å; S53-E55 PolarHBondContact OG-N 3.42Å; S53-E55 VanDerWaalsContact OG-N 3.13Å; S53-V56 PolarHBondContact O-N 2.92Å; S53-V56 VanDerWaalsContact O-N 3.09Å
54	P	87.3	Confident	85.7	Confident	6 Å²	6	27.2 Å²	27.2	4%	0.039	15%	0.147	C	C	.	.	H	α-helix	trans	-52	-34.9	170.5	-26.3	34.8	0	0	0	113	V56 L57 T58 V68 E69 L72 E94 Y96	P54-V56 PolarHBondContact O-N 3.02Å; P54-L57 PolarHBondContact O-N 2.95Å; P54-T58 WeakPolarHBondContact O-CG2 3.41Å; P54-T58 PolarHBondContact O-N 3.49Å; P54-V68 HydrophobicContact CB-CG1 4.3Å; P54-E69 HydrophobicContact CB-CG 4.36Å; P54-E69 HydrophobicContact CG-CG 4.48Å; P54-L72 HydrophobicContact CB-CD1 4.29Å; P54-L72 HydrophobicContact CG-CD1 4.09Å; P54-E94 WeakPolarHBondContact CD-O 3.47Å; P54-Y96 HydrophobicContact CG-CD2 4.21Å; P54-Y96 HydrophobicContact CG-CE2 3.79Å
55	E	86.2	Confident	85.7	Confident	87 Å²	87	32.1 Å²	32.1	41%	0.407	17%	0.167	S	C	.	.	H	α-helix	trans	-62.8	-27.6	-179.7	-61.8	175.4	167.2	0	0	113.4	S53 T58 V59 H140	S53-E55 PolarHBondContact O-N 3.15Å; S53-E55 WeakPolarHBondContact OG-CB 3.48Å; S53-E55 PolarHBondContact OG-N 3.42Å; S53-E55 VanDerWaalsContact OG-N 3.13Å; E55-T58 PolarHBondContact O-OG1 3.14Å; E55-V59 WeakPolarHBondContact O-CG2 3.42Å; E55-H140 PolarHBondContact O-CE1 3.43Å; E55-H140 VanDerWaalsContact O-CE1 3.31Å; E55-H140 IonicContact OE2-CD2 3.16Å
56	V	88.9	Confident	85.8	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-75.7	-35.7	176.4	178.6	0	0	0	0	110.4	F46 S53 P54 V59 Y60 F122 Y126 Y142	F46-V56 HydrophobicContact CE1-CG1 3.82Å; F46-V56 HydrophobicContact CZ-CG1 4.01Å; S53-V56 PolarHBondContact O-N 2.92Å; S53-V56 VanDerWaalsContact O-N 3.09Å; P54-V56 PolarHBondContact O-N 3.02Å; V56-V59 PolarHBondContact O-N 3.2Å; V56-Y60 PolarHBondContact O-N 3.26Å; V56-Y60 VanDerWaalsContact O-N 3.09Å; V56-F122 HydrophobicContact CG1-CE2 3.83Å; V56-F122 HydrophobicContact CG1-CZ 3.94Å; V56-Y126 HydrophobicContact CG1-CE2 4.48Å; V56-Y142 HydrophobicContact CB-CD1 4.48Å; V56-Y142 HydrophobicContact CG1-CD1 3.72Å; V56-Y142 HydrophobicContact CG1-CE1 4.06Å; V56-Y142 HydrophobicContact CG1-CG 4.33Å; V56-Y142 HydrophobicContact CG2-CD1 3.89Å; V56-Y142 HydrophobicContact CG2-CG 3.79Å
57	L	91.1	Very high	86.2	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-78.2	-31.1	-178.9	-66.2	175.2	0	0	0	112.3	L43 F46 I52 P54 V59 Y60 W61 V68 L72	L43-L57 HydrophobicContact CD2-CD1 4.37Å; L43-L57 HydrophobicContact CD2-CD2 3.77Å; F46-L57 HydrophobicContact CE2-CD2 3.76Å; F46-L57 HydrophobicContact CZ-CD2 3.75Å; I52-L57 HydrophobicContact CG2-CD1 3.76Å; I52-L57 HydrophobicContact CG2-CD2 4.17Å; I52-L57 HydrophobicContact CG2-CG 3.79Å; P54-L57 PolarHBondContact O-N 2.95Å; L57-V59 PolarHBondContact O-N 3.32Å; L57-Y60 HydrophobicContact CD2-CD1 4.46Å; L57-Y60 PolarHBondContact O-N 3.43Å; L57-W61 HydrophobicContact CB-CD2 4.31Å; L57-W61 HydrophobicContact CB-CE3 4.02Å; L57-W61 HydrophobicContact CB-CZ3 4.13Å; L57-W61 HydrophobicContact CD1-CH2 3.8Å; L57-W61 HydrophobicContact CD1-CZ2 4.36Å; L57-W61 HydrophobicContact CD1-CZ3 3.97Å; L57-W61 HydrophobicContact CD2-CD2 4.42Å; L57-W61 HydrophobicContact CD2-CH2 4.16Å; L57-W61 HydrophobicContact CD2-CZ2 3.88Å; L57-W61 HydrophobicContact CG-CH2 4.4Å; L57-W61 HydrophobicContact CG-CZ3 4.45Å; L57-W61 WeakPolarHBondContact O-CB 3.42Å; L57-W61 PolarHBondContact O-N 3.42Å; L57-V68 HydrophobicContact CB-CG1 3.65Å; L57-V68 HydrophobicContact CD1-CG1 4.29Å; L57-L72 HydrophobicContact CD1-CD1 4.08Å; L57-L72 HydrophobicContact CD1-CD2 3.72Å; L57-L72 HydrophobicContact CD1-CG 4.28Å
58	T	90.9	Very high	86.8	Confident	23 Å²	23	45 Å²	45	14%	0.141	22%	0.221	C	C	.	.	H	α-helix	trans	-59.5	-35.2	168.7	59.1	0	0	0	0	111	P54 E55 E62 M63 K65 V68 R129	P54-T58 WeakPolarHBondContact O-CG2 3.41Å; P54-T58 PolarHBondContact O-N 3.49Å; E55-T58 PolarHBondContact O-OG1 3.14Å; T58-E62 WeakPolarHBondContact O-CA 3.5Å; T58-E62 PolarHBondContact O-N 3.32Å; T58-M63 WeakPolarHBondContact CB-O 3.28Å; T58-M63 PolarHBondContact O-N 2.95Å; T58-K65 VanDerWaalsContact CG2-CA 3.48Å; T58-K65 HydrophobicContact CG2-CB 4.03Å; T58-V68 HydrophobicContact CG2-CB 4.26Å; T58-V68 HydrophobicContact CG2-CG2 3.79Å; T58-R129 PolarHBondContact O-NH2 2.9Å
59	V	89.2	Confident	87.5	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.024	23%	0.227	C	C	.	.	H	α-helix	trans	-69.4	-48.6	175.4	177.4	0	0	0	0	111.5	E55 V56 L57 Y126 R129	E55-V59 WeakPolarHBondContact O-CG2 3.42Å; V56-V59 PolarHBondContact O-N 3.2Å; L57-V59 PolarHBondContact O-N 3.32Å; V59-Y126 HydrophobicContact CB-CD2 4.39Å; V59-Y126 HydrophobicContact CB-CE1 4.32Å; V59-Y126 HydrophobicContact CB-CE2 3.9Å; V59-Y126 HydrophobicContact CG1-CD1 3.86Å; V59-Y126 HydrophobicContact CG1-CD2 3.44Å; V59-Y126 VanDerWaalsContact CG1-CD2 3.44Å; V59-Y126 HydrophobicContact CG1-CE1 3.89Å; V59-Y126 HydrophobicContact CG1-CE2 3.44Å; V59-Y126 VanDerWaalsContact CG1-CE2 3.44Å; V59-Y126 HydrophobicContact CG1-CG 3.65Å; V59-Y126 HydrophobicContact CG2-CE1 4.22Å; V59-R129 VanDerWaalsContact CA-CZ 3.49Å; V59-R129 PolarHBondContact O-NH1 3.39Å
60	Y	91.6	Very high	88.6	Confident	6 Å²	6	50 Å²	50	2%	0.024	24%	0.238	C	C	.	.	H	α-helix	trans	-74.5	-39.1	-173.5	-177.2	-152.3	0	0	0	114.8	D42 V45 V56 L57 R121 F122	D42-Y60 HydrophobicContact CB-CE1 3.71Å; D42-Y60 WeakPolarHBondContact O-CE1 3.36Å; V45-Y60 HydrophobicContact CG1-CD1 4.5Å; V45-Y60 HydrophobicContact CG1-CE1 3.87Å; V56-Y60 PolarHBondContact O-N 3.26Å; V56-Y60 VanDerWaalsContact O-N 3.09Å; L57-Y60 HydrophobicContact CD2-CD1 4.46Å; L57-Y60 PolarHBondContact O-N 3.43Å; Y60-R121 HydrophobicContact CE2-CG 4.18Å; Y60-F122 AromaticContact CD1-CD2 3.9Å; Y60-F122 HydrophobicContact CD1-CD2 3.9Å; Y60-F122 HydrophobicContact CD2-CB 3.91Å; Y60-F122 AromaticContact CD2-CD2 3.7Å; Y60-F122 HydrophobicContact CD2-CD2 3.7Å; Y60-F122 HydrophobicContact CD2-CG 4.28Å; Y60-F122 HydrophobicContact CE1-CD2 4.33Å; Y60-F122 HydrophobicContact CE2-CB 3.74Å; Y60-F122 HydrophobicContact CE2-CD2 4.18Å; Y60-F122 HydrophobicContact CE2-CG 4.49Å; Y60-F122 AromaticContact CG-CD2 3.55Å; Y60-F122 HydrophobicContact CG-CD2 3.55Å; Y60-F122 HydrophobicContact CG-CE2 4.24Å
61	W	92.8	Very high	89.6	Confident	20 Å²	20	50.5 Å²	50.5	8%	0.076	24%	0.24	C	C	.	.	H	α-helix	trans	-89.4	-7	179.5	-63.1	-24.7	0	0	0	113	L39 L43 L57 M63 V68 I71 F75	L39-W61 HydrophobicContact CB-CZ2 4.1Å; L39-W61 HydrophobicContact CD2-CD2 3.91Å; L39-W61 HydrophobicContact CD2-CG 3.82Å; L39-W61 WeakPolarHBondContact O-CZ2 3.18Å; L43-W61 HydrophobicContact CD2-CH2 4.25Å; L43-W61 HydrophobicContact CD2-CZ2 3.76Å; L43-W61 HydrophobicContact CG-CZ2 4.38Å; L57-W61 HydrophobicContact CB-CD2 4.31Å; L57-W61 HydrophobicContact CB-CE3 4.02Å; L57-W61 HydrophobicContact CB-CZ3 4.13Å; L57-W61 HydrophobicContact CD1-CH2 3.8Å; L57-W61 HydrophobicContact CD1-CZ2 4.36Å; L57-W61 HydrophobicContact CD1-CZ3 3.97Å; L57-W61 HydrophobicContact CD2-CD2 4.42Å; L57-W61 HydrophobicContact CD2-CH2 4.16Å; L57-W61 HydrophobicContact CD2-CZ2 3.88Å; L57-W61 HydrophobicContact CG-CH2 4.4Å; L57-W61 HydrophobicContact CG-CZ3 4.45Å; L57-W61 WeakPolarHBondContact O-CB 3.42Å; L57-W61 PolarHBondContact O-N 3.42Å; W61-M63 HydrophobicContact CB-CB 4.43Å; W61-M63 HydrophobicContact CB-CG 4.11Å; W61-M63 HydrophobicContact CB-SD 4.03Å; W61-M63 WeakPolarHBondContact O-CG 3.16Å; W61-M63 PolarHBondContact O-N 3.49Å; W61-V68 HydrophobicContact CE3-CG1 4.24Å; W61-V68 HydrophobicContact CE3-CG2 4.06Å; W61-V68 HydrophobicContact CZ3-CG1 4.06Å; W61-I71 HydrophobicContact CE3-CD1 4.43Å; W61-I71 HydrophobicContact CH2-CG2 4.12Å; W61-I71 HydrophobicContact CZ3-CB 4.37Å; W61-I71 HydrophobicContact CZ3-CD1 4.45Å; W61-I71 HydrophobicContact CZ3-CG2 3.93Å; W61-F75 HydrophobicContact CH2-CE2 4.26Å
62	E	91	Very high	90.3	Very high	144 Å²	144	47 Å²	47	67%	0.673	23%	0.226	S	C	*	.			trans	56.9	35.6	-177.2	-58.7	178.2	178.1	0	0	112.6	T58	T58-E62 WeakPolarHBondContact O-CA 3.5Å; T58-E62 PolarHBondContact O-N 3.32Å
63	M	92.6	Very high	90.7	Very high	54 Å²	54	48.6 Å²	48.6	27%	0.266	24%	0.238	S	C	.	.			trans	-114.8	160.9	-177.2	-67.6	177	72.1	0	0	111.2	T58 W61 E67 V68 I71	T58-M63 WeakPolarHBondContact CB-O 3.28Å; T58-M63 PolarHBondContact O-N 2.95Å; W61-M63 HydrophobicContact CB-CB 4.43Å; W61-M63 HydrophobicContact CB-CG 4.11Å; W61-M63 HydrophobicContact CB-SD 4.03Å; W61-M63 WeakPolarHBondContact O-CG 3.16Å; W61-M63 PolarHBondContact O-N 3.49Å; M63-E67 HydrophobicContact CB-CB 4.42Å; M63-E67 HydrophobicContact CE-CB 3.54Å; M63-E67 HydrophobicContact CE-CG 4.31Å; M63-V68 HydrophobicContact CB-CG2 3.92Å; M63-I71 HydrophobicContact CE-CD1 3.52Å; M63-I71 HydrophobicContact SD-CD1 3.9Å
64	S	92.3	Very high	91.1	Very high	54 Å²	54	50 Å²	50	38%	0.378	24%	0.242	S	C	.	.			trans	-69.6	155.4	173.9	69	0	0	0	0	111.2	Y66 E67 V68	S64-Y66 PolarHBondContact O-N 3.42Å; S64-E67 WeakPolarHBondContact CB-OE2 3.47Å; S64-E67 PolarHBondContact N-OE2 3.17Å; S64-E67 PolarHBondContact O-N 2.92Å; S64-E67 VanDerWaalsContact OG-CD 3.24Å; S64-E67 VanDerWaalsContact OG-CG 3.24Å; S64-E67 WeakPolarHBondContact OG-CG 3.23Å; S64-E67 PolarHBondContact OG-N 3.37Å; S64-E67 PolarHBondContact OG-OE2 3.15Å; S64-V68 WeakPolarHBondContact O-CG2 3.42Å; S64-V68 PolarHBondContact O-N 3.23Å; S64-V68 VanDerWaalsContact O-N 3.11Å
65	K	89.4	Confident	91.3	Very high	106 Å²	106	49.7 Å²	49.7	46%	0.461	24%	0.24	S	C	.	.	H	α-helix	trans	-54	-41.3	178.7	-178.1	173.6	171.9	173.7	0	112.4	T58 V68 E69	T58-K65 VanDerWaalsContact CG2-CA 3.48Å; T58-K65 HydrophobicContact CG2-CB 4.03Å; K65-V68 PolarHBondContact O-N 3.35Å; K65-E69 WeakPolarHBondContact CE-OE1 3.44Å; K65-E69 HydrophobicContact CG-CG 4.47Å; K65-E69 WeakPolarHBondContact CG-OE1 3.43Å; K65-E69 IonicContact NZ-OE1 3.14Å; K65-E69 WeakPolarHBondContact O-CG 3.48Å; K65-E69 PolarHBondContact O-N 3.35Å
66	Y	91.2	Very high	91.6	Very high	180 Å²	180	47.7 Å²	47.7	71%	0.706	23%	0.234	S	C	*	.	H	α-helix	trans	-62.9	-47	179.2	-62.9	-71.2	0	0	0	112.7	S64 V68 E69 D70	S64-Y66 PolarHBondContact O-N 3.42Å; Y66-V68 VanDerWaalsContact C-N 3.3Å; Y66-V68 PolarHBondContact O-N 2.87Å; Y66-E69 PolarHBondContact O-N 2.98Å; Y66-D70 PolarHBondContact O-N 3.49Å
67	E	93.5	Very high	91.7	Very high	93 Å²	93	55.3 Å²	55.3	44%	0.435	27%	0.267	S	S	.	.	H	α-helix	trans	-65.6	-37	179.7	-61.8	161.8	135.6	0	0	111.5	M63 S64 D70 I71	M63-E67 HydrophobicContact CB-CB 4.42Å; M63-E67 HydrophobicContact CE-CB 3.54Å; M63-E67 HydrophobicContact CE-CG 4.31Å; S64-E67 WeakPolarHBondContact CB-OE2 3.47Å; S64-E67 PolarHBondContact N-OE2 3.17Å; S64-E67 PolarHBondContact O-N 2.92Å; S64-E67 VanDerWaalsContact OG-CD 3.24Å; S64-E67 VanDerWaalsContact OG-CG 3.24Å; S64-E67 WeakPolarHBondContact OG-CG 3.23Å; S64-E67 PolarHBondContact OG-N 3.37Å; S64-E67 PolarHBondContact OG-OE2 3.15Å; E67-D70 PolarHBondContact O-N 3.35Å; E67-I71 WeakPolarHBondContact O-CD1 3.45Å; E67-I71 VanDerWaalsContact O-CG1 3.29Å; E67-I71 WeakPolarHBondContact O-CG1 3.44Å; E67-I71 PolarHBondContact O-N 3.05Å; E67-I71 VanDerWaalsContact O-N 3.08Å
68	V	93.2	Very high	91.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-46.2	174.4	173.7	0	0	0	0	110.8	P54 L57 T58 W61 M63 S64 K65 Y66 D70 I71 L72	P54-V68 HydrophobicContact CB-CG1 4.3Å; L57-V68 HydrophobicContact CB-CG1 3.65Å; L57-V68 HydrophobicContact CD1-CG1 4.29Å; T58-V68 HydrophobicContact CG2-CB 4.26Å; T58-V68 HydrophobicContact CG2-CG2 3.79Å; W61-V68 HydrophobicContact CE3-CG1 4.24Å; W61-V68 HydrophobicContact CE3-CG2 4.06Å; W61-V68 HydrophobicContact CZ3-CG1 4.06Å; M63-V68 HydrophobicContact CB-CG2 3.92Å; S64-V68 WeakPolarHBondContact O-CG2 3.42Å; S64-V68 PolarHBondContact O-N 3.23Å; S64-V68 VanDerWaalsContact O-N 3.11Å; K65-V68 PolarHBondContact O-N 3.35Å; Y66-V68 VanDerWaalsContact C-N 3.3Å; Y66-V68 PolarHBondContact O-N 2.87Å; V68-D70 VanDerWaalsContact C-N 3.33Å; V68-D70 PolarHBondContact O-N 3.33Å; V68-I71 PolarHBondContact O-N 3.14Å; V68-L72 HydrophobicContact CG1-CD1 3.83Å; V68-L72 HydrophobicContact CG1-CG 4.28Å; V68-L72 WeakPolarHBondContact O-CB 3.5Å; V68-L72 VanDerWaalsContact O-CG 3.23Å; V68-L72 WeakPolarHBondContact O-CG 3.29Å; V68-L72 PolarHBondContact O-N 3.37Å
69	E	91	Very high	91.5	Very high	42 Å²	42	61.9 Å²	61.9	20%	0.196	31%	0.305	C	S	.	.	H	α-helix	trans	-63.2	-36.5	178	-75.4	172.2	176.9	0	0	112.4	P54 K65 Y66 L72 S73	P54-E69 HydrophobicContact CB-CG 4.36Å; P54-E69 HydrophobicContact CG-CG 4.48Å; K65-E69 WeakPolarHBondContact CE-OE1 3.44Å; K65-E69 HydrophobicContact CG-CG 4.47Å; K65-E69 WeakPolarHBondContact CG-OE1 3.43Å; K65-E69 IonicContact NZ-OE1 3.14Å; K65-E69 WeakPolarHBondContact O-CG 3.48Å; K65-E69 PolarHBondContact O-N 3.35Å; Y66-E69 PolarHBondContact O-N 2.98Å; E69-L72 PolarHBondContact O-N 3.44Å; E69-S73 VanDerWaalsContact O-CB 3.28Å; E69-S73 WeakPolarHBondContact O-CB 3.46Å; E69-S73 PolarHBondContact O-N 3.03Å; E69-S73 PolarHBondContact O-OG 3.17Å
70	D	92.4	Very high	91.4	Very high	118 Å²	118	62 Å²	62	63%	0.631	31%	0.305	S	S	*	.	H	α-helix	trans	-64	-44.4	173.8	-76.2	-23.6	0	0	0	111.8	Y66 E67 V68 S73 E74	Y66-D70 PolarHBondContact O-N 3.49Å; E67-D70 PolarHBondContact O-N 3.35Å; V68-D70 VanDerWaalsContact C-N 3.33Å; V68-D70 PolarHBondContact O-N 3.33Å; D70-S73 PolarHBondContact O-N 3.09Å; D70-E74 PolarHBondContact O-N 2.93Å; D70-E74 VanDerWaalsContact O-N 3.08Å
71	I	93.2	Very high	91.3	Very high	19 Å²	19	61.9 Å²	61.9	10%	0.097	31%	0.305	C	S	.	.	H	α-helix	trans	-63	-46.6	176.1	-69	159	0	0	0	110.9	L36 L39 W61 M63 E67 V68 S73 E74 F75	L36-I71 HydrophobicContact CD2-CG1 4.25Å; L36-I71 HydrophobicContact CD2-CG2 4.03Å; L39-I71 HydrophobicContact CD1-CD1 3.75Å; L39-I71 HydrophobicContact CD1-CG1 4.45Å; L39-I71 HydrophobicContact CD1-CG2 4.37Å; W61-I71 HydrophobicContact CE3-CD1 4.43Å; W61-I71 HydrophobicContact CH2-CG2 4.12Å; W61-I71 HydrophobicContact CZ3-CB 4.37Å; W61-I71 HydrophobicContact CZ3-CD1 4.45Å; W61-I71 HydrophobicContact CZ3-CG2 3.93Å; M63-I71 HydrophobicContact CE-CD1 3.52Å; M63-I71 HydrophobicContact SD-CD1 3.9Å; E67-I71 WeakPolarHBondContact O-CD1 3.45Å; E67-I71 VanDerWaalsContact O-CG1 3.29Å; E67-I71 WeakPolarHBondContact O-CG1 3.44Å; E67-I71 PolarHBondContact O-N 3.05Å; E67-I71 VanDerWaalsContact O-N 3.08Å; V68-I71 PolarHBondContact O-N 3.14Å; I71-S73 VanDerWaalsContact C-N 3.3Å; I71-S73 PolarHBondContact O-N 3.31Å; I71-E74 WeakPolarHBondContact O-CB 3.48Å; I71-E74 PolarHBondContact O-N 3.05Å; I71-F75 HydrophobicContact CG2-CD2 3.99Å; I71-F75 HydrophobicContact CG2-CE2 3.41Å; I71-F75 VanDerWaalsContact CG2-CE2 3.41Å; I71-F75 HydrophobicContact CG2-CZ 3.77Å; I71-F75 PolarHBondContact O-N 3.44Å; I71-F75 VanDerWaalsContact O-N 3.08Å
72	L	92.5	Very high	91.1	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-62.4	-39.9	178.6	-69.7	172.9	0	0	0	111.4	P54 L57 V68 E69 E74 F75 V76 L81 Y96	P54-L72 HydrophobicContact CB-CD1 4.29Å; P54-L72 HydrophobicContact CG-CD1 4.09Å; L57-L72 HydrophobicContact CD1-CD1 4.08Å; L57-L72 HydrophobicContact CD1-CD2 3.72Å; L57-L72 HydrophobicContact CD1-CG 4.28Å; V68-L72 HydrophobicContact CG1-CD1 3.83Å; V68-L72 HydrophobicContact CG1-CG 4.28Å; V68-L72 WeakPolarHBondContact O-CB 3.5Å; V68-L72 VanDerWaalsContact O-CG 3.23Å; V68-L72 WeakPolarHBondContact O-CG 3.29Å; V68-L72 PolarHBondContact O-N 3.37Å; E69-L72 PolarHBondContact O-N 3.44Å; L72-E74 VanDerWaalsContact C-N 3.31Å; L72-E74 PolarHBondContact O-N 3.31Å; L72-F75 PolarHBondContact O-N 3.41Å; L72-V76 VanDerWaalsContact O-CG2 3.29Å; L72-V76 WeakPolarHBondContact O-CG2 3.29Å; L72-V76 PolarHBondContact O-N 3.24Å; L72-L81 HydrophobicContact CD2-CD1 3.44Å; L72-L81 VanDerWaalsContact CD2-CD1 3.44Å; L72-Y96 HydrophobicContact CB-CD1 4.05Å; L72-Y96 HydrophobicContact CB-CE1 3.7Å; L72-Y96 HydrophobicContact CB-CE2 4.46Å; L72-Y96 HydrophobicContact CD1-CD1 4.46Å; L72-Y96 HydrophobicContact CD1-CD2 3.77Å; L72-Y96 HydrophobicContact CD1-CE1 4.38Å; L72-Y96 HydrophobicContact CD1-CE2 3.72Å; L72-Y96 HydrophobicContact CD1-CG 4.17Å; L72-Y96 HydrophobicContact CD2-CD1 4.4Å; L72-Y96 HydrophobicContact CD2-CG 4.34Å
73	S	90.6	Very high	90.8	Very high	39 Å²	39	61.4 Å²	61.4	27%	0.273	30%	0.301	S	S	.	.	H	α-helix	trans	-61.3	-38.8	175.2	-64.8	0	0	0	0	112.1	E69 D70 I71 V76 K77	E69-S73 VanDerWaalsContact O-CB 3.28Å; E69-S73 WeakPolarHBondContact O-CB 3.46Å; E69-S73 PolarHBondContact O-N 3.03Å; E69-S73 PolarHBondContact O-OG 3.17Å; D70-S73 PolarHBondContact O-N 3.09Å; I71-S73 VanDerWaalsContact C-N 3.3Å; I71-S73 PolarHBondContact O-N 3.31Å; S73-V76 PolarHBondContact O-N 3.46Å; S73-K77 VanDerWaalsContact O-CG 3.28Å; S73-K77 WeakPolarHBondContact O-CG 2.81Å; S73-K77 PolarHBondContact O-N 3.35Å
74	E	91.6	Very high	89.9	Confident	53 Å²	53	62.8 Å²	62.8	25%	0.248	30%	0.303	C	S	.	.	H	α-helix	trans	-66.4	-41.1	175.3	-173.4	61.9	-166.2	0	0	112.1	L36 D70 I71 L72 V76 K77 R78	L36-E74 HydrophobicContact CD1-CG 4.14Å; D70-E74 PolarHBondContact O-N 2.93Å; D70-E74 VanDerWaalsContact O-N 3.08Å; I71-E74 WeakPolarHBondContact O-CB 3.48Å; I71-E74 PolarHBondContact O-N 3.05Å; L72-E74 VanDerWaalsContact C-N 3.31Å; L72-E74 PolarHBondContact O-N 3.31Å; E74-V76 VanDerWaalsContact C-N 3.34Å; E74-V76 PolarHBondContact O-N 2.84Å; E74-K77 PolarHBondContact O-N 3.12Å; E74-K77 IonicContact OE2-NZ 3.89Å; E74-R78 WeakPolarHBondContact O-CG 3.28Å; E74-R78 PolarHBondContact O-N 3.28Å; E74-R78 IonicContact OE1-CZ 3.45Å; E74-R78 IonicContact OE1-NE 2.92Å; E74-R78 PolarHBondContact OE1-NE 2.93Å; E74-R78 IonicContact OE1-NH2 3.05Å; E74-R78 PolarHBondContact OE1-NH2 2.97Å
75	F	92.7	Very high	88.6	Confident	0 Å²	0	65 Å²	65	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.1	-36.6	174	-66.2	-31.9	0	0	0	112.8	L32 L36 L39 Y40 W61 I71 L72 R78 A79 L80 L81	L32-F75 HydrophobicContact CD1-CE1 4.31Å; L32-F75 HydrophobicContact CD2-CD1 4.38Å; L32-F75 HydrophobicContact CD2-CE1 4.21Å; L36-F75 HydrophobicContact CB-CE1 4.21Å; L36-F75 HydrophobicContact CD2-CE1 4.4Å; L36-F75 HydrophobicContact CD2-CZ 4.4Å; L36-F75 WeakPolarHBondContact O-CZ 3.29Å; L39-F75 HydrophobicContact CB-CZ 4.38Å; Y40-F75 AromaticContact CD2-CD1 3.94Å; Y40-F75 HydrophobicContact CD2-CD1 3.94Å; Y40-F75 HydrophobicContact CD2-CD2 4.09Å; Y40-F75 AromaticContact CD2-CE1 3.95Å; Y40-F75 HydrophobicContact CD2-CE1 3.95Å; Y40-F75 HydrophobicContact CD2-CE2 4.08Å; Y40-F75 HydrophobicContact CD2-CG 4.03Å; Y40-F75 HydrophobicContact CD2-CZ 4.02Å; Y40-F75 HydrophobicContact CG-CE1 4.34Å; Y40-F75 HydrophobicContact CG-CZ 4.39Å; W61-F75 HydrophobicContact CH2-CE2 4.26Å; I71-F75 HydrophobicContact CG2-CD2 3.99Å; I71-F75 HydrophobicContact CG2-CE2 3.41Å; I71-F75 VanDerWaalsContact CG2-CE2 3.41Å; I71-F75 HydrophobicContact CG2-CZ 3.77Å; I71-F75 PolarHBondContact O-N 3.44Å; I71-F75 VanDerWaalsContact O-N 3.08Å; L72-F75 PolarHBondContact O-N 3.41Å; F75-R78 PolarHBondContact O-N 3.4Å; F75-A79 PolarHBondContact O-N 3.01Å; F75-L80 HydrophobicContact CB-CB 4.38Å; F75-L80 HydrophobicContact CD1-CD1 4.31Å; F75-L80 PolarHBondContact O-N 3.19Å; F75-L81 HydrophobicContact CB-CB 4.08Å; F75-L81 HydrophobicContact CB-CD1 3.69Å; F75-L81 HydrophobicContact CB-CG 3.94Å; F75-L81 HydrophobicContact CD2-CD1 3.74Å; F75-L81 HydrophobicContact CG-CD1 4.18Å; F75-L81 PolarHBondContact O-N 2.81Å
76	V	91.7	Very high	86.9	Confident	44 Å²	44	62.4 Å²	62.4	27%	0.267	30%	0.302	S	S	.	.	H	α-helix	trans	-67.1	-43.6	175.1	171.8	0	0	0	0	111.2	L72 S73 E74 R78 A79 L81 R83 Y96	L72-V76 VanDerWaalsContact O-CG2 3.29Å; L72-V76 WeakPolarHBondContact O-CG2 3.29Å; L72-V76 PolarHBondContact O-N 3.24Å; S73-V76 PolarHBondContact O-N 3.46Å; E74-V76 VanDerWaalsContact C-N 3.34Å; E74-V76 PolarHBondContact O-N 2.84Å; V76-R78 PolarHBondContact O-N 3.44Å; V76-A79 PolarHBondContact O-N 3.13Å; V76-L81 HydrophobicContact CG2-CB 3.9Å; V76-R83 HydrophobicContact CG1-CB 4.24Å; V76-R83 HydrophobicContact CG2-CB 3.96Å; V76-Y96 HydrophobicContact CG2-CD1 3.87Å; V76-Y96 HydrophobicContact CG2-CE1 3.84Å
77	K	90.7	Very high	84.7	Confident	162 Å²	162	55.9 Å²	55.9	70%	0.704	29%	0.29	S	S	*	.	H	α-helix	trans	-56.4	-32.9	175.3	-74.7	171.3	-168.1	168.4	0	112.5	S73 E74	S73-K77 VanDerWaalsContact O-CG 3.28Å; S73-K77 WeakPolarHBondContact O-CG 2.81Å; S73-K77 PolarHBondContact O-N 3.35Å; E74-K77 PolarHBondContact O-N 3.12Å; E74-K77 IonicContact OE2-NZ 3.89Å
78	R	89.2	Confident	82.1	Confident	86 Å²	86	58.4 Å²	58.4	33%	0.325	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	7.1	178.7	-63.9	177.5	-176.4	-132.6	5.1	114	D31 E74 F75 V76 L80	D31-R78 PolarHBondContact O-NH1 3.11Å; D31-R78 IonicContact OD2-NH1 3.88Å; D31-R78 PolarHBondContact OD2-NH1 2.69Å; D31-R78 VanDerWaalsContact OD2-NH1 3.14Å; E74-R78 WeakPolarHBondContact O-CG 3.28Å; E74-R78 PolarHBondContact O-N 3.28Å; E74-R78 IonicContact OE1-CZ 3.45Å; E74-R78 IonicContact OE1-NE 2.92Å; E74-R78 PolarHBondContact OE1-NE 2.93Å; E74-R78 IonicContact OE1-NH2 3.05Å; E74-R78 PolarHBondContact OE1-NH2 2.97Å; F75-R78 PolarHBondContact O-N 3.4Å; V76-R78 PolarHBondContact O-N 3.44Å; R78-L80 HydrophobicContact CB-CD1 4.19Å; R78-L80 HydrophobicContact CB-CG 4.08Å; R78-L80 PolarHBondContact O-N 3.24Å
79	A	88.3	Confident	79.5	Confident	74 Å²	74	66.7 Å²	66.7	61%	0.612	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	25.5	-176.7	0	0	0	0	0	114.6	F75 V76	F75-A79 PolarHBondContact O-N 3.01Å; V76-A79 PolarHBondContact O-N 3.13Å
80	L	88.8	Confident	77	Confident	7 Å²	7	69.6 Å²	69.6	4%	0.037	38%	0.381	C	S	.	.	S	Bend	trans	-88.1	-22.2	175.4	-65.4	178.2	0	0	0	112.4	L29 L32 Y40 F75 R78	L29-L80 HydrophobicContact CD2-CD1 3.83Å; L29-L80 HydrophobicContact CD2-CD2 3.81Å; L29-L80 HydrophobicContact CD2-CG 4.46Å; L32-L80 HydrophobicContact CD1-CD1 3.77Å; L32-L80 HydrophobicContact CD2-CD1 4.18Å; L32-L80 HydrophobicContact CG-CD1 4.28Å; Y40-L80 HydrophobicContact CD2-CB 4.36Å; Y40-L80 HydrophobicContact CD2-CD1 4.47Å; Y40-L80 HydrophobicContact CE2-CB 3.56Å; Y40-L80 HydrophobicContact CE2-CD1 4.35Å; Y40-L80 HydrophobicContact CE2-CG 4.47Å; Y40-L80 PolarHBondContact OH-O 2.88Å; F75-L80 HydrophobicContact CB-CB 4.38Å; F75-L80 HydrophobicContact CD1-CD1 4.31Å; F75-L80 PolarHBondContact O-N 3.19Å; R78-L80 HydrophobicContact CB-CD1 4.19Å; R78-L80 HydrophobicContact CB-CG 4.08Å; R78-L80 PolarHBondContact O-N 3.24Å
81	L	89.2	Confident	74.8	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.021	38%	0.379	C	S	.	.	S	Bend	trans	-129.9	153.3	171.3	-80.1	176.6	0	0	0	109.5	Y40 L43 L72 F75 V76 I98	Y40-L81 HydrophobicContact CE2-CG 4.5Å; L43-L81 HydrophobicContact CD1-CD1 4.36Å; L43-L81 HydrophobicContact CD1-CD2 4.4Å; L72-L81 HydrophobicContact CD2-CD1 3.44Å; L72-L81 VanDerWaalsContact CD2-CD1 3.44Å; F75-L81 HydrophobicContact CB-CB 4.08Å; F75-L81 HydrophobicContact CB-CD1 3.69Å; F75-L81 HydrophobicContact CB-CG 3.94Å; F75-L81 HydrophobicContact CD2-CD1 3.74Å; F75-L81 HydrophobicContact CG-CD1 4.18Å; F75-L81 PolarHBondContact O-N 2.81Å; V76-L81 HydrophobicContact CG2-CB 3.9Å; L81-I98 HydrophobicContact CD2-CB 4.26Å; L81-I98 HydrophobicContact CD2-CD1 4.39Å; L81-I98 HydrophobicContact CD2-CG1 3.3Å
82	I	87.1	Confident	72.6	Confident	60 Å²	60	71.9 Å²	71.9	31%	0.308	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123	173.1	-53.7	162.5	0	0	0	107.9	Y96 Y97 H99	I82-Y96 WeakPolarHBondContact O-CA 3.46Å; I82-Y97 HydrophobicContact CB-CD1 3.84Å; I82-Y97 HydrophobicContact CB-CD2 4.17Å; I82-Y97 HydrophobicContact CB-CE1 3.38Å; I82-Y97 HydrophobicContact CB-CE2 3.75Å; I82-Y97 HydrophobicContact CB-CG 4.23Å; I82-Y97 HydrophobicContact CD1-CD2 4.1Å; I82-Y97 HydrophobicContact CD1-CE1 4.44Å; I82-Y97 HydrophobicContact CD1-CE2 3.28Å; I82-Y97 VanDerWaalsContact CD1-CZ 3.49Å; I82-Y97 WeakPolarHBondContact CD1-OH 3.5Å; I82-Y97 HydrophobicContact CG1-CE1 4.49Å; I82-Y97 HydrophobicContact CG1-CE2 4.04Å; I82-Y97 HydrophobicContact CG2-CD1 4.17Å; I82-Y97 HydrophobicContact CG2-CE1 3.27Å; I82-Y97 HydrophobicContact CG2-CE2 4.21Å; I82-Y97 WeakPolarHBondContact CG2-OH 3.5Å; I82-Y97 PolarHBondContact N-O 2.89Å; I82-Y97 VanDerWaalsContact O-CD1 3.23Å; I82-Y97 WeakPolarHBondContact O-CD1 3.41Å; I82-Y97 PolarHBondContact O-N 2.99Å; I82-H99 HydrophobicContact CD1-CB 4.37Å
83	R	85.5	Confident	70.9	Confident	93 Å²	93	76.3 Å²	76.3	35%	0.351	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	135.1	175	178.2	176.6	163.3	145.2	1	109.2	V76 D85 E94 Y96	V76-R83 HydrophobicContact CG1-CB 4.24Å; V76-R83 HydrophobicContact CG2-CB 3.96Å; R83-D85 IonicContact CZ-OD1 2.69Å; R83-D85 IonicContact NE-OD1 3.19Å; R83-D85 PolarHBondContact NE-OD1 3.18Å; R83-D85 IonicContact NE-OD2 2.66Å; R83-D85 IonicContact NH2-OD1 3.9Å; R83-D85 PolarHBondContact NH2-OD1 2.89Å; R83-E94 IonicContact CZ-OE1 3.59Å; R83-E94 IonicContact CZ-OE2 3.73Å; R83-E94 IonicContact NH1-OE1 3.48Å; R83-E94 PolarHBondContact NH1-OE1 2.93Å; R83-E94 VanDerWaalsContact NH1-OE1 3.16Å; R83-E94 IonicContact NH1-OE2 3.63Å; R83-E94 PolarHBondContact NH1-OE2 3.31Å; R83-E94 IonicContact NH2-OE1 3.55Å; R83-E94 PolarHBondContact NH2-OE1 3.19Å; R83-E94 IonicContact NH2-OE2 3.22Å; R83-Y96 HydrophobicContact CB-CD1 4.18Å; R83-Y96 HydrophobicContact CB-CE1 3.98Å; R83-Y96 HydrophobicContact CG-CE1 4.04Å
84	R	73.2	Confident	69.8	Low	83 Å²	83	76.6 Å²	76.6	31%	0.313	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.3	172	-169.3	175	176.5	147.8	5.3	108.7	D86 A95 Y97	R84-D86 WeakPolarHBondContact CD-OD1 3.4Å; R84-D86 WeakPolarHBondContact CG-OD1 3.49Å; R84-D86 IonicContact CZ-OD1 2.72Å; R84-D86 IonicContact NE-OD1 2.92Å; R84-D86 PolarHBondContact NE-OD1 3.46Å; R84-D86 PolarHBondContact O-N 3.19Å; R84-A95 PolarHBondContact N-O 2.66Å; R84-A95 PolarHBondContact O-N 2.97Å; R84-Y97 HydrophobicContact CB-CE1 4.46Å
85	D	65.7	Low	69.1	Low	100 Å²	100	74.6 Å²	74.6	54%	0.535	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	93.6	170.6	-57.9	-36.2	0	0	0	106.6	R83 G87	R83-D85 IonicContact CZ-OD1 2.69Å; R83-D85 IonicContact NE-OD1 3.19Å; R83-D85 PolarHBondContact NE-OD1 3.18Å; R83-D85 IonicContact NE-OD2 2.66Å; R83-D85 IonicContact NH2-OD1 3.9Å; R83-D85 PolarHBondContact NH2-OD1 2.89Å; D85-G87 PolarHBondContact O-N 2.77Å
86	D	53.5	Low	68.7	Low	52 Å²	52	74.7 Å²	74.7	28%	0.278	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	102.5	168.9	-72.8	-29.3	0	0	0	106.7	R51 R84	R51-D86 IonicContact CZ-OD2 3.93Å; R51-D86 VanDerWaalsContact CZ-OD2 3.3Å; R51-D86 IonicContact NH1-OD2 3.94Å; R51-D86 PolarHBondContact NH1-OD2 2.95Å; R51-D86 IonicContact NH2-OD2 3.88Å; R84-D86 WeakPolarHBondContact CD-OD1 3.4Å; R84-D86 WeakPolarHBondContact CG-OD1 3.49Å; R84-D86 IonicContact CZ-OD1 2.72Å; R84-D86 IonicContact NE-OD1 2.92Å; R84-D86 PolarHBondContact NE-OD1 3.46Å; R84-D86 PolarHBondContact O-N 3.19Å
87	G	45.4	Very low	68.3	Low	44 Å²	44	76.5 Å²	76.5	45%	0.454	43%	0.426	S	S	.	.			trans	-147.1	95.7	-179.1	0	0	0	0	0	111.4	D85	D85-G87 PolarHBondContact O-N 2.77Å
88	D	38.5	Very low	68.1	Low	145 Å²	145	69.1 Å²	69.1	78%	0.775	39%	0.394	S	S	*	.	S	Bend	trans	-116.3	115.3	152.6	-74	-35.6	0	0	0	107.2	A90	D88-A90 PolarHBondContact O-N 2.92Å; D88-A90 VanDerWaalsContact O-N 3.09Å
89	D	37.9	Very low	67.8	Low	175 Å²	175	69 Å²	69	94%	0.936	40%	0.397	S	S	*	.	S	Bend	trans	56.4	0.4	160.2	-70.1	-15.4	0	0	0	125
90	A	39.4	Very low	67.3	Low	102 Å²	102	67.6 Å²	67.6	84%	0.843	38%	0.381	S	S	*	.	S	Bend	trans	-147.3	23.3	177.8	0	0	0	0	0	118.8	D88	D88-A90 PolarHBondContact O-N 2.92Å; D88-A90 VanDerWaalsContact O-N 3.09Å
91	G	46.1	Very low	67	Low	57 Å²	57	71.1 Å²	71.1	59%	0.588	40%	0.399	S	S	*	.			trans	135.4	114.9	171.9	0	0	0	0	0	111.5	V93	G91-V93 PolarHBondContact O-N 3.34Å
92	I	47	Very low	66.8	Low	128 Å²	128	72.4 Å²	72.4	66%	0.656	41%	0.406	S	S	*	.			trans	-69.4	99.3	178	-57.4	165.6	0	0	0	107.3	E94	I92-E94 HydrophobicContact CG2-CG 4.39Å
93	V	57.7	Low	66.6	Low	95 Å²	95	69.8 Å²	69.8	58%	0.576	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	103	168.6	-177	0	0	0	0	106.6	G91 A95	G91-V93 PolarHBondContact O-N 3.34Å; V93-A95 PolarHBondContact O-N 3.39Å
94	E	67.1	Low	66.3	Low	44 Å²	44	67.8 Å²	67.8	21%	0.206	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	123.7	174.8	-62.1	-169.4	175	0	0	110	P54 R83 I92 Y96	P54-E94 WeakPolarHBondContact CD-O 3.47Å; R83-E94 IonicContact CZ-OE1 3.59Å; R83-E94 IonicContact CZ-OE2 3.73Å; R83-E94 IonicContact NH1-OE1 3.48Å; R83-E94 PolarHBondContact NH1-OE1 2.93Å; R83-E94 VanDerWaalsContact NH1-OE1 3.16Å; R83-E94 IonicContact NH1-OE2 3.63Å; R83-E94 PolarHBondContact NH1-OE2 3.31Å; R83-E94 IonicContact NH2-OE1 3.55Å; R83-E94 PolarHBondContact NH2-OE1 3.19Å; R83-E94 IonicContact NH2-OE2 3.22Å; I92-E94 HydrophobicContact CG2-CG 4.39Å; E94-Y96 HydrophobicContact CB-CE2 4Å; E94-Y96 PolarHBondContact OE2-OH 3.19Å
95	A	75.9	Confident	66.8	Low	12 Å²	12	64.2 Å²	64.2	10%	0.099	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	134.4	177.8	0	0	0	0	0	110.6	R51 R84 V93	R51-A95 HydrophobicContact CB-CB 4.27Å; R84-A95 PolarHBondContact N-O 2.66Å; R84-A95 PolarHBondContact O-N 2.97Å; V93-A95 PolarHBondContact O-N 3.39Å
96	Y	85.7	Confident	67.7	Low	1 Å²	1	59.6 Å²	59.6	0%	0.004	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	142.3	178.2	-62.6	-98	0	0	0	109.5	I52 P54 L72 V76 I82 R83 E94	I52-Y96 PolarHBondContact N-O 3.16Å; I52-Y96 PolarHBondContact O-N 3.37Å; P54-Y96 HydrophobicContact CG-CD2 4.21Å; P54-Y96 HydrophobicContact CG-CE2 3.79Å; L72-Y96 HydrophobicContact CB-CD1 4.05Å; L72-Y96 HydrophobicContact CB-CE1 3.7Å; L72-Y96 HydrophobicContact CB-CE2 4.46Å; L72-Y96 HydrophobicContact CD1-CD1 4.46Å; L72-Y96 HydrophobicContact CD1-CD2 3.77Å; L72-Y96 HydrophobicContact CD1-CE1 4.38Å; L72-Y96 HydrophobicContact CD1-CE2 3.72Å; L72-Y96 HydrophobicContact CD1-CG 4.17Å; L72-Y96 HydrophobicContact CD2-CD1 4.4Å; L72-Y96 HydrophobicContact CD2-CG 4.34Å; V76-Y96 HydrophobicContact CG2-CD1 3.87Å; V76-Y96 HydrophobicContact CG2-CE1 3.84Å; I82-Y96 WeakPolarHBondContact O-CA 3.46Å; R83-Y96 HydrophobicContact CB-CD1 4.18Å; R83-Y96 HydrophobicContact CB-CE1 3.98Å; R83-Y96 HydrophobicContact CG-CE1 4.04Å; E94-Y96 HydrophobicContact CB-CE2 4Å; E94-Y96 PolarHBondContact OE2-OH 3.19Å
97	Y	83.3	Confident	69.1	Low	82 Å²	82	58.4 Å²	58.4	32%	0.322	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	145.9	174.1	71.4	-86.2	0	0	0	111.9	I82 R84	I82-Y97 HydrophobicContact CB-CD1 3.84Å; I82-Y97 HydrophobicContact CB-CD2 4.17Å; I82-Y97 HydrophobicContact CB-CE1 3.38Å; I82-Y97 HydrophobicContact CB-CE2 3.75Å; I82-Y97 HydrophobicContact CB-CG 4.23Å; I82-Y97 HydrophobicContact CD1-CD2 4.1Å; I82-Y97 HydrophobicContact CD1-CE1 4.44Å; I82-Y97 HydrophobicContact CD1-CE2 3.28Å; I82-Y97 VanDerWaalsContact CD1-CZ 3.49Å; I82-Y97 WeakPolarHBondContact CD1-OH 3.5Å; I82-Y97 HydrophobicContact CG1-CE1 4.49Å; I82-Y97 HydrophobicContact CG1-CE2 4.04Å; I82-Y97 HydrophobicContact CG2-CD1 4.17Å; I82-Y97 HydrophobicContact CG2-CE1 3.27Å; I82-Y97 HydrophobicContact CG2-CE2 4.21Å; I82-Y97 WeakPolarHBondContact CG2-OH 3.5Å; I82-Y97 PolarHBondContact N-O 2.89Å; I82-Y97 VanDerWaalsContact O-CD1 3.23Å; I82-Y97 WeakPolarHBondContact O-CD1 3.41Å; I82-Y97 PolarHBondContact O-N 2.99Å; R84-Y97 HydrophobicContact CB-CE1 4.46Å
98	I	85.1	Confident	70.8	Confident	7 Å²	7	61.2 Å²	61.2	4%	0.036	34%	0.343	C	S	.	.			trans	-95.5	128.5	174.2	-51.7	160.6	0	0	0	107.1	L43 I52 L81 T100 L102 H103	L43-I98 HydrophobicContact CB-CD1 3.74Å; L43-I98 HydrophobicContact CD1-CD1 4.03Å; L43-I98 HydrophobicContact CG-CD1 4.48Å; I52-I98 HydrophobicContact CD1-CD1 4.12Å; L81-I98 HydrophobicContact CD2-CB 4.26Å; L81-I98 HydrophobicContact CD2-CD1 4.39Å; L81-I98 HydrophobicContact CD2-CG1 3.3Å; I98-T100 PolarHBondContact O-N 2.88Å; I98-L102 HydrophobicContact CG2-CB 4.1Å; I98-H103 HydrophobicContact CB-CB 4.04Å; I98-H103 HydrophobicContact CG2-CB 3.64Å
99	H	83.9	Confident	73	Confident	84 Å²	84	58.1 Å²	58.1	39%	0.389	33%	0.326	S	S	.	.			trans	-56.5	133.8	173.9	-173.1	-87.6	0	0	0	110.4	I82 L101 L102 H103	I82-H99 HydrophobicContact CD1-CB 4.37Å; H99-L101 VanDerWaalsContact C-N 3.25Å; H99-L101 PolarHBondContact ND1-N 3.49Å; H99-L101 PolarHBondContact O-N 3.07Å; H99-L101 VanDerWaalsContact O-N 3.1Å; H99-L102 HydrophobicContact CB-CD1 4.37Å; H99-L102 PolarHBondContact O-N 2.99Å; H99-H103 PolarHBondContact O-N 3.46Å
100	T	78.5	Confident	75	Confident	45 Å²	45	51.7 Å²	51.7	28%	0.276	29%	0.29	S	S	.	.	H	α-helix	trans	-52.8	-41	-169.6	-47.7	0	0	0	0	113.1	L48 I98 H103 R104	L48-T100 HydrophobicContact CD1-CG2 4.48Å; I98-T100 PolarHBondContact O-N 2.88Å; T100-H103 PolarHBondContact O-N 3.07Å; T100-R104 WeakPolarHBondContact O-CG 3.33Å; T100-R104 PolarHBondContact O-N 3.46Å
101	L	81.5	Confident	77	Confident	81 Å²	81	53.2 Å²	53.2	42%	0.424	28%	0.279	S	S	.	.	H	α-helix	trans	-63.3	-45.8	177.2	-65	179.8	0	0	0	112.7	F21 H99 R104 V105	F21-L101 HydrophobicContact CE1-CB 3.71Å; F21-L101 HydrophobicContact CZ-CB 3.78Å; F21-L101 HydrophobicContact CZ-CD1 4.36Å; H99-L101 VanDerWaalsContact C-N 3.25Å; H99-L101 PolarHBondContact ND1-N 3.49Å; H99-L101 PolarHBondContact O-N 3.07Å; H99-L101 VanDerWaalsContact O-N 3.1Å; L101-R104 PolarHBondContact O-N 2.94Å; L101-V105 WeakPolarHBondContact O-CG2 3.4Å; L101-V105 PolarHBondContact O-N 3.45Å
102	L	84.7	Confident	78.6	Confident	31 Å²	31	53.6 Å²	53.6	16%	0.162	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-44	177.5	-71.8	174.9	0	0	0	110.4	F21 A25 I98 H99 R104 V105 V106	F21-L102 HydrophobicContact CZ-CD2 4.23Å; A25-L102 HydrophobicContact CB-CD2 3.88Å; I98-L102 HydrophobicContact CG2-CB 4.1Å; H99-L102 HydrophobicContact CB-CD1 4.37Å; H99-L102 PolarHBondContact O-N 2.99Å; L102-R104 VanDerWaalsContact C-N 3.29Å; L102-R104 PolarHBondContact O-N 3.23Å; L102-V105 WeakPolarHBondContact O-CB 3.48Å; L102-V105 PolarHBondContact O-N 3.11Å; L102-V106 WeakPolarHBondContact O-CG2 3.29Å; L102-V106 PolarHBondContact O-N 3.29Å
103	H	82.6	Confident	80.4	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.019	28%	0.275	C	S	.	.	H	α-helix	trans	-61.4	-38.5	179.1	-161.9	173.6	0	0	0	111.9	L43 F46 P47 L48 I98 H99 T100 V106 K107	L43-H103 PolarHBondContact O-NE2 3.38Å; F46-H103 PolarHBondContact O-CE1 3.23Å; F46-H103 PolarHBondContact O-NE2 3.48Å; F46-H103 VanDerWaalsContact O-NE2 3.15Å; P47-H103 PolarHBondContact O-CE1 3.39Å; P47-H103 VanDerWaalsContact O-CE1 3.3Å; L48-H103 HydrophobicContact CD2-CB 3.68Å; L48-H103 VanDerWaalsContact CD2-CG 3.49Å; I98-H103 HydrophobicContact CB-CB 4.04Å; I98-H103 HydrophobicContact CG2-CB 3.64Å; H99-H103 PolarHBondContact O-N 3.46Å; T100-H103 PolarHBondContact O-N 3.07Å; H103-V106 PolarHBondContact O-N 3.43Å; H103-K107 VanDerWaalsContact NE2-CE 3.32Å; H103-K107 WeakPolarHBondContact NE2-CE 3.1Å; H103-K107 WeakPolarHBondContact O-CB 2.99Å; H103-K107 WeakPolarHBondContact O-CG 3.41Å; H103-K107 PolarHBondContact O-N 3.32Å
104	R	80.2	Confident	81.8	Confident	52 Å²	52	53.3 Å²	53.3	20%	0.196	27%	0.267	C	S	.	.	H	α-helix	trans	-60.9	-43.9	172.6	-78.3	-178.6	179	165.1	8	111.8	L48 T100 L101 L102 K107 M108 N393 D396	L48-R104 HydrophobicContact CD1-CG 4.02Å; L48-R104 HydrophobicContact CD2-CG 4.18Å; T100-R104 WeakPolarHBondContact O-CG 3.33Å; T100-R104 PolarHBondContact O-N 3.46Å; L101-R104 PolarHBondContact O-N 2.94Å; L102-R104 VanDerWaalsContact C-N 3.29Å; L102-R104 PolarHBondContact O-N 3.23Å; R104-K107 PolarHBondContact O-N 3.02Å; R104-M108 WeakPolarHBondContact O-CB 3.37Å; R104-M108 VanDerWaalsContact O-CG 3.26Å; R104-M108 WeakPolarHBondContact O-CG 3.43Å; R104-M108 PolarHBondContact O-N 3.09Å; R104-N393 PolarHBondContact NE-OD1 3.22Å; R104-N393 VanDerWaalsContact NE-OD1 3.17Å; R104-D396 IonicContact NH2-OD2 2.89Å
105	V	83.4	Confident	82.6	Confident	7 Å²	7	54.5 Å²	54.5	4%	0.042	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-47.2	176.7	176.1	0	0	0	0	111.1	F21 N22 A25 L26 L101 L102 K107 M108 N109	F21-V105 HydrophobicContact CD1-CG2 3.98Å; F21-V105 HydrophobicContact CE1-CG2 3.82Å; N22-V105 WeakPolarHBondContact OD1-CG2 3.35Å; A25-V105 HydrophobicContact CB-CB 4.34Å; A25-V105 HydrophobicContact CB-CG1 4.01Å; A25-V105 HydrophobicContact CB-CG2 4.05Å; L26-V105 HydrophobicContact CD2-CG1 4.02Å; L26-V105 HydrophobicContact CG-CG1 3.99Å; L101-V105 WeakPolarHBondContact O-CG2 3.4Å; L101-V105 PolarHBondContact O-N 3.45Å; L102-V105 WeakPolarHBondContact O-CB 3.48Å; L102-V105 PolarHBondContact O-N 3.11Å; V105-K107 VanDerWaalsContact C-N 3.33Å; V105-K107 PolarHBondContact O-N 3.23Å; V105-M108 PolarHBondContact O-N 3.01Å; V105-N109 PolarHBondContact O-N 2.96Å
106	V	83.8	Confident	83.2	Confident	4 Å²	4	57.4 Å²	57.4	2%	0.024	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-43.5	178.8	-179.1	0	0	0	0	110.9	Y40 F41 A44 L102 H103 N109 F110	Y40-V106 HydrophobicContact CD1-CG2 4.05Å; Y40-V106 HydrophobicContact CE1-CG2 3.45Å; Y40-V106 VanDerWaalsContact CE1-CG2 3.45Å; F41-V106 HydrophobicContact CD1-CG1 3.79Å; F41-V106 HydrophobicContact CE1-CG1 4.37Å; A44-V106 HydrophobicContact CB-CG1 3.96Å; L102-V106 WeakPolarHBondContact O-CG2 3.29Å; L102-V106 PolarHBondContact O-N 3.29Å; H103-V106 PolarHBondContact O-N 3.43Å; V106-N109 WeakPolarHBondContact O-CB 3.37Å; V106-N109 PolarHBondContact O-N 2.93Å; V106-F110 WeakPolarHBondContact O-CD2 3.44Å
107	K	83.5	Confident	83.5	Confident	26 Å²	26	63.8 Å²	63.8	11%	0.113	31%	0.309	C	S	.	.	H	α-helix	trans	-67.8	-38.4	178	-80	-178	166.5	179.3	0	113.9	A44 F46 L48 H103 R104 V105 N109 F110	A44-K107 HydrophobicContact CB-CG 4.21Å; A44-K107 WeakPolarHBondContact O-CE 3.43Å; F46-K107 WeakPolarHBondContact O-CE 3.26Å; F46-K107 PolarHBondContact O-NZ 2.94Å; L48-K107 HydrophobicContact CD2-CD 4.14Å; H103-K107 VanDerWaalsContact NE2-CE 3.32Å; H103-K107 WeakPolarHBondContact NE2-CE 3.1Å; H103-K107 WeakPolarHBondContact O-CB 2.99Å; H103-K107 WeakPolarHBondContact O-CG 3.41Å; H103-K107 PolarHBondContact O-N 3.32Å; R104-K107 PolarHBondContact O-N 3.02Å; V105-K107 VanDerWaalsContact C-N 3.33Å; V105-K107 PolarHBondContact O-N 3.23Å; K107-N109 PolarHBondContact O-N 3.24Å; K107-F110 PolarHBondContact O-N 3Å
108	M	81.8	Confident	83.9	Confident	103 Å²	103	60.8 Å²	60.8	51%	0.507	30%	0.298	S	S	.	.	H	α-helix	trans	-67	-20	178.3	-76.5	179.3	176.5	0	0	112.7	R104 V105 F110	R104-M108 WeakPolarHBondContact O-CB 3.37Å; R104-M108 VanDerWaalsContact O-CG 3.26Å; R104-M108 WeakPolarHBondContact O-CG 3.43Å; R104-M108 PolarHBondContact O-N 3.09Å; V105-M108 PolarHBondContact O-N 3.01Å; M108-F110 PolarHBondContact O-N 3.04Å
109	N	83.2	Confident	84.2	Confident	81 Å²	81	60.8 Å²	60.8	43%	0.433	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-9.4	177.9	-159	47.2	0	0	0	113.7	F41 V105 V106 K107	F41-N109 HydrophobicContact CE1-CB 3.94Å; F41-N109 WeakPolarHBondContact CE1-ND2 3.44Å; F41-N109 VanDerWaalsContact CZ-ND2 3.28Å; F41-N109 WeakPolarHBondContact CZ-ND2 3.45Å; V105-N109 PolarHBondContact O-N 2.96Å; V106-N109 WeakPolarHBondContact O-CB 3.37Å; V106-N109 PolarHBondContact O-N 2.93Å; K107-N109 PolarHBondContact O-N 3.24Å
110	F	80.6	Confident	84.6	Confident	40 Å²	40	61.3 Å²	61.3	18%	0.175	30%	0.301	C	S	.	.	S	Bend	trans	-113.2	132	-179.5	-71.9	-78.4	0	0	0	111.9	F41 A44 V106 K107 M108 Q114 R115 L118	F41-F110 HydrophobicContact CB-CE2 3.85Å; F41-F110 HydrophobicContact CB-CZ 3.71Å; F41-F110 AromaticContact CD1-CE2 3.73Å; F41-F110 HydrophobicContact CD1-CE2 3.73Å; F41-F110 HydrophobicContact CD1-CZ 4.19Å; F41-F110 HydrophobicContact CG-CE2 4.16Å; F41-F110 HydrophobicContact CG-CZ 4.2Å; F41-F110 WeakPolarHBondContact O-CE2 3.48Å; A44-F110 HydrophobicContact CB-CD2 3.8Å; A44-F110 HydrophobicContact CB-CE2 3.77Å; V106-F110 WeakPolarHBondContact O-CD2 3.44Å; K107-F110 PolarHBondContact O-N 3Å; M108-F110 PolarHBondContact O-N 3.04Å; F110-Q114 HydrophobicContact CB-CB 4.38Å; F110-Q114 HydrophobicContact CD1-CB 3.85Å; F110-R115 HydrophobicContact CB-CG 3.46Å; F110-R115 VanDerWaalsContact CB-CG 3.46Å; F110-R115 HydrophobicContact CG-CG 4.36Å; F110-L118 HydrophobicContact CD1-CD1 4.3Å; F110-L118 HydrophobicContact CD2-CD1 4.37Å; F110-L118 HydrophobicContact CE1-CD1 4Å; F110-L118 HydrophobicContact CE2-CD1 4.07Å; F110-L118 HydrophobicContact CG-CD1 4.44Å; F110-L118 HydrophobicContact CZ-CD1 3.83Å
111	E	81.5	Confident	85.3	Confident	133 Å²	133	63.7 Å²	63.7	62%	0.621	31%	0.305	S	S	*	.			trans	-64.9	159.2	167.1	-66.2	-179.7	171.6	0	0	110.9	E113 Q114 R115	E111-E113 VanDerWaalsContact C-N 3.3Å; E111-E113 PolarHBondContact O-N 3.3Å; E111-Q114 HydrophobicContact CB-CG 4.39Å; E111-Q114 PolarHBondContact O-N 3.41Å; E111-Q114 VanDerWaalsContact O-N 3.11Å; E111-R115 PolarHBondContact O-N 3.12Å
112	A	79.9	Confident	85.8	Confident	66 Å²	66	59.8 Å²	59.8	55%	0.545	28%	0.284	S	S	.	.	H	α-helix	trans	-55.4	-43	-178.5	0	0	0	0	0	112.7	Q114 R115 Q116	A112-Q114 VanDerWaalsContact C-N 3.35Å; A112-Q114 PolarHBondContact O-N 3.24Å; A112-R115 PolarHBondContact O-N 3.35Å; A112-Q116 PolarHBondContact O-N 3.07Å
113	E	84.9	Confident	86.1	Confident	130 Å²	130	58.8 Å²	58.8	61%	0.607	28%	0.279	S	S	*	.	H	α-helix	trans	-64.3	-37.6	178.1	-64.4	-172	179.9	0	0	112.9	E111 Q116 K117	E111-E113 VanDerWaalsContact C-N 3.3Å; E111-E113 PolarHBondContact O-N 3.3Å; E113-Q116 WeakPolarHBondContact O-CB 3.43Å; E113-Q116 PolarHBondContact O-N 3.32Å; E113-K117 WeakPolarHBondContact O-CG 3.23Å; E113-K117 PolarHBondContact O-N 3.33Å; E113-K117 VanDerWaalsContact O-N 3.07Å
114	Q	86.7	Confident	86.5	Confident	87 Å²	87	60.9 Å²	60.9	41%	0.407	30%	0.297	S	S	.	.	H	α-helix	trans	-68.6	-41.8	178	-64.2	177.3	-11.8	0	0	110.5	F110 E111 A112 Q116 K117 L118	F110-Q114 HydrophobicContact CB-CB 4.38Å; F110-Q114 HydrophobicContact CD1-CB 3.85Å; E111-Q114 HydrophobicContact CB-CG 4.39Å; E111-Q114 PolarHBondContact O-N 3.41Å; E111-Q114 VanDerWaalsContact O-N 3.11Å; A112-Q114 VanDerWaalsContact C-N 3.35Å; A112-Q114 PolarHBondContact O-N 3.24Å; Q114-Q116 VanDerWaalsContact C-N 3.32Å; Q114-Q116 PolarHBondContact O-N 3.38Å; Q114-K117 PolarHBondContact O-N 2.98Å; Q114-L118 WeakPolarHBondContact O-CG 3.37Å; Q114-L118 PolarHBondContact O-N 3.39Å
115	R	84.3	Confident	86.9	Confident	68 Å²	68	58.6 Å²	58.6	26%	0.257	29%	0.29	S	S	.	.	H	α-helix	trans	-61.2	-41.4	173.7	-66.7	-171.9	-72.8	171.5	3.1	111.5	F110 E111 A112 K117 L118 H119 D392	F110-R115 HydrophobicContact CB-CG 3.46Å; F110-R115 VanDerWaalsContact CB-CG 3.46Å; F110-R115 HydrophobicContact CG-CG 4.36Å; E111-R115 PolarHBondContact O-N 3.12Å; A112-R115 PolarHBondContact O-N 3.35Å; R115-K117 VanDerWaalsContact C-N 3.33Å; R115-K117 PolarHBondContact O-N 3.2Å; R115-L118 WeakPolarHBondContact O-CB 3.19Å; R115-L118 PolarHBondContact O-N 2.98Å; R115-H119 PolarHBondContact O-CD2 3.45Å; R115-H119 PolarHBondContact O-N 3.17Å; R115-D392 IonicContact NH2-OD2 3.5Å
116	Q	88.5	Confident	87.2	Confident	73 Å²	73	58.4 Å²	58.4	34%	0.341	29%	0.288	S	S	.	.	H	α-helix	trans	-58.9	-43.9	175.6	-173.8	177.8	0.9	0	0	111.8	A112 E113 Q114 L118 H119 Q120 R153 S154	A112-Q116 PolarHBondContact O-N 3.07Å; E113-Q116 WeakPolarHBondContact O-CB 3.43Å; E113-Q116 PolarHBondContact O-N 3.32Å; Q114-Q116 VanDerWaalsContact C-N 3.32Å; Q114-Q116 PolarHBondContact O-N 3.38Å; Q116-L118 VanDerWaalsContact C-N 3.35Å; Q116-L118 PolarHBondContact O-N 3.25Å; Q116-H119 WeakPolarHBondContact O-CB 3.35Å; Q116-H119 PolarHBondContact O-N 3.3Å; Q116-Q120 WeakPolarHBondContact O-CG 3.36Å; Q116-Q120 PolarHBondContact O-N 2.9Å; Q116-R153 WeakPolarHBondContact CG-O 3.47Å; Q116-S154 VanDerWaalsContact CG-O 3.28Å; Q116-S154 WeakPolarHBondContact CG-O 3.31Å; Q116-S154 PolarHBondContact NE2-O 3.41Å
117	K	91.6	Very high	87.5	Confident	135 Å²	135	60.6 Å²	60.6	59%	0.587	30%	0.3	S	S	*	.	H	α-helix	trans	-63.1	-37.4	175.3	-71.7	175	-176.9	171.6	0	112.8	E113 Q114 R115 Q120 R121	E113-K117 WeakPolarHBondContact O-CG 3.23Å; E113-K117 PolarHBondContact O-N 3.33Å; E113-K117 VanDerWaalsContact O-N 3.07Å; Q114-K117 PolarHBondContact O-N 2.98Å; R115-K117 VanDerWaalsContact C-N 3.33Å; R115-K117 PolarHBondContact O-N 3.2Å; K117-Q120 PolarHBondContact O-N 3.42Å; K117-R121 PolarHBondContact O-N 3.09Å
118	L	91.1	Very high	87.7	Confident	19 Å²	19	64.6 Å²	64.6	10%	0.099	33%	0.326	C	S	.	.	H	α-helix	trans	-62	-43.9	173.7	-66.2	176.6	0	0	0	111.4	A44 F110 Q114 R115 Q116 Q120 R121 F122	A44-L118 HydrophobicContact CB-CD1 4.37Å; F110-L118 HydrophobicContact CD1-CD1 4.3Å; F110-L118 HydrophobicContact CD2-CD1 4.37Å; F110-L118 HydrophobicContact CE1-CD1 4Å; F110-L118 HydrophobicContact CE2-CD1 4.07Å; F110-L118 HydrophobicContact CG-CD1 4.44Å; F110-L118 HydrophobicContact CZ-CD1 3.83Å; Q114-L118 WeakPolarHBondContact O-CG 3.37Å; Q114-L118 PolarHBondContact O-N 3.39Å; R115-L118 WeakPolarHBondContact O-CB 3.19Å; R115-L118 PolarHBondContact O-N 2.98Å; Q116-L118 VanDerWaalsContact C-N 3.35Å; Q116-L118 PolarHBondContact O-N 3.25Å; L118-Q120 PolarHBondContact O-N 3.07Å; L118-R121 PolarHBondContact O-N 3.03Å; L118-F122 WeakPolarHBondContact O-CB 3.39Å; L118-F122 PolarHBondContact O-N 3.27Å
119	H	91.4	Very high	87.9	Confident	8 Å²	8	65.4 Å²	65.4	4%	0.037	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-41.5	175.2	-74.6	-66.4	0	0	0	112.8	V45 R115 Q116 F122 L123 Y149 H150 R153	V45-H119 VanDerWaalsContact CG2-CE1 3.43Å; V45-H119 WeakPolarHBondContact CG2-CE1 3.19Å; V45-H119 WeakPolarHBondContact CG2-ND1 3.28Å; V45-H119 PolarHBondContact O-CE1 3.34Å; V45-H119 VanDerWaalsContact O-CE1 3.23Å; R115-H119 PolarHBondContact O-CD2 3.45Å; R115-H119 PolarHBondContact O-N 3.17Å; Q116-H119 WeakPolarHBondContact O-CB 3.35Å; Q116-H119 PolarHBondContact O-N 3.3Å; H119-F122 PolarHBondContact O-N 2.88Å; H119-L123 WeakPolarHBondContact O-CB 3.41Å; H119-L123 WeakPolarHBondContact O-CG 3.19Å; H119-L123 PolarHBondContact O-N 2.9Å; H119-Y149 AromaticContact CE1-CE1 3.68Å; H119-H150 AromaticContact CE1-ND1 3.42Å; H119-H150 PolarHBondContact CE1-ND1 3.4Å; H119-H150 AromaticContact ND1-CG 3.94Å; H119-H150 AromaticContact ND1-ND1 3.05Å; H119-H150 PolarHBondContact ND1-ND1 2.96Å; H119-R153 WeakPolarHBondContact CD2-CB 3.22Å; H119-R153 WeakPolarHBondContact NE2-CB 3.43Å
120	Q	92.7	Very high	88	Confident	94 Å²	94	61.6 Å²	61.6	44%	0.439	30%	0.303	S	S	.	.	H	α-helix	trans	-62.3	-44.5	176.1	-71	173.9	-4.4	0	0	111.8	Q116 K117 L118 L123 A124 S154	Q116-Q120 WeakPolarHBondContact O-CG 3.36Å; Q116-Q120 PolarHBondContact O-N 2.9Å; K117-Q120 PolarHBondContact O-N 3.42Å; L118-Q120 PolarHBondContact O-N 3.07Å; Q120-L123 PolarHBondContact O-N 3.4Å; Q120-A124 WeakPolarHBondContact O-CB 3.41Å; Q120-A124 PolarHBondContact O-N 2.98Å; Q120-S154 PolarHBondContact NE2-O 3.03Å
121	R	93.2	Very high	88.2	Confident	95 Å²	95	66.2 Å²	66.2	36%	0.358	33%	0.33	S	S	.	.	H	α-helix	trans	-62.7	-43.8	175.8	-179.3	-177.8	139.6	-149.4	-6.9	111.8	D42 Y60 K117 L118 L123 A124 G125	D42-R121 VanDerWaalsContact CG-NH1 3.31Å; D42-R121 IonicContact OD1-CZ 2.94Å; D42-R121 IonicContact OD1-NH1 3.76Å; D42-R121 PolarHBondContact OD1-NH1 2.95Å; D42-R121 IonicContact OD1-NH2 3.65Å; D42-R121 IonicContact OD2-CZ 3.14Å; D42-R121 IonicContact OD2-NH1 2.7Å; D42-R121 PolarHBondContact OD2-NH1 2.92Å; D42-R121 VanDerWaalsContact OD2-NH1 3.14Å; D42-R121 IonicContact OD2-NH2 3.35Å; D42-R121 PolarHBondContact OD2-NH2 3.31Å; Y60-R121 HydrophobicContact CE2-CG 4.18Å; K117-R121 PolarHBondContact O-N 3.09Å; L118-R121 PolarHBondContact O-N 3.03Å; R121-L123 PolarHBondContact O-N 2.8Å; R121-A124 PolarHBondContact O-N 3.46Å; R121-G125 PolarHBondContact O-N 3.24Å
122	F	92.4	Very high	88.1	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-58.5	-47.6	176.9	176.5	-95	0	0	0	111.9	V45 F46 V56 Y60 L118 H119 G125 Y126 Y142 I143 H150	V45-F122 HydrophobicContact CG1-CD2 4.35Å; V45-F122 HydrophobicContact CG2-CB 4.14Å; V45-F122 HydrophobicContact CG2-CG 4.39Å; F46-F122 HydrophobicContact CE1-CE2 4.47Å; F46-F122 HydrophobicContact CZ-CE2 4.36Å; V56-F122 HydrophobicContact CG1-CE2 3.83Å; V56-F122 HydrophobicContact CG1-CZ 3.94Å; Y60-F122 AromaticContact CD1-CD2 3.9Å; Y60-F122 HydrophobicContact CD1-CD2 3.9Å; Y60-F122 HydrophobicContact CD2-CB 3.91Å; Y60-F122 AromaticContact CD2-CD2 3.7Å; Y60-F122 HydrophobicContact CD2-CD2 3.7Å; Y60-F122 HydrophobicContact CD2-CG 4.28Å; Y60-F122 HydrophobicContact CE1-CD2 4.33Å; Y60-F122 HydrophobicContact CE2-CB 3.74Å; Y60-F122 HydrophobicContact CE2-CD2 4.18Å; Y60-F122 HydrophobicContact CE2-CG 4.49Å; Y60-F122 AromaticContact CG-CD2 3.55Å; Y60-F122 HydrophobicContact CG-CD2 3.55Å; Y60-F122 HydrophobicContact CG-CE2 4.24Å; L118-F122 WeakPolarHBondContact O-CB 3.39Å; L118-F122 PolarHBondContact O-N 3.27Å; H119-F122 PolarHBondContact O-N 2.88Å; F122-G125 PolarHBondContact O-N 3.24Å; F122-Y126 HydrophobicContact CE1-CD2 4Å; F122-Y126 AromaticContact CE1-CE2 3.95Å; F122-Y126 HydrophobicContact CE1-CE2 3.95Å; F122-Y126 HydrophobicContact CE2-CD2 4.39Å; F122-Y126 AromaticContact CE2-CE2 3.85Å; F122-Y126 HydrophobicContact CE2-CE2 3.85Å; F122-Y126 AromaticContact CZ-CD2 3.93Å; F122-Y126 HydrophobicContact CZ-CD2 3.93Å; F122-Y126 AromaticContact CZ-CE2 3.42Å; F122-Y126 HydrophobicContact CZ-CE2 3.42Å; F122-Y126 VanDerWaalsContact CZ-CE2 3.42Å; F122-Y142 HydrophobicContact CE1-CE1 4.48Å; F122-Y142 HydrophobicContact CZ-CD1 4.44Å; F122-Y142 AromaticContact CZ-CE1 3.87Å; F122-Y142 HydrophobicContact CZ-CE1 3.87Å; F122-I143 HydrophobicContact CE1-CD1 3.81Å; F122-I143 HydrophobicContact CZ-CD1 4.3Å; F122-H150 HydrophobicContact CD1-CB 4.35Å; F122-H150 AromaticContact CD1-CD2 3.77Å; F122-H150 AromaticContact CD1-CG 3.84Å; F122-H150 AromaticContact CD1-NE2 3.97Å; F122-H150 AromaticContact CE1-CD2 3.29Å; F122-H150 WeakPolarHBondContact CE1-CD2 3.41Å; F122-H150 AromaticContact CE1-CE1 4Å; F122-H150 AromaticContact CE1-CG 3.86Å; F122-H150 AromaticContact CE1-NE2 3.4Å; F122-H150 WeakPolarHBondContact CE1-NE2 3.3Å; F122-H150 AromaticContact CZ-NE2 3.86Å
123	L	91.5	Very high	88.3	Confident	9 Å²	9	63.4 Å²	63.4	5%	0.047	32%	0.318	C	S	.	.	H	α-helix	trans	-66.2	-37.1	178.5	-73.1	169.4	0	0	0	112.7	H119 Q120 R121 G125 Y126 L127 W134 H150 L151	H119-L123 WeakPolarHBondContact O-CB 3.41Å; H119-L123 WeakPolarHBondContact O-CG 3.19Å; H119-L123 PolarHBondContact O-N 2.9Å; Q120-L123 PolarHBondContact O-N 3.4Å; R121-L123 PolarHBondContact O-N 2.8Å; L123-G125 VanDerWaalsContact C-N 3.34Å; L123-G125 PolarHBondContact O-N 2.97Å; L123-Y126 PolarHBondContact O-N 2.85Å; L123-L127 WeakPolarHBondContact O-CB 3.43Å; L123-L127 PolarHBondContact O-N 3.4Å; L123-W134 HydrophobicContact CB-CH2 4.23Å; L123-W134 HydrophobicContact CD2-CH2 4.09Å; L123-W134 HydrophobicContact CD2-CZ3 4Å; L123-H150 HydrophobicContact CD1-CB 4.2Å; L123-H150 HydrophobicContact CD2-CB 3.83Å; L123-H150 HydrophobicContact CG-CB 4.01Å; L123-L151 HydrophobicContact CD1-CD2 3.85Å; L123-L151 HydrophobicContact CD1-CG 4.32Å; L123-L151 HydrophobicContact CD2-CD2 4.38Å; L123-L151 HydrophobicContact CD2-CG 4.41Å
124	A	91.3	Very high	88.1	Confident	49 Å²	49	58.7 Å²	58.7	41%	0.405	30%	0.295	S	S	.	.	H	α-helix	trans	-59.3	-43	176.9	0	0	0	0	0	112	Q120 R121 Y126 L127 T128	Q120-A124 WeakPolarHBondContact O-CB 3.41Å; Q120-A124 PolarHBondContact O-N 2.98Å; R121-A124 PolarHBondContact O-N 3.46Å; A124-Y126 VanDerWaalsContact C-N 3.28Å; A124-Y126 PolarHBondContact O-N 3.28Å; A124-L127 PolarHBondContact O-N 3.05Å; A124-T128 PolarHBondContact O-N 3.25Å; A124-T128 PolarHBondContact O-OG1 2.86Å
125	G	88.6	Confident	87.6	Confident	4 Å²	4	57.5 Å²	57.5	4%	0.041	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-32.4	178.2	0	0	0	0	0	114	R121 F122 L123 R129	R121-G125 PolarHBondContact O-N 3.24Å; F122-G125 PolarHBondContact O-N 3.24Å; L123-G125 VanDerWaalsContact C-N 3.34Å; L123-G125 PolarHBondContact O-N 2.97Å; G125-R129 PolarHBondContact O-NH1 3.49Å
126	Y	89.4	Confident	87.5	Confident	3 Å²	3	58.2 Å²	58.2	1%	0.012	30%	0.298	C	S	.	.	H	α-helix	trans	-75.6	-42	172.9	-91	-81.5	0	0	0	112.3	V56 V59 F122 L123 A124 T128 R129 A130 L137 H140 I143	V56-Y126 HydrophobicContact CG1-CE2 4.48Å; V59-Y126 HydrophobicContact CB-CD2 4.39Å; V59-Y126 HydrophobicContact CB-CE1 4.32Å; V59-Y126 HydrophobicContact CB-CE2 3.9Å; V59-Y126 HydrophobicContact CG1-CD1 3.86Å; V59-Y126 HydrophobicContact CG1-CD2 3.44Å; V59-Y126 VanDerWaalsContact CG1-CD2 3.44Å; V59-Y126 HydrophobicContact CG1-CE1 3.89Å; V59-Y126 HydrophobicContact CG1-CE2 3.44Å; V59-Y126 VanDerWaalsContact CG1-CE2 3.44Å; V59-Y126 HydrophobicContact CG1-CG 3.65Å; V59-Y126 HydrophobicContact CG2-CE1 4.22Å; F122-Y126 HydrophobicContact CE1-CD2 4Å; F122-Y126 AromaticContact CE1-CE2 3.95Å; F122-Y126 HydrophobicContact CE1-CE2 3.95Å; F122-Y126 HydrophobicContact CE2-CD2 4.39Å; F122-Y126 AromaticContact CE2-CE2 3.85Å; F122-Y126 HydrophobicContact CE2-CE2 3.85Å; F122-Y126 AromaticContact CZ-CD2 3.93Å; F122-Y126 HydrophobicContact CZ-CD2 3.93Å; F122-Y126 AromaticContact CZ-CE2 3.42Å; F122-Y126 HydrophobicContact CZ-CE2 3.42Å; F122-Y126 VanDerWaalsContact CZ-CE2 3.42Å; L123-Y126 PolarHBondContact O-N 2.85Å; A124-Y126 VanDerWaalsContact C-N 3.28Å; A124-Y126 PolarHBondContact O-N 3.28Å; Y126-T128 PolarHBondContact O-N 3.31Å; Y126-R129 PolarHBondContact O-N 3.22Å; Y126-A130 WeakPolarHBondContact O-CB 3.22Å; Y126-A130 PolarHBondContact O-N 3.37Å; Y126-A130 VanDerWaalsContact O-N 3.15Å; Y126-L137 HydrophobicContact CD1-CD2 3.92Å; Y126-L137 HydrophobicContact CG-CD2 4.28Å; Y126-H140 AromaticContact CE1-ND1 3.87Å; Y126-H140 AromaticContact CZ-ND1 3.98Å; Y126-H140 PolarHBondContact OH-ND1 3.41Å; Y126-I143 HydrophobicContact CD1-CB 4.29Å; Y126-I143 HydrophobicContact CD1-CD1 4.35Å; Y126-I143 HydrophobicContact CD1-CG1 3.86Å; Y126-I143 HydrophobicContact CD1-CG2 4.33Å; Y126-I143 HydrophobicContact CD2-CD1 4.02Å; Y126-I143 HydrophobicContact CD2-CG1 4.42Å; Y126-I143 HydrophobicContact CE1-CB 3.76Å; Y126-I143 HydrophobicContact CE1-CD1 4.41Å; Y126-I143 HydrophobicContact CE1-CG1 3.85Å; Y126-I143 HydrophobicContact CE1-CG2 3.8Å; Y126-I143 HydrophobicContact CE2-CD1 4.11Å; Y126-I143 HydrophobicContact CE2-CG1 4.43Å; Y126-I143 HydrophobicContact CG-CD1 4.16Å; Y126-I143 HydrophobicContact CG-CG1 4.15Å
127	L	89	Confident	87.3	Confident	50 Å²	50	54.8 Å²	54.8	26%	0.262	28%	0.282	S	S	.	.	H	α-helix	trans	-66.6	-37.4	-178.1	-167.6	65.1	0	0	0	112	L123 A124 R129 A130 D131 G132 W134	L123-L127 WeakPolarHBondContact O-CB 3.43Å; L123-L127 PolarHBondContact O-N 3.4Å; A124-L127 PolarHBondContact O-N 3.05Å; L127-R129 VanDerWaalsContact C-N 3.3Å; L127-R129 PolarHBondContact O-N 2.67Å; L127-A130 CarbonylContact O-C 3.56Å; L127-A130 PolarHBondContact O-N 3.38Å; L127-A130 VanDerWaalsContact O-N 3.14Å; L127-D131 PolarHBondContact O-N 3.29Å; L127-G132 PolarHBondContact O-N 2.97Å; L127-W134 HydrophobicContact CD1-CD2 3.95Å; L127-W134 HydrophobicContact CD1-CE3 4.12Å; L127-W134 HydrophobicContact CD1-CG 4.48Å; L127-W134 HydrophobicContact CD1-CH2 4.29Å; L127-W134 HydrophobicContact CD1-CZ2 4.13Å; L127-W134 HydrophobicContact CD1-CZ3 4.29Å; L127-W134 HydrophobicContact CD2-CZ2 4.3Å
128	T	88.2	Confident	86.8	Confident	109 Å²	109	50.1 Å²	50.1	67%	0.669	27%	0.268	S	S	*	.	H	α-helix	trans	-61.9	-36.9	174.2	-54.6	0	0	0	0	112.1	A124 Y126 A130	A124-T128 PolarHBondContact O-N 3.25Å; A124-T128 PolarHBondContact O-OG1 2.86Å; Y126-T128 PolarHBondContact O-N 3.31Å; T128-A130 VanDerWaalsContact C-N 3.3Å
129	R	86.7	Confident	86.1	Confident	120 Å²	120	54.1 Å²	54.1	45%	0.453	29%	0.29	S	S	.	.	H	α-helix	trans	-77.2	-16.1	176.2	-74.3	-176.1	173.1	88.6	-13.2	113.8	T58 V59 G125 Y126 L127	T58-R129 PolarHBondContact O-NH2 2.9Å; V59-R129 VanDerWaalsContact CA-CZ 3.49Å; V59-R129 PolarHBondContact O-NH1 3.39Å; G125-R129 PolarHBondContact O-NH1 3.49Å; Y126-R129 PolarHBondContact O-N 3.22Å; L127-R129 VanDerWaalsContact C-N 3.3Å; L127-R129 PolarHBondContact O-N 2.67Å
130	A	84.4	Confident	85.5	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.008	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	19.3	-178.1	0	0	0	0	0	112.8	Y126 L127 T128 G132 Q133 N136 L137	Y126-A130 WeakPolarHBondContact O-CB 3.22Å; Y126-A130 PolarHBondContact O-N 3.37Å; Y126-A130 VanDerWaalsContact O-N 3.15Å; L127-A130 CarbonylContact O-C 3.56Å; L127-A130 PolarHBondContact O-N 3.38Å; L127-A130 VanDerWaalsContact O-N 3.14Å; T128-A130 VanDerWaalsContact C-N 3.3Å; A130-G132 PolarHBondContact O-N 3.11Å; A130-G132 VanDerWaalsContact O-N 3.15Å; A130-Q133 WeakPolarHBondContact CB-O 3.36Å; A130-Q133 PolarHBondContact O-N 3.05Å; A130-N136 HydrophobicContact CB-CB 4.22Å; A130-N136 WeakPolarHBondContact CB-O 3.47Å; A130-L137 HydrophobicContact CB-CD2 4.22Å
131	D	84.6	Confident	84.9	Confident	137 Å²	137	53.5 Å²	53.5	73%	0.733	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	33.2	-178.2	-60.5	-35.9	0	0	0	114.2	L127 Q133	L127-D131 PolarHBondContact O-N 3.29Å; D131-Q133 VanDerWaalsContact C-N 3.26Å; D131-Q133 PolarHBondContact O-N 3.4Å
132	G	80.5	Confident	84.5	Confident	46 Å²	46	49.8 Å²	49.8	47%	0.474	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	1.6	-178.7	0	0	0	0	0	114.9	L127 A130	L127-G132 PolarHBondContact O-N 2.97Å; A130-G132 PolarHBondContact O-N 3.11Å; A130-G132 VanDerWaalsContact O-N 3.15Å
133	Q	82.6	Confident	84.2	Confident	94 Å²	94	49.9 Å²	49.9	44%	0.439	28%	0.277	S	S	.	.			trans	-114.8	118	-176.2	-67.5	-177.6	-15.2	0	0	111.8	A130 D131 H135 N136	A130-Q133 WeakPolarHBondContact CB-O 3.36Å; A130-Q133 PolarHBondContact O-N 3.05Å; D131-Q133 VanDerWaalsContact C-N 3.26Å; D131-Q133 PolarHBondContact O-N 3.4Å; Q133-H135 PolarHBondContact O-N 3.23Å; Q133-H135 VanDerWaalsContact O-N 3.09Å; Q133-H135 PolarHBondContact OE1-CE1 2.77Å; Q133-H135 PolarHBondContact OE1-NE2 2.9Å; Q133-N136 PolarHBondContact O-N 3.42Å
134	W	81.6	Confident	83.9	Confident	32 Å²	32	49.4 Å²	49.4	12%	0.121	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-61.1	-23	-177.4	-61.9	109.5	0	0	0	115.1	L123 L127 N136 L137 L151 A159 V163	L123-W134 HydrophobicContact CB-CH2 4.23Å; L123-W134 HydrophobicContact CD2-CH2 4.09Å; L123-W134 HydrophobicContact CD2-CZ3 4Å; L127-W134 HydrophobicContact CD1-CD2 3.95Å; L127-W134 HydrophobicContact CD1-CE3 4.12Å; L127-W134 HydrophobicContact CD1-CG 4.48Å; L127-W134 HydrophobicContact CD1-CH2 4.29Å; L127-W134 HydrophobicContact CD1-CZ2 4.13Å; L127-W134 HydrophobicContact CD1-CZ3 4.29Å; L127-W134 HydrophobicContact CD2-CZ2 4.3Å; W134-N136 VanDerWaalsContact C-N 3.28Å; W134-N136 PolarHBondContact O-N 3.28Å; W134-L137 HydrophobicContact CE3-CD1 4.34Å; W134-L137 VanDerWaalsContact O-CD1 3.28Å; W134-L137 WeakPolarHBondContact O-CD1 3.32Å; W134-L137 WeakPolarHBondContact O-CG 3.45Å; W134-L151 HydrophobicContact CH2-CD2 3.84Å; W134-L151 HydrophobicContact CZ2-CD2 3.92Å; W134-L151 HydrophobicContact CZ3-CD2 4.46Å; W134-A159 HydrophobicContact CZ2-CB 4.18Å; W134-V163 HydrophobicContact CB-CG2 3.61Å; W134-V163 HydrophobicContact CD2-CG2 3.93Å; W134-V163 HydrophobicContact CE3-CG2 4.4Å; W134-V163 HydrophobicContact CG-CG2 3.57Å
135	H	76.4	Confident	83.5	Confident	61 Å²	61	48.4 Å²	48.4	28%	0.282	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-77.9	-13.8	177.7	59.1	73.1	0	0	0	113.5	Q133 N166 F169	Q133-H135 PolarHBondContact O-N 3.23Å; Q133-H135 VanDerWaalsContact O-N 3.09Å; Q133-H135 PolarHBondContact OE1-CE1 2.77Å; Q133-H135 PolarHBondContact OE1-NE2 2.9Å; H135-N166 PolarHBondContact CD2-ND2 2.82Å; H135-F169 HydrophobicContact CB-CB 4.25Å
136	N	82.2	Confident	83.4	Confident	84 Å²	84	48.6 Å²	48.6	45%	0.449	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-96	19.9	177.2	-89.9	6.6	0	0	0	113.3	A130 Q133 W134	A130-N136 HydrophobicContact CB-CB 4.22Å; A130-N136 WeakPolarHBondContact CB-O 3.47Å; Q133-N136 PolarHBondContact O-N 3.42Å; W134-N136 VanDerWaalsContact C-N 3.28Å; W134-N136 PolarHBondContact O-N 3.28Å
137	L	83.8	Confident	83.3	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.263	C	S	.	.			trans	-59.4	145.2	174.4	-71.2	168.9	0	0	0	111.7	Y126 A130 W134 I143 V147 F169 K172	Y126-L137 HydrophobicContact CD1-CD2 3.92Å; Y126-L137 HydrophobicContact CG-CD2 4.28Å; A130-L137 HydrophobicContact CB-CD2 4.22Å; W134-L137 HydrophobicContact CE3-CD1 4.34Å; W134-L137 VanDerWaalsContact O-CD1 3.28Å; W134-L137 WeakPolarHBondContact O-CD1 3.32Å; W134-L137 WeakPolarHBondContact O-CG 3.45Å; L137-I143 HydrophobicContact CD1-CG1 4.27Å; L137-V147 HydrophobicContact CD1-CG2 4.44Å; L137-F169 HydrophobicContact CD1-CD2 4.43Å; L137-F169 HydrophobicContact CD1-CE2 3.91Å; L137-K172 PolarHBondContact O-NZ 3.3Å
138	A	80.7	Confident	83.2	Confident	36 Å²	36	46 Å²	46	30%	0.298	25%	0.25	S	S	.	.			trans	-57.9	147.4	173.7	0	0	0	0	0	111.2	H140 H144	A138-H140 PolarHBondContact O-N 3.29Å; A138-H144 PolarHBondContact O-NE2 3.4Å
139	D	77.6	Confident	83.1	Confident	103 Å²	103	41.4 Å²	41.4	55%	0.551	22%	0.22	S	C	*	.			trans	-73.8	35.3	-173.4	-61.9	38.4	0	0	0	112.9	K172	D139-K172 WeakPolarHBondContact OD1-CE 3.41Å; D139-K172 IonicContact OD1-NZ 3.19Å; D139-K172 PolarHBondContact OD1-NZ 2.85Å; D139-K172 VanDerWaalsContact OD2-CE 3.29Å; D139-K172 WeakPolarHBondContact OD2-CE 3.05Å; D139-K172 IonicContact OD2-NZ 3.72Å
140	H	78.4	Confident	83.3	Confident	35 Å²	35	35.7 Å²	35.7	16%	0.162	20%	0.199	C	C	.	.			trans	-79.2	122.2	175.3	-55.5	167.3	0	0	0	109.1	E55 Y126 A138 Y142 I143 H144	E55-H140 PolarHBondContact O-CE1 3.43Å; E55-H140 VanDerWaalsContact O-CE1 3.31Å; E55-H140 IonicContact OE2-CD2 3.16Å; Y126-H140 AromaticContact CE1-ND1 3.87Å; Y126-H140 AromaticContact CZ-ND1 3.98Å; Y126-H140 PolarHBondContact OH-ND1 3.41Å; A138-H140 PolarHBondContact O-N 3.29Å; H140-Y142 PolarHBondContact O-N 2.99Å; H140-Y142 VanDerWaalsContact O-N 3.11Å; H140-I143 HydrophobicContact CB-CG2 4.11Å; H140-I143 WeakPolarHBondContact O-CG2 3.48Å; H140-I143 PolarHBondContact O-N 3.41Å; H140-H144 PolarHBondContact O-CD2 3.5Å; H140-H144 PolarHBondContact O-N 2.61Å
141	V	78.9	Confident	83.5	Confident	55 Å²	55	35.7 Å²	35.7	33%	0.333	20%	0.199	S	C	.	.	H	α-helix	trans	-54.6	-36.2	178.7	179.6	0	0	0	0	111.6	T145	V141-T145 WeakPolarHBondContact O-CB 3.42Å; V141-T145 PolarHBondContact O-N 3.45Å; V141-T145 VanDerWaalsContact O-N 3.07Å; V141-T145 PolarHBondContact O-OG1 3.23Å
142	Y	84.9	Confident	83.7	Confident	17 Å²	17	31.1 Å²	31.1	7%	0.067	17%	0.172	C	C	.	.	H	α-helix	trans	-59.2	-53.8	179.3	179.3	-87.8	0	0	0	112.8	F46 P47 V50 V56 F122 H140 H144 T145 F146 H150	F46-Y142 HydrophobicContact CD1-CE1 4.18Å; F46-Y142 AromaticContact CD1-CE2 3.71Å; F46-Y142 HydrophobicContact CD1-CE2 3.71Å; F46-Y142 AromaticContact CD1-CZ 3.4Å; F46-Y142 VanDerWaalsContact CD1-CZ 3.4Å; F46-Y142 WeakPolarHBondContact CD1-OH 3.41Å; F46-Y142 AromaticContact CE1-CE1 3.87Å; F46-Y142 HydrophobicContact CE1-CE1 3.87Å; F46-Y142 HydrophobicContact CE1-CE2 4.01Å; F46-Y142 AromaticContact CE1-CZ 3.57Å; P47-Y142 WeakPolarHBondContact CD-OH 3.5Å; V50-Y142 HydrophobicContact CG1-CD2 3.97Å; V50-Y142 HydrophobicContact CG1-CE2 3.61Å; V56-Y142 HydrophobicContact CB-CD1 4.48Å; V56-Y142 HydrophobicContact CG1-CD1 3.72Å; V56-Y142 HydrophobicContact CG1-CE1 4.06Å; V56-Y142 HydrophobicContact CG1-CG 4.33Å; V56-Y142 HydrophobicContact CG2-CD1 3.89Å; V56-Y142 HydrophobicContact CG2-CG 3.79Å; F122-Y142 HydrophobicContact CE1-CE1 4.48Å; F122-Y142 HydrophobicContact CZ-CD1 4.44Å; F122-Y142 AromaticContact CZ-CE1 3.87Å; F122-Y142 HydrophobicContact CZ-CE1 3.87Å; H140-Y142 PolarHBondContact O-N 2.99Å; H140-Y142 VanDerWaalsContact O-N 3.11Å; Y142-H144 PolarHBondContact O-N 3.48Å; Y142-T145 PolarHBondContact O-N 2.69Å; Y142-T145 VanDerWaalsContact O-N 3.13Å; Y142-F146 AromaticContact CD2-CD2 3.61Å; Y142-F146 HydrophobicContact CD2-CD2 3.61Å; Y142-F146 AromaticContact CD2-CE2 3.99Å; Y142-F146 HydrophobicContact CD2-CE2 3.99Å; Y142-F146 HydrophobicContact CE1-CB 4.22Å; Y142-F146 HydrophobicContact CE1-CD2 4.4Å; Y142-F146 AromaticContact CE2-CD2 3.41Å; Y142-F146 HydrophobicContact CE2-CD2 3.41Å; Y142-F146 VanDerWaalsContact CE2-CD2 3.41Å; Y142-F146 AromaticContact CE2-CE2 3.87Å; Y142-F146 HydrophobicContact CE2-CE2 3.87Å; Y142-F146 HydrophobicContact CE2-CG 4.18Å; Y142-F146 HydrophobicContact CG-CD2 4.17Å; Y142-F146 AromaticContact CZ-CD2 3.8Å; Y142-F146 WeakPolarHBondContact O-CD2 3.05Å; Y142-F146 PolarHBondContact O-N 3.11Å; Y142-H150 AromaticContact CE1-NE2 3.45Å; Y142-H150 WeakPolarHBondContact CE1-NE2 3.34Å; Y142-H150 AromaticContact CZ-NE2 3.64Å; Y142-H150 PolarHBondContact OH-CE1 3.37Å; Y142-H150 PolarHBondContact OH-NE2 3.39Å
143	I	87.2	Confident	84	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-66.8	-40.6	-173.9	-168.4	62.1	0	0	0	110.7	F122 Y126 L137 H140 T145 F146 V147	F122-I143 HydrophobicContact CE1-CD1 3.81Å; F122-I143 HydrophobicContact CZ-CD1 4.3Å; Y126-I143 HydrophobicContact CD1-CB 4.29Å; Y126-I143 HydrophobicContact CD1-CD1 4.35Å; Y126-I143 HydrophobicContact CD1-CG1 3.86Å; Y126-I143 HydrophobicContact CD1-CG2 4.33Å; Y126-I143 HydrophobicContact CD2-CD1 4.02Å; Y126-I143 HydrophobicContact CD2-CG1 4.42Å; Y126-I143 HydrophobicContact CE1-CB 3.76Å; Y126-I143 HydrophobicContact CE1-CD1 4.41Å; Y126-I143 HydrophobicContact CE1-CG1 3.85Å; Y126-I143 HydrophobicContact CE1-CG2 3.8Å; Y126-I143 HydrophobicContact CE2-CD1 4.11Å; Y126-I143 HydrophobicContact CE2-CG1 4.43Å; Y126-I143 HydrophobicContact CG-CD1 4.16Å; Y126-I143 HydrophobicContact CG-CG1 4.15Å; L137-I143 HydrophobicContact CD1-CG1 4.27Å; H140-I143 HydrophobicContact CB-CG2 4.11Å; H140-I143 WeakPolarHBondContact O-CG2 3.48Å; H140-I143 PolarHBondContact O-N 3.41Å; I143-T145 PolarHBondContact O-N 2.89Å; I143-F146 PolarHBondContact O-N 3.35Å; I143-V147 HydrophobicContact CD1-CB 4.35Å; I143-V147 HydrophobicContact CG1-CB 4.49Å; I143-V147 WeakPolarHBondContact O-CA 3.35Å; I143-V147 WeakPolarHBondContact O-CB 3.48Å; I143-V147 PolarHBondContact O-N 3.25Å
144	H	85.6	Confident	84.3	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.7	-33.7	175.5	-77.9	-76.3	0	0	0	112.2	A138 H140 Y142 F169 K173 L176	A138-H144 PolarHBondContact O-NE2 3.4Å; H140-H144 PolarHBondContact O-CD2 3.5Å; H140-H144 PolarHBondContact O-N 2.61Å; Y142-H144 PolarHBondContact O-N 3.48Å; H144-F169 AromaticContact CE1-CE2 3.68Å; H144-F169 AromaticContact ND1-CE2 3.37Å; H144-F169 WeakPolarHBondContact ND1-CE2 3.41Å; H144-F169 AromaticContact ND1-CZ 3.77Å; H144-K173 HydrophobicContact CB-CG 4.49Å; H144-K173 VanDerWaalsContact O-CD 3.28Å; H144-K173 WeakPolarHBondContact O-CD 3.29Å; H144-K173 WeakPolarHBondContact O-CE 3.05Å; H144-K173 PolarHBondContact O-NZ 2.77Å; H144-L176 HydrophobicContact CB-CD1 4.45Å; H144-L176 VanDerWaalsContact CD2-CD1 3.42Å; H144-L176 WeakPolarHBondContact CD2-CD1 3.42Å
145	T	82.7	Confident	84.4	Confident	28 Å²	28	28.1 Å²	28.1	17%	0.172	16%	0.157	C	C	.	.	H	α-helix	trans	-73.4	-45.7	175.8	-52.9	0	0	0	0	112.1	V141 Y142 I143 C177	V141-T145 WeakPolarHBondContact O-CB 3.42Å; V141-T145 PolarHBondContact O-N 3.45Å; V141-T145 VanDerWaalsContact O-N 3.07Å; V141-T145 PolarHBondContact O-OG1 3.23Å; Y142-T145 PolarHBondContact O-N 2.69Å; Y142-T145 VanDerWaalsContact O-N 3.13Å; I143-T145 PolarHBondContact O-N 2.89Å; T145-C177 PolarHBondContact OG1-SG 2.67Å
146	F	85.6	Confident	84.9	Confident	7 Å²	7	28.6 Å²	28.6	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-109.4	6.5	-167.3	-64.7	-73.6	0	0	0	115.6	P47 V50 Y142 I143 G148 Y149 H150 P369 P371	P47-F146 HydrophobicContact CB-CE1 4.49Å; P47-F146 HydrophobicContact CG-CD1 3.75Å; P47-F146 HydrophobicContact CG-CE1 3.82Å; P47-F146 HydrophobicContact CG-CG 4.37Å; V50-F146 HydrophobicContact CG1-CE2 3.73Å; V50-F146 HydrophobicContact CG1-CZ 4.07Å; V50-F146 HydrophobicContact CG2-CE1 4.22Å; V50-F146 HydrophobicContact CG2-CE2 4.21Å; V50-F146 HydrophobicContact CG2-CZ 3.71Å; Y142-F146 AromaticContact CD2-CD2 3.61Å; Y142-F146 HydrophobicContact CD2-CD2 3.61Å; Y142-F146 AromaticContact CD2-CE2 3.99Å; Y142-F146 HydrophobicContact CD2-CE2 3.99Å; Y142-F146 HydrophobicContact CE1-CB 4.22Å; Y142-F146 HydrophobicContact CE1-CD2 4.4Å; Y142-F146 AromaticContact CE2-CD2 3.41Å; Y142-F146 HydrophobicContact CE2-CD2 3.41Å; Y142-F146 VanDerWaalsContact CE2-CD2 3.41Å; Y142-F146 AromaticContact CE2-CE2 3.87Å; Y142-F146 HydrophobicContact CE2-CE2 3.87Å; Y142-F146 HydrophobicContact CE2-CG 4.18Å; Y142-F146 HydrophobicContact CG-CD2 4.17Å; Y142-F146 AromaticContact CZ-CD2 3.8Å; Y142-F146 WeakPolarHBondContact O-CD2 3.05Å; Y142-F146 PolarHBondContact O-N 3.11Å; I143-F146 PolarHBondContact O-N 3.35Å; F146-G148 VanDerWaalsContact C-N 3.29Å; F146-G148 PolarHBondContact O-N 3.15Å; F146-Y149 WeakPolarHBondContact O-CB 3.45Å; F146-Y149 PolarHBondContact O-N 3.38Å; F146-H150 PolarHBondContact O-CD2 3.13Å; F146-H150 VanDerWaalsContact O-CD2 3.28Å; F146-H150 PolarHBondContact O-N 2.96Å; F146-H150 VanDerWaalsContact O-N 3.11Å; F146-P369 HydrophobicContact CD1-CG 3.97Å; F146-P369 HydrophobicContact CE1-CG 3.8Å; F146-P371 HydrophobicContact CZ-CB 4.4Å
147	V	88.7	Confident	85.1	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-56.4	-42	179.2	65.7	0	0	0	0	112.3	L137 I143 Y149 H150 L151 V163 F169	L137-V147 HydrophobicContact CD1-CG2 4.44Å; I143-V147 HydrophobicContact CD1-CB 4.35Å; I143-V147 HydrophobicContact CG1-CB 4.49Å; I143-V147 WeakPolarHBondContact O-CA 3.35Å; I143-V147 WeakPolarHBondContact O-CB 3.48Å; I143-V147 PolarHBondContact O-N 3.25Å; V147-Y149 VanDerWaalsContact C-N 3.29Å; V147-Y149 PolarHBondContact O-N 3.3Å; V147-H150 PolarHBondContact O-N 3.06Å; V147-L151 HydrophobicContact CG2-CD1 3.88Å; V147-L151 HydrophobicContact CG2-CG 4.21Å; V147-L151 WeakPolarHBondContact O-CB 3.45Å; V147-L151 WeakPolarHBondContact O-CG 3.44Å; V147-L151 PolarHBondContact O-N 3.1Å; V147-V163 HydrophobicContact CG1-CG1 4.15Å; V147-F169 HydrophobicContact CG1-CE1 4.23Å; V147-F169 HydrophobicContact CG1-CE2 4.4Å; V147-F169 HydrophobicContact CG1-CZ 3.59Å
148	G	86.6	Confident	85.3	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.5	-37.3	177.8	0	0	0	0	0	112.6	F146 F152 Y189	F146-G148 VanDerWaalsContact C-N 3.29Å; F146-G148 PolarHBondContact O-N 3.15Å; G148-F152 WeakPolarHBondContact O-CB 3.26Å; G148-F152 PolarHBondContact O-N 3.07Å; G148-Y189 VanDerWaalsContact C-CZ 3.42Å
149	Y	85.9	Confident	85.7	Confident	12 Å²	12	31.3 Å²	31.3	5%	0.047	18%	0.175	C	C	.	.	H	α-helix	trans	-63.7	-47.8	176.8	167.1	-103	0	0	0	111.3	P47 H119 F146 V147 R153 Y189 T368	P47-Y149 HydrophobicContact CB-CE1 4.48Å; P47-Y149 HydrophobicContact CG-CD1 3.8Å; P47-Y149 HydrophobicContact CG-CE1 3.63Å; P47-Y149 HydrophobicContact CG-CG 4.37Å; H119-Y149 AromaticContact CE1-CE1 3.68Å; F146-Y149 WeakPolarHBondContact O-CB 3.45Å; F146-Y149 PolarHBondContact O-N 3.38Å; V147-Y149 VanDerWaalsContact C-N 3.29Å; V147-Y149 PolarHBondContact O-N 3.3Å; Y149-R153 HydrophobicContact CD2-CG 4.06Å; Y149-R153 HydrophobicContact CE2-CG 3.7Å; Y149-R153 WeakPolarHBondContact O-CB 3.4Å; Y149-R153 VanDerWaalsContact O-CG 3.3Å; Y149-R153 WeakPolarHBondContact O-CG 3.45Å; Y149-R153 PolarHBondContact O-N 2.82Å; Y149-Y189 WeakPolarHBondContact CA-OH 3.18Å; Y149-Y189 PolarHBondContact N-OH 3.47Å; Y149-Y189 VanDerWaalsContact N-OH 3.16Å; Y149-T368 HydrophobicContact CD2-CG2 4.06Å; Y149-T368 HydrophobicContact CE2-CG2 3.64Å
150	H	89.7	Confident	86.3	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-68.1	-40.4	179	-65	-53.9	0	0	0	112.5	V45 H119 F122 L123 Y142 F146 V147 R153 S154	V45-H150 PolarHBondContact O-CE1 2.84Å; H119-H150 AromaticContact CE1-ND1 3.42Å; H119-H150 PolarHBondContact CE1-ND1 3.4Å; H119-H150 AromaticContact ND1-CG 3.94Å; H119-H150 AromaticContact ND1-ND1 3.05Å; H119-H150 PolarHBondContact ND1-ND1 2.96Å; F122-H150 HydrophobicContact CD1-CB 4.35Å; F122-H150 AromaticContact CD1-CD2 3.77Å; F122-H150 AromaticContact CD1-CG 3.84Å; F122-H150 AromaticContact CD1-NE2 3.97Å; F122-H150 AromaticContact CE1-CD2 3.29Å; F122-H150 WeakPolarHBondContact CE1-CD2 3.41Å; F122-H150 AromaticContact CE1-CE1 4Å; F122-H150 AromaticContact CE1-CG 3.86Å; F122-H150 AromaticContact CE1-NE2 3.4Å; F122-H150 WeakPolarHBondContact CE1-NE2 3.3Å; F122-H150 AromaticContact CZ-NE2 3.86Å; L123-H150 HydrophobicContact CD1-CB 4.2Å; L123-H150 HydrophobicContact CD2-CB 3.83Å; L123-H150 HydrophobicContact CG-CB 4.01Å; Y142-H150 AromaticContact CE1-NE2 3.45Å; Y142-H150 WeakPolarHBondContact CE1-NE2 3.34Å; Y142-H150 AromaticContact CZ-NE2 3.64Å; Y142-H150 PolarHBondContact OH-CE1 3.37Å; Y142-H150 PolarHBondContact OH-NE2 3.39Å; F146-H150 PolarHBondContact O-CD2 3.13Å; F146-H150 VanDerWaalsContact O-CD2 3.28Å; F146-H150 PolarHBondContact O-N 2.96Å; F146-H150 VanDerWaalsContact O-N 3.11Å; V147-H150 PolarHBondContact O-N 3.06Å; H150-R153 PolarHBondContact O-N 3.32Å; H150-S154 WeakPolarHBondContact O-CB 3.38Å; H150-S154 PolarHBondContact O-N 3.09Å; H150-S154 PolarHBondContact O-OG 3.12Å
151	L	90	Very high	86.8	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.7	-47.8	176.4	-77.9	173.6	0	0	0	111.3	L123 W134 V147 S154 G155 N156 A159 L160 V163	L123-L151 HydrophobicContact CD1-CD2 3.85Å; L123-L151 HydrophobicContact CD1-CG 4.32Å; L123-L151 HydrophobicContact CD2-CD2 4.38Å; L123-L151 HydrophobicContact CD2-CG 4.41Å; W134-L151 HydrophobicContact CH2-CD2 3.84Å; W134-L151 HydrophobicContact CZ2-CD2 3.92Å; W134-L151 HydrophobicContact CZ3-CD2 4.46Å; V147-L151 HydrophobicContact CG2-CD1 3.88Å; V147-L151 HydrophobicContact CG2-CG 4.21Å; V147-L151 WeakPolarHBondContact O-CB 3.45Å; V147-L151 WeakPolarHBondContact O-CG 3.44Å; V147-L151 PolarHBondContact O-N 3.1Å; L151-S154 PolarHBondContact O-N 3.42Å; L151-S154 PolarHBondContact O-OG 3.46Å; L151-G155 PolarHBondContact O-N 3.48Å; L151-N156 HydrophobicContact CD2-CB 4.48Å; L151-N156 PolarHBondContact O-N 3.24Å; L151-A159 HydrophobicContact CD1-CB 4.49Å; L151-A159 HydrophobicContact CD2-CB 3.69Å; L151-L160 HydrophobicContact CB-CD2 3.59Å; L151-L160 HydrophobicContact CB-CG 4.1Å; L151-L160 HydrophobicContact CD1-CD2 3.97Å; L151-L160 HydrophobicContact CG-CD2 4.45Å; L151-V163 HydrophobicContact CD1-CB 4.36Å; L151-V163 HydrophobicContact CD1-CG2 3.77Å
152	F	87.7	Confident	87.3	Confident	42 Å²	42	27.1 Å²	27.1	18%	0.184	15%	0.153	C	C	.	.	H	α-helix	trans	-60.8	-50.7	176.5	-173.7	-76.6	0	0	0	111.6	G148 S154 G155 L157 L160 Y189 F192 Q366	G148-F152 WeakPolarHBondContact O-CB 3.26Å; G148-F152 PolarHBondContact O-N 3.07Å; F152-S154 PolarHBondContact O-N 3.49Å; F152-G155 PolarHBondContact O-N 3.01Å; F152-L157 HydrophobicContact CD2-CD2 3.65Å; F152-L157 HydrophobicContact CE2-CD2 3.91Å; F152-L157 HydrophobicContact CG-CD2 4.35Å; F152-L160 HydrophobicContact CD2-CD1 4.5Å; F152-Y189 HydrophobicContact CB-CD1 4.13Å; F152-Y189 HydrophobicContact CB-CE1 3.76Å; F152-Y189 HydrophobicContact CD2-CD1 4.07Å; F152-Y189 HydrophobicContact CD2-CE1 4.29Å; F152-Y189 HydrophobicContact CG-CD1 4.4Å; F152-Y189 HydrophobicContact CG-CE1 4.19Å; F152-F192 HydrophobicContact CD2-CD2 4.39Å; F152-F192 HydrophobicContact CD2-CE2 4.05Å; F152-F192 HydrophobicContact CE2-CD2 4.24Å; F152-F192 AromaticContact CE2-CE2 3.49Å; F152-F192 HydrophobicContact CE2-CE2 3.49Å; F152-F192 VanDerWaalsContact CE2-CE2 3.49Å; F152-F192 AromaticContact CE2-CZ 3.69Å; F152-F192 HydrophobicContact CE2-CZ 3.69Å; F152-Q366 HydrophobicContact CD1-CG 4.21Å; F152-Q366 HydrophobicContact CE1-CG 3.66Å; F152-Q366 VanDerWaalsContact CZ-CD 3.45Å; F152-Q366 HydrophobicContact CZ-CG 3.99Å
153	R	86.9	Confident	87.5	Confident	62 Å²	62	26.3 Å²	26.3	23%	0.234	15%	0.15	C	C	.	.	H	α-helix	trans	-69.1	-18.6	-177.6	-66.5	-67.1	-175.8	161.2	7.8	113.3	Q116 H119 Y149 H150 G155 Q366 D392	Q116-R153 WeakPolarHBondContact CG-O 3.47Å; H119-R153 WeakPolarHBondContact CD2-CB 3.22Å; H119-R153 WeakPolarHBondContact NE2-CB 3.43Å; Y149-R153 HydrophobicContact CD2-CG 4.06Å; Y149-R153 HydrophobicContact CE2-CG 3.7Å; Y149-R153 WeakPolarHBondContact O-CB 3.4Å; Y149-R153 VanDerWaalsContact O-CG 3.3Å; Y149-R153 WeakPolarHBondContact O-CG 3.45Å; Y149-R153 PolarHBondContact O-N 2.82Å; H150-R153 PolarHBondContact O-N 3.32Å; R153-G155 VanDerWaalsContact C-N 3.29Å; R153-Q366 VanDerWaalsContact NE-OE1 3.13Å; R153-D392 IonicContact NH1-OD1 3.03Å; R153-D392 IonicContact NH2-OD1 3.39Å
154	S	88.9	Confident	87.7	Confident	3 Å²	3	26.3 Å²	26.3	2%	0.021	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-12.8	170.8	78.3	0	0	0	0	113.7	Q116 Q120 H150 L151 F152 N156	Q116-S154 VanDerWaalsContact CG-O 3.28Å; Q116-S154 WeakPolarHBondContact CG-O 3.31Å; Q116-S154 PolarHBondContact NE2-O 3.41Å; Q120-S154 PolarHBondContact NE2-O 3.03Å; H150-S154 WeakPolarHBondContact O-CB 3.38Å; H150-S154 PolarHBondContact O-N 3.09Å; H150-S154 PolarHBondContact O-OG 3.12Å; L151-S154 PolarHBondContact O-N 3.42Å; L151-S154 PolarHBondContact O-OG 3.46Å; F152-S154 PolarHBondContact O-N 3.49Å; S154-N156 PolarHBondContact O-N 3.14Å; S154-N156 WeakPolarHBondContact OG-CB 3.21Å; S154-N156 PolarHBondContact OG-N 3.43Å
155	G	85.3	Confident	87.9	Confident	44 Å²	44	27.4 Å²	27.4	45%	0.454	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	2.7	-172	0	0	0	0	0	114.3	L151 F152 R153 L157	L151-G155 PolarHBondContact O-N 3.48Å; F152-G155 PolarHBondContact O-N 3.01Å; R153-G155 VanDerWaalsContact C-N 3.29Å; G155-L157 VanDerWaalsContact C-N 3.3Å; G155-L157 PolarHBondContact O-N 3.08Å
156	N	85.9	Confident	88.2	Confident	71 Å²	71	28.1 Å²	28.1	38%	0.38	16%	0.158	S	C	.	.			trans	-84.8	72	178.4	-167.3	-7.6	0	0	0	111.1	L151 S154 V158 A159	L151-N156 HydrophobicContact CD2-CB 4.48Å; L151-N156 PolarHBondContact O-N 3.24Å; S154-N156 PolarHBondContact O-N 3.14Å; S154-N156 WeakPolarHBondContact OG-CB 3.21Å; S154-N156 PolarHBondContact OG-N 3.43Å; N156-V158 VanDerWaalsContact C-N 3.33Å; N156-A159 HydrophobicContact CB-CB 4.47Å; N156-A159 WeakPolarHBondContact OD1-CB 3.34Å; N156-A159 PolarHBondContact OD1-N 2.95Å
157	L	86.1	Confident	88.2	Confident	65 Å²	65	28.2 Å²	28.2	34%	0.34	16%	0.159	S	C	.	.			trans	-69.6	-30.3	-177.5	-59.3	176.8	0	0	0	112.7	F152 G155 A159 L160 F192	F152-L157 HydrophobicContact CD2-CD2 3.65Å; F152-L157 HydrophobicContact CE2-CD2 3.91Å; F152-L157 HydrophobicContact CG-CD2 4.35Å; G155-L157 VanDerWaalsContact C-N 3.3Å; G155-L157 PolarHBondContact O-N 3.08Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 3.31Å; L157-L160 HydrophobicContact CD2-CD1 3.87Å; L157-L160 VanDerWaalsContact O-CB 3.26Å; L157-L160 WeakPolarHBondContact O-CB 3.42Å; L157-L160 PolarHBondContact O-N 3.42Å; L157-L160 VanDerWaalsContact O-N 3.12Å; L157-F192 HydrophobicContact CD1-CD1 3.88Å; L157-F192 HydrophobicContact CD1-CE1 3.96Å; L157-F192 HydrophobicContact CD2-CD1 4.28Å; L157-F192 HydrophobicContact CD2-CE1 4.5Å; L157-F192 HydrophobicContact CD2-CG 4.32Å; L157-F192 HydrophobicContact CG-CD1 4.49Å
158	V	88.1	Confident	88	Confident	110 Å²	110	28.7 Å²	28.7	67%	0.667	16%	0.164	S	C	*	.	H	α-helix	trans	-62.9	-42.5	179.1	-178.3	0	0	0	0	110.8	N156 L160 A161 D162	N156-V158 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.46Å; V158-L160 VanDerWaalsContact O-N 3.14Å; V158-A161 WeakPolarHBondContact O-CB 3.37Å; V158-A161 PolarHBondContact O-N 2.92Å; V158-D162 PolarHBondContact O-N 2.93Å
159	A	89.6	Confident	88	Confident	3 Å²	3	28.7 Å²	28.7	3%	0.025	16%	0.164	C	C	.	.	H	α-helix	trans	-64.9	-17.1	177.8	0	0	0	0	0	113.6	W134 L151 N156 L157 A161 D162 V163	W134-A159 HydrophobicContact CZ2-CB 4.18Å; L151-A159 HydrophobicContact CD1-CB 4.49Å; L151-A159 HydrophobicContact CD2-CB 3.69Å; N156-A159 HydrophobicContact CB-CB 4.47Å; N156-A159 WeakPolarHBondContact OD1-CB 3.34Å; N156-A159 PolarHBondContact OD1-N 2.95Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 3.31Å; A159-A161 VanDerWaalsContact C-N 3.3Å; A159-D162 PolarHBondContact O-N 2.73Å; A159-V163 VanDerWaalsContact O-CG2 3.28Å; A159-V163 WeakPolarHBondContact O-CG2 3.28Å; A159-V163 PolarHBondContact O-N 2.92Å; A159-V163 VanDerWaalsContact O-N 3.08Å
160	L	89.1	Confident	88.2	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.8	-40.4	171	-67.4	167.4	0	0	0	110.8	L151 F152 L157 V158 V163 Y164 Y189 F192 V193	L151-L160 HydrophobicContact CB-CD2 3.59Å; L151-L160 HydrophobicContact CB-CG 4.1Å; L151-L160 HydrophobicContact CD1-CD2 3.97Å; L151-L160 HydrophobicContact CG-CD2 4.45Å; F152-L160 HydrophobicContact CD2-CD1 4.5Å; L157-L160 HydrophobicContact CD2-CD1 3.87Å; L157-L160 VanDerWaalsContact O-CB 3.26Å; L157-L160 WeakPolarHBondContact O-CB 3.42Å; L157-L160 PolarHBondContact O-N 3.42Å; L157-L160 VanDerWaalsContact O-N 3.12Å; V158-L160 PolarHBondContact O-N 3.46Å; V158-L160 VanDerWaalsContact O-N 3.14Å; L160-V163 PolarHBondContact O-N 3.33Å; L160-Y164 HydrophobicContact CB-CD2 4.48Å; L160-Y164 HydrophobicContact CD2-CD2 4.36Å; L160-Y164 HydrophobicContact CD2-CE2 3.98Å; L160-Y164 WeakPolarHBondContact O-CB 3.34Å; L160-Y164 WeakPolarHBondContact O-CD2 3.39Å; L160-Y164 PolarHBondContact O-N 3.32Å; L160-Y189 HydrophobicContact CD1-CD1 4.48Å; L160-Y189 HydrophobicContact CD2-CG 4.36Å; L160-F192 HydrophobicContact CD1-CB 4.19Å; L160-F192 HydrophobicContact CD1-CD2 4.47Å; L160-V193 HydrophobicContact CB-CG2 4.13Å
161	A	90.1	Very high	87.9	Confident	9 Å²	9	28.9 Å²	28.9	7%	0.074	17%	0.167	C	C	.	.	H	α-helix	trans	-65.8	-44.7	176.7	0	0	0	0	0	111.1	V158 A159 V163 Y164 L165 A196	V158-A161 WeakPolarHBondContact O-CB 3.37Å; V158-A161 PolarHBondContact O-N 2.92Å; A159-A161 VanDerWaalsContact C-N 3.3Å; A161-V163 PolarHBondContact O-N 3.02Å; A161-Y164 PolarHBondContact O-N 3.39Å; A161-L165 HydrophobicContact CB-CD1 4.12Å; A161-L165 WeakPolarHBondContact O-CB 3.46Å; A161-L165 VanDerWaalsContact O-CG 3.31Å; A161-L165 WeakPolarHBondContact O-CG 3.2Å; A161-L165 PolarHBondContact O-N 3.38Å; A161-A196 HydrophobicContact CB-CB 3.6Å
162	D	88.4	Confident	87.5	Confident	96 Å²	96	31.3 Å²	31.3	51%	0.513	18%	0.178	S	C	.	.	H	α-helix	trans	-59	-35	177.8	-63.8	-24.8	0	0	0	112.8	V158 A159 N166	V158-D162 PolarHBondContact O-N 2.93Å; A159-D162 PolarHBondContact O-N 2.73Å; D162-N166 WeakPolarHBondContact O-CB 3.3Å
163	V	90.4	Very high	87.4	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-78.9	-53.4	179.1	172.5	0	0	0	0	111.7	W134 V147 L151 A159 L160 A161 N166 F169	W134-V163 HydrophobicContact CB-CG2 3.61Å; W134-V163 HydrophobicContact CD2-CG2 3.93Å; W134-V163 HydrophobicContact CE3-CG2 4.4Å; W134-V163 HydrophobicContact CG-CG2 3.57Å; V147-V163 HydrophobicContact CG1-CG1 4.15Å; L151-V163 HydrophobicContact CD1-CB 4.36Å; L151-V163 HydrophobicContact CD1-CG2 3.77Å; A159-V163 VanDerWaalsContact O-CG2 3.28Å; A159-V163 WeakPolarHBondContact O-CG2 3.28Å; A159-V163 PolarHBondContact O-N 2.92Å; A159-V163 VanDerWaalsContact O-N 3.08Å; L160-V163 PolarHBondContact O-N 3.33Å; A161-V163 PolarHBondContact O-N 3.02Å; V163-N166 PolarHBondContact O-N 3.16Å; V163-F169 HydrophobicContact CG1-CD1 3.43Å; V163-F169 VanDerWaalsContact CG1-CD1 3.43Å; V163-F169 HydrophobicContact CG1-CD2 4.37Å; V163-F169 HydrophobicContact CG1-CE1 3.28Å; V163-F169 HydrophobicContact CG1-CE2 4.25Å; V163-F169 HydrophobicContact CG1-CG 4.01Å; V163-F169 HydrophobicContact CG1-CZ 3.75Å; V163-F169 WeakPolarHBondContact O-CD1 3.45Å
164	Y	90.9	Very high	87.3	Confident	1 Å²	1	26.6 Å²	26.6	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-83.1	-17.7	-169.8	-74.6	-66.7	0	0	0	114	L160 A161 L170 K173 D185 F186 Y189 V193	L160-Y164 HydrophobicContact CB-CD2 4.48Å; L160-Y164 HydrophobicContact CD2-CD2 4.36Å; L160-Y164 HydrophobicContact CD2-CE2 3.98Å; L160-Y164 WeakPolarHBondContact O-CB 3.34Å; L160-Y164 WeakPolarHBondContact O-CD2 3.39Å; L160-Y164 PolarHBondContact O-N 3.32Å; A161-Y164 PolarHBondContact O-N 3.39Å; Y164-L170 HydrophobicContact CD1-CD2 4.01Å; Y164-L170 WeakPolarHBondContact O-CD1 3.28Å; Y164-K173 PolarHBondContact OH-NZ 3.17Å; Y164-D185 HydrophobicContact CE1-CB 3.81Å; Y164-D185 WeakPolarHBondContact OH-CB 3.39Å; Y164-D185 VanDerWaalsContact OH-CG 3.31Å; Y164-D185 PolarHBondContact OH-OD2 3.33Å; Y164-F186 HydrophobicContact CD1-CD1 4.36Å; Y164-F186 AromaticContact CD1-CE1 3.84Å; Y164-F186 HydrophobicContact CD1-CE1 3.84Å; Y164-F186 HydrophobicContact CG-CE1 4.19Å; Y164-Y189 HydrophobicContact CE2-CD2 4.09Å; Y164-V193 HydrophobicContact CD2-CG2 4.1Å; Y164-V193 HydrophobicContact CG-CG2 4.46Å
165	L	90.2	Very high	86.8	Confident	22 Å²	22	28.8 Å²	28.8	12%	0.115	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-5.4	170.5	-58.6	176.1	0	0	0	112.6	A161 L167 V193 H197 L200 F201 M204	A161-L165 HydrophobicContact CB-CD1 4.12Å; A161-L165 WeakPolarHBondContact O-CB 3.46Å; A161-L165 VanDerWaalsContact O-CG 3.31Å; A161-L165 WeakPolarHBondContact O-CG 3.2Å; A161-L165 PolarHBondContact O-N 3.38Å; L165-L167 PolarHBondContact O-N 3.28Å; L165-V193 HydrophobicContact CD1-CG1 4.5Å; L165-V193 HydrophobicContact CD2-CG1 3.72Å; L165-V193 HydrophobicContact CG-CG1 3.86Å; L165-H197 HydrophobicContact CD1-CB 3.88Å; L165-L200 HydrophobicContact CB-CD2 4.18Å; L165-L200 HydrophobicContact CD1-CD2 4.46Å; L165-L200 HydrophobicContact CD2-CD2 3.98Å; L165-L200 HydrophobicContact CD2-CG 4.2Å; L165-L200 HydrophobicContact CG-CD2 4.44Å; L165-F201 HydrophobicContact CD2-CB 4.4Å; L165-M204 HydrophobicContact CD2-SD 4.29Å; L165-M204 VanDerWaalsContact O-CE 3.31Å; L165-M204 WeakPolarHBondContact O-CE 3.39Å
166	N	88.8	Confident	86.5	Confident	44 Å²	44	29.2 Å²	29.2	24%	0.235	17%	0.166	C	C	.	.			trans	-84	114.5	178	-171	-66	0	0	0	111.8	H135 D162 V163 G168 F169 L170	H135-N166 PolarHBondContact CD2-ND2 2.82Å; D162-N166 WeakPolarHBondContact O-CB 3.3Å; V163-N166 PolarHBondContact O-N 3.16Å; N166-G168 VanDerWaalsContact C-N 3.31Å; N166-G168 PolarHBondContact O-N 2.82Å; N166-G168 WeakPolarHBondContact OD1-CA 3.49Å; N166-G168 PolarHBondContact OD1-N 3.01Å; N166-F169 HydrophobicContact CB-CB 4.14Å; N166-F169 PolarHBondContact O-N 3.06Å; N166-F169 PolarHBondContact OD1-N 2.92Å; N166-L170 PolarHBondContact O-N 2.93Å
167	L	86	Confident	86.1	Confident	8 Å²	8	26 Å²	26	4%	0.042	15%	0.149	C	C	.	.	H	α-helix	trans	-59.8	-36.7	179.6	-68.7	179.4	0	0	0	113.9	L165 S171 M204 F225 I226 L238 L241 A242	L165-L167 PolarHBondContact O-N 3.28Å; L167-S171 VanDerWaalsContact O-CB 3.22Å; L167-S171 WeakPolarHBondContact O-CB 3.45Å; L167-S171 PolarHBondContact O-N 2.84Å; L167-M204 HydrophobicContact CD2-CE 3.48Å; L167-M204 VanDerWaalsContact CD2-CE 3.48Å; L167-M204 HydrophobicContact CG-CE 4.09Å; L167-F225 HydrophobicContact CD2-CD1 3.96Å; L167-F225 HydrophobicContact CD2-CE1 3.49Å; L167-F225 VanDerWaalsContact CD2-CE1 3.49Å; L167-F225 HydrophobicContact CD2-CZ 4.47Å; L167-I226 HydrophobicContact CB-CG1 4.27Å; L167-L238 HydrophobicContact CD2-CD1 3.75Å; L167-L241 HydrophobicContact CD1-CB 4Å; L167-A242 VanDerWaalsContact CD1-CA 3.44Å; L167-A242 HydrophobicContact CD1-CB 3.85Å
168	G	83.3	Confident	85.7	Confident	10 Å²	10	23.3 Å²	23.3	10%	0.103	14%	0.137	C	C	.	.	H	α-helix	trans	-66.6	-46.3	179.1	0	0	0	0	0	111.8	N166 K172	N166-G168 VanDerWaalsContact C-N 3.31Å; N166-G168 PolarHBondContact O-N 2.82Å; N166-G168 WeakPolarHBondContact OD1-CA 3.49Å; N166-G168 PolarHBondContact OD1-N 3.01Å; G168-K172 WeakPolarHBondContact O-CB 3.41Å; G168-K172 PolarHBondContact O-N 3.03Å; G168-K172 VanDerWaalsContact O-N 3.09Å
169	F	88	Confident	85.6	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.1	-49	175.6	178.6	-94.2	0	0	0	111.6	H135 L137 H144 V147 V163 N166 S171 K172 K173	H135-F169 HydrophobicContact CB-CB 4.25Å; L137-F169 HydrophobicContact CD1-CD2 4.43Å; L137-F169 HydrophobicContact CD1-CE2 3.91Å; H144-F169 AromaticContact CE1-CE2 3.68Å; H144-F169 AromaticContact ND1-CE2 3.37Å; H144-F169 WeakPolarHBondContact ND1-CE2 3.41Å; H144-F169 AromaticContact ND1-CZ 3.77Å; V147-F169 HydrophobicContact CG1-CE1 4.23Å; V147-F169 HydrophobicContact CG1-CE2 4.4Å; V147-F169 HydrophobicContact CG1-CZ 3.59Å; V163-F169 HydrophobicContact CG1-CD1 3.43Å; V163-F169 VanDerWaalsContact CG1-CD1 3.43Å; V163-F169 HydrophobicContact CG1-CD2 4.37Å; V163-F169 HydrophobicContact CG1-CE1 3.28Å; V163-F169 HydrophobicContact CG1-CE2 4.25Å; V163-F169 HydrophobicContact CG1-CG 4.01Å; V163-F169 HydrophobicContact CG1-CZ 3.75Å; V163-F169 WeakPolarHBondContact O-CD1 3.45Å; N166-F169 HydrophobicContact CB-CB 4.14Å; N166-F169 PolarHBondContact O-N 3.06Å; N166-F169 PolarHBondContact OD1-N 2.92Å; F169-S171 PolarHBondContact O-N 3.09Å; F169-K172 PolarHBondContact O-N 2.84Å; F169-K173 HydrophobicContact CE1-CB 4.22Å; F169-K173 HydrophobicContact CE1-CD 3.75Å; F169-K173 HydrophobicContact CZ-CB 4.42Å; F169-K173 HydrophobicContact CZ-CD 4.05Å; F169-K173 WeakPolarHBondContact O-CB 3.15Å; F169-K173 PolarHBondContact O-N 3.23Å
170	L	88.3	Confident	85.2	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.9	-46.7	178.2	-76.2	-173.2	0	0	0	111.8	Y164 N166 K172 K173 I174 V182 F186 M204 F225	Y164-L170 HydrophobicContact CD1-CD2 4.01Å; Y164-L170 WeakPolarHBondContact O-CD1 3.28Å; N166-L170 PolarHBondContact O-N 2.93Å; L170-K172 VanDerWaalsContact C-N 3.28Å; L170-K172 PolarHBondContact O-N 2.78Å; L170-K173 PolarHBondContact O-N 3.35Å; L170-I174 WeakPolarHBondContact O-CB 3.37Å; L170-I174 WeakPolarHBondContact O-CD1 3.04Å; L170-I174 WeakPolarHBondContact O-CG1 3.43Å; L170-I174 PolarHBondContact O-N 3.45Å; L170-V182 HydrophobicContact CD2-CG1 3.67Å; L170-F186 HydrophobicContact CD1-CZ 4.29Å; L170-F186 HydrophobicContact CD2-CE1 4.44Å; L170-F186 HydrophobicContact CD2-CZ 4.5Å; L170-M204 HydrophobicContact CD1-CE 4.46Å; L170-M204 HydrophobicContact CD1-SD 3.86Å; L170-F225 HydrophobicContact CB-CD1 4.17Å; L170-F225 HydrophobicContact CB-CE1 4.06Å; L170-F225 HydrophobicContact CD1-CE1 3.62Å; L170-F225 HydrophobicContact CD1-CZ 4Å
171	S	83.9	Confident	84.8	Confident	17 Å²	17	20.4 Å²	20.4	12%	0.119	12%	0.12	C	C	.	.	H	α-helix	trans	-59.6	-41	178.7	-166.8	0	0	0	0	111.5	L167 F169 S175	L167-S171 VanDerWaalsContact O-CB 3.22Å; L167-S171 WeakPolarHBondContact O-CB 3.45Å; L167-S171 PolarHBondContact O-N 2.84Å; F169-S171 PolarHBondContact O-N 3.09Å; S171-S175 PolarHBondContact O-N 2.53Å; S171-S175 VanDerWaalsContact O-N 3.09Å
172	K	82.3	Confident	84.6	Confident	50 Å²	50	20 Å²	20	22%	0.217	12%	0.116	C	C	.	.	H	α-helix	trans	-68	-44.6	177	-165.8	171.2	-178.4	-176.2	0	111.6	L137 D139 G168 F169 L170 I174 S175 L176	L137-K172 PolarHBondContact O-NZ 3.3Å; D139-K172 WeakPolarHBondContact OD1-CE 3.41Å; D139-K172 IonicContact OD1-NZ 3.19Å; D139-K172 PolarHBondContact OD1-NZ 2.85Å; D139-K172 VanDerWaalsContact OD2-CE 3.29Å; D139-K172 WeakPolarHBondContact OD2-CE 3.05Å; D139-K172 IonicContact OD2-NZ 3.72Å; G168-K172 WeakPolarHBondContact O-CB 3.41Å; G168-K172 PolarHBondContact O-N 3.03Å; G168-K172 VanDerWaalsContact O-N 3.09Å; F169-K172 PolarHBondContact O-N 2.84Å; L170-K172 VanDerWaalsContact C-N 3.28Å; L170-K172 PolarHBondContact O-N 2.78Å; K172-I174 PolarHBondContact O-N 2.56Å; K172-S175 PolarHBondContact O-N 2.89Å; K172-S175 PolarHBondContact O-OG 2.85Å; K172-L176 HydrophobicContact CG-CD1 4.21Å; K172-L176 WeakPolarHBondContact O-CG 3.13Å; K172-L176 PolarHBondContact O-N 3.17Å; K172-L176 VanDerWaalsContact O-N 3.08Å
173	K	86.3	Confident	84.5	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.5	-43.5	175.6	-177.9	168	176.5	150.5	0	112.4	H144 Y164 F169 L170 S175 L176 C177 V182 D185	H144-K173 HydrophobicContact CB-CG 4.49Å; H144-K173 VanDerWaalsContact O-CD 3.28Å; H144-K173 WeakPolarHBondContact O-CD 3.29Å; H144-K173 WeakPolarHBondContact O-CE 3.05Å; H144-K173 PolarHBondContact O-NZ 2.77Å; Y164-K173 PolarHBondContact OH-NZ 3.17Å; F169-K173 HydrophobicContact CE1-CB 4.22Å; F169-K173 HydrophobicContact CE1-CD 3.75Å; F169-K173 HydrophobicContact CZ-CB 4.42Å; F169-K173 HydrophobicContact CZ-CD 4.05Å; F169-K173 WeakPolarHBondContact O-CB 3.15Å; F169-K173 PolarHBondContact O-N 3.23Å; L170-K173 PolarHBondContact O-N 3.35Å; K173-S175 VanDerWaalsContact C-N 3.3Å; K173-S175 PolarHBondContact O-N 3.39Å; K173-L176 PolarHBondContact O-N 3.06Å; K173-C177 HydrophobicContact CG-CB 4.47Å; K173-C177 WeakPolarHBondContact O-CB 3.46Å; K173-C177 PolarHBondContact O-N 3.47Å; K173-V182 HydrophobicContact CB-CG2 4.46Å; K173-V182 HydrophobicContact CD-CG2 3.91Å; K173-V182 HydrophobicContact CG-CG2 3.86Å; K173-D185 WeakPolarHBondContact CE-OD2 3.4Å; K173-D185 IonicContact NZ-OD2 2.99Å; K173-D185 PolarHBondContact NZ-OD2 2.88Å
174	I	83.4	Confident	84.1	Confident	5 Å²	5	17 Å²	17	3%	0.026	10%	0.1	C	C	.	.	H	α-helix	trans	-61.7	-40.6	176.1	-67.4	161.8	0	0	0	110.6	L170 K172 L176 G178 P179 V182 L208 L215 F225	L170-I174 WeakPolarHBondContact O-CB 3.37Å; L170-I174 WeakPolarHBondContact O-CD1 3.04Å; L170-I174 WeakPolarHBondContact O-CG1 3.43Å; L170-I174 PolarHBondContact O-N 3.45Å; K172-I174 PolarHBondContact O-N 2.56Å; I174-L176 VanDerWaalsContact C-N 3.35Å; I174-L176 PolarHBondContact O-N 3.23Å; I174-G178 WeakPolarHBondContact O-CA 3.49Å; I174-G178 PolarHBondContact O-N 2.86Å; I174-P179 HydrophobicContact CG2-CB 4.25Å; I174-V182 HydrophobicContact CG1-CG2 3.86Å; I174-L208 HydrophobicContact CD1-CD2 3.76Å; I174-L215 HydrophobicContact CD1-CD1 4.42Å; I174-L215 HydrophobicContact CG2-CB 4.13Å; I174-L215 HydrophobicContact CG2-CD2 4.49Å; I174-F225 HydrophobicContact CD1-CB 3.81Å; I174-F225 HydrophobicContact CD1-CD1 4.33Å; I174-F225 HydrophobicContact CD1-CD2 3.92Å; I174-F225 HydrophobicContact CD1-CG 3.77Å
175	S	79.6	Confident	83.9	Confident	50 Å²	50	17.1 Å²	17.1	35%	0.35	10%	0.1	S	C	.	.	H	α-helix	trans	-67.1	-32.4	179.1	73.6	0	0	0	0	113.8	S171 K172 K173	S171-S175 PolarHBondContact O-N 2.53Å; S171-S175 VanDerWaalsContact O-N 3.09Å; K172-S175 PolarHBondContact O-N 2.89Å; K172-S175 PolarHBondContact O-OG 2.85Å; K173-S175 VanDerWaalsContact C-N 3.3Å; K173-S175 PolarHBondContact O-N 3.39Å
176	L	78.2	Confident	83.7	Confident	53 Å²	53	16.4 Å²	16.4	28%	0.277	10%	0.096	S	C	.	.	H	α-helix	trans	-91.1	-46.4	-177.2	-67.2	172.8	0	0	0	113	H144 K172 K173 I174	H144-L176 HydrophobicContact CB-CD1 4.45Å; H144-L176 VanDerWaalsContact CD2-CD1 3.42Å; H144-L176 WeakPolarHBondContact CD2-CD1 3.42Å; K172-L176 HydrophobicContact CG-CD1 4.21Å; K172-L176 WeakPolarHBondContact O-CG 3.13Å; K172-L176 PolarHBondContact O-N 3.17Å; K172-L176 VanDerWaalsContact O-N 3.08Å; K173-L176 PolarHBondContact O-N 3.06Å; I174-L176 VanDerWaalsContact C-N 3.35Å; I174-L176 PolarHBondContact O-N 3.23Å
177	C	76.7	Confident	83.5	Confident	4 Å²	4	17.5 Å²	17.5	3%	0.027	11%	0.105	C	C	.	.	H	α-helix	trans	-106.8	-13.9	-169.6	-56.7	0	0	0	0	113.2	T145 K173 T181	T145-C177 PolarHBondContact OG1-SG 2.67Å; K173-C177 HydrophobicContact CG-CB 4.47Å; K173-C177 WeakPolarHBondContact O-CB 3.46Å; K173-C177 PolarHBondContact O-N 3.47Å; C177-T181 HydrophobicContact CB-CG2 4.13Å; C177-T181 WeakPolarHBondContact CB-OG1 3.22Å; C177-T181 VanDerWaalsContact O-CG2 3.31Å; C177-T181 WeakPolarHBondContact O-CG2 3.42Å
178	G	79.2	Confident	83.2	Confident	8 Å²	8	18.8 Å²	18.8	8%	0.082	11%	0.112	C	C	.	.			trans	83.2	155.8	-173.3	0	0	0	0	0	113.8	I174 S180 T181	I174-G178 WeakPolarHBondContact O-CA 3.49Å; I174-G178 PolarHBondContact O-N 2.86Å; G178-S180 PolarHBondContact O-N 3.08Å; G178-T181 PolarHBondContact O-N 3.18Å; G178-T181 PolarHBondContact O-OG1 3.22Å
179	P	84.8	Confident	83.3	Confident	2 Å²	2	18.3 Å²	18.3	1%	0.013	11%	0.108	C	C	.	.	H	α-helix	trans	-67.3	-30.7	-173.2	25.5	-34	0	0	0	114.5	I174 T181 V182 L183 C212 L215 A216	I174-P179 HydrophobicContact CG2-CB 4.25Å; P179-T181 PolarHBondContact O-N 3.46Å; P179-V182 WeakPolarHBondContact O-CB 3.39Å; P179-V182 PolarHBondContact O-N 2.62Å; P179-V182 VanDerWaalsContact O-N 3.09Å; P179-L183 PolarHBondContact O-N 3.37Å; P179-L183 VanDerWaalsContact O-N 3.09Å; P179-C212 HydrophobicContact CB-CB 4.31Å; P179-C212 HydrophobicContact CG-CB 4.37Å; P179-C212 VanDerWaalsContact CG-O 3.3Å; P179-C212 WeakPolarHBondContact CG-O 3.45Å; P179-C212 VanDerWaalsContact CG-SG 3.57Å; P179-L215 HydrophobicContact CB-CB 4.14Å; P179-L215 HydrophobicContact CB-CD1 4.29Å; P179-L215 HydrophobicContact CG-CB 3.93Å; P179-A216 HydrophobicContact CG-CB 4.01Å
180	S	81.6	Confident	83.1	Confident	22 Å²	22	18.5 Å²	18.5	15%	0.154	11%	0.11	C	C	.	.	H	α-helix	trans	-60.6	-30.3	179.4	-50.1	0	0	0	0	113	G178 H184 T308 G309	G178-S180 PolarHBondContact O-N 3.08Å; S180-H184 PolarHBondContact O-N 3.25Å; S180-T308 WeakPolarHBondContact CA-O 3.45Å; S180-T308 WeakPolarHBondContact CB-O 3.4Å; S180-G309 WeakPolarHBondContact CB-O 3.31Å; S180-G309 PolarHBondContact OG-O 3.29Å
181	T	80.5	Confident	83	Confident	27 Å²	27	24.5 Å²	24.5	17%	0.166	14%	0.138	C	C	.	.	H	α-helix	trans	-68.6	-39.3	176.5	64	0	0	0	0	111.7	C177 G178 P179 H184 D185 L310	C177-T181 HydrophobicContact CB-CG2 4.13Å; C177-T181 WeakPolarHBondContact CB-OG1 3.22Å; C177-T181 VanDerWaalsContact O-CG2 3.31Å; C177-T181 WeakPolarHBondContact O-CG2 3.42Å; G178-T181 PolarHBondContact O-N 3.18Å; G178-T181 PolarHBondContact O-OG1 3.22Å; P179-T181 PolarHBondContact O-N 3.46Å; T181-H184 WeakPolarHBondContact O-CB 3.49Å; T181-H184 PolarHBondContact O-N 2.72Å; T181-D185 PolarHBondContact O-N 3.07Å; T181-L310 HydrophobicContact CG2-CD1 4.25Å
182	V	86.6	Confident	83.1	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.4	-43.6	175.8	-177.6	0	0	0	0	111	L170 K173 I174 P179 H184 D185 F186 L208	L170-V182 HydrophobicContact CD2-CG1 3.67Å; K173-V182 HydrophobicContact CB-CG2 4.46Å; K173-V182 HydrophobicContact CD-CG2 3.91Å; K173-V182 HydrophobicContact CG-CG2 3.86Å; I174-V182 HydrophobicContact CG1-CG2 3.86Å; P179-V182 WeakPolarHBondContact O-CB 3.39Å; P179-V182 PolarHBondContact O-N 2.62Å; P179-V182 VanDerWaalsContact O-N 3.09Å; V182-H184 VanDerWaalsContact C-N 3.29Å; V182-H184 PolarHBondContact O-N 3.26Å; V182-D185 WeakPolarHBondContact O-CB 3.3Å; V182-D185 PolarHBondContact O-N 3.48Å; V182-D185 VanDerWaalsContact O-N 3.12Å; V182-F186 HydrophobicContact CG1-CD1 4.21Å; V182-F186 HydrophobicContact CG1-CE1 3.84Å; V182-F186 HydrophobicContact CG1-CZ 4.06Å; V182-F186 WeakPolarHBondContact O-CD1 3.22Å; V182-F186 PolarHBondContact O-N 3.47Å; V182-L208 HydrophobicContact CB-CD1 4.32Å; V182-L208 HydrophobicContact CG1-CD1 3.59Å
183	L	85.6	Confident	83.4	Confident	4 Å²	4	24.5 Å²	24.5	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-61.2	-39.2	175.5	-75.1	175.7	0	0	0	111.8	P179 F186 V187 L208 Q209 C212 T308	P179-L183 PolarHBondContact O-N 3.37Å; P179-L183 VanDerWaalsContact O-N 3.09Å; L183-F186 PolarHBondContact O-N 2.99Å; L183-V187 WeakPolarHBondContact O-CG2 3.32Å; L183-V187 PolarHBondContact O-N 3.35Å; L183-L208 HydrophobicContact CD2-CB 3.62Å; L183-L208 HydrophobicContact CD2-CD1 4.41Å; L183-L208 HydrophobicContact CG-CB 4.16Å; L183-Q209 HydrophobicContact CD2-CG 3.79Å; L183-C212 HydrophobicContact CD1-CB 4.08Å; L183-T308 HydrophobicContact CB-CG2 4.35Å
184	H	83	Confident	83.5	Confident	30 Å²	30	30.1 Å²	30.1	14%	0.139	16%	0.157	C	C	.	.	H	α-helix	trans	-61	-44.8	172.8	176.4	-82.6	0	0	0	111.7	S180 T181 V182 F186 V187 V188 T308 L310	S180-H184 PolarHBondContact O-N 3.25Å; T181-H184 WeakPolarHBondContact O-CB 3.49Å; T181-H184 PolarHBondContact O-N 2.72Å; V182-H184 VanDerWaalsContact C-N 3.29Å; V182-H184 PolarHBondContact O-N 3.26Å; H184-F186 VanDerWaalsContact C-N 3.28Å; H184-F186 PolarHBondContact O-N 2.92Å; H184-V187 PolarHBondContact O-N 3.33Å; H184-V187 VanDerWaalsContact O-N 3.09Å; H184-V188 WeakPolarHBondContact O-CG2 3.42Å; H184-V188 PolarHBondContact O-N 3.22Å; H184-T308 HydrophobicContact CB-CG2 4.29Å; H184-L310 HydrophobicContact CB-CD2 4.19Å
185	D	84.8	Confident	83.8	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-64.3	-33	176.5	-67.3	-33.3	0	0	0	112.8	Y164 K173 T181 V182 V187 V188 Y189	Y164-D185 HydrophobicContact CE1-CB 3.81Å; Y164-D185 WeakPolarHBondContact OH-CB 3.39Å; Y164-D185 VanDerWaalsContact OH-CG 3.31Å; Y164-D185 PolarHBondContact OH-OD2 3.33Å; K173-D185 WeakPolarHBondContact CE-OD2 3.4Å; K173-D185 IonicContact NZ-OD2 2.99Å; K173-D185 PolarHBondContact NZ-OD2 2.88Å; T181-D185 PolarHBondContact O-N 3.07Å; V182-D185 WeakPolarHBondContact O-CB 3.3Å; V182-D185 PolarHBondContact O-N 3.48Å; V182-D185 VanDerWaalsContact O-N 3.12Å; D185-V187 VanDerWaalsContact C-N 3.34Å; D185-V188 PolarHBondContact O-N 3.39Å; D185-Y189 HydrophobicContact CB-CD2 3.91Å; D185-Y189 HydrophobicContact CB-CE2 4.17Å; D185-Y189 WeakPolarHBondContact O-CA 3.41Å; D185-Y189 WeakPolarHBondContact O-CB 3.06Å; D185-Y189 WeakPolarHBondContact O-CD2 3.22Å; D185-Y189 PolarHBondContact O-N 3.02Å
186	F	87.4	Confident	84.2	Confident	6 Å²	6	35.7 Å²	35.7	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-67.8	-34.3	172.3	-76.5	13.4	0	0	0	111.8	Y164 L170 V182 L183 H184 G190 F201 M204 Q205 L208	Y164-F186 HydrophobicContact CD1-CD1 4.36Å; Y164-F186 AromaticContact CD1-CE1 3.84Å; Y164-F186 HydrophobicContact CD1-CE1 3.84Å; Y164-F186 HydrophobicContact CG-CE1 4.19Å; L170-F186 HydrophobicContact CD1-CZ 4.29Å; L170-F186 HydrophobicContact CD2-CE1 4.44Å; L170-F186 HydrophobicContact CD2-CZ 4.5Å; V182-F186 HydrophobicContact CG1-CD1 4.21Å; V182-F186 HydrophobicContact CG1-CE1 3.84Å; V182-F186 HydrophobicContact CG1-CZ 4.06Å; V182-F186 WeakPolarHBondContact O-CD1 3.22Å; V182-F186 PolarHBondContact O-N 3.47Å; L183-F186 PolarHBondContact O-N 2.99Å; H184-F186 VanDerWaalsContact C-N 3.28Å; H184-F186 PolarHBondContact O-N 2.92Å; F186-G190 WeakPolarHBondContact O-CA 3.41Å; F186-G190 PolarHBondContact O-N 3.39Å; F186-F201 HydrophobicContact CB-CE2 4.18Å; F186-F201 HydrophobicContact CB-CZ 3.96Å; F186-F201 AromaticContact CD1-CE2 3.97Å; F186-F201 HydrophobicContact CD1-CE2 3.97Å; F186-F201 AromaticContact CD2-CE2 3.78Å; F186-F201 HydrophobicContact CD2-CE2 3.78Å; F186-F201 HydrophobicContact CD2-CZ 4.03Å; F186-F201 HydrophobicContact CE1-CE2 4.25Å; F186-F201 HydrophobicContact CE2-CD2 4.49Å; F186-F201 HydrophobicContact CE2-CE2 4.07Å; F186-F201 AromaticContact CG-CE2 3.72Å; F186-F201 HydrophobicContact CG-CE2 3.72Å; F186-F201 AromaticContact CG-CZ 3.97Å; F186-F201 HydrophobicContact CG-CZ 3.97Å; F186-F201 HydrophobicContact CZ-CE2 4.3Å; F186-M204 HydrophobicContact CE2-CB 4.32Å; F186-Q205 HydrophobicContact CD2-CB 3.97Å; F186-Q205 HydrophobicContact CD2-CG 4.26Å; F186-Q205 HydrophobicContact CE2-CB 4.28Å; F186-L208 HydrophobicContact CD2-CD1 4.2Å; F186-L208 HydrophobicContact CE2-CD1 3.63Å; F186-L208 HydrophobicContact CZ-CD1 4.03Å
187	V	83.3	Confident	84.7	Confident	68 Å²	68	38.1 Å²	38.1	41%	0.412	20%	0.2	S	C	.	.	H	α-helix	trans	-68.6	-36.3	173.2	173.4	0	0	0	0	111.6	L183 H184 D185 T308	L183-V187 WeakPolarHBondContact O-CG2 3.32Å; L183-V187 PolarHBondContact O-N 3.35Å; H184-V187 PolarHBondContact O-N 3.33Å; H184-V187 VanDerWaalsContact O-N 3.09Å; D185-V187 VanDerWaalsContact C-N 3.34Å; V187-T308 HydrophobicContact CG2-CG2 3.78Å
188	V	79.6	Confident	85.3	Confident	34 Å²	34	41.4 Å²	41.4	21%	0.206	22%	0.22	C	C	.	.	H	α-helix	trans	-83.9	-45.8	-176.1	179.3	0	0	0	0	112.8	H184 D185	H184-V188 WeakPolarHBondContact O-CG2 3.42Å; H184-V188 PolarHBondContact O-N 3.22Å; D185-V188 PolarHBondContact O-N 3.39Å
189	Y	85.9	Confident	85.8	Confident	1 Å²	1	43 Å²	43	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-108.3	-7	-173.6	-48.7	-61.7	0	0	0	113.2	G148 Y149 F152 L160 Y164 D185 Q191 F192 V193	G148-Y189 VanDerWaalsContact C-CZ 3.42Å; Y149-Y189 WeakPolarHBondContact CA-OH 3.18Å; Y149-Y189 PolarHBondContact N-OH 3.47Å; Y149-Y189 VanDerWaalsContact N-OH 3.16Å; F152-Y189 HydrophobicContact CB-CD1 4.13Å; F152-Y189 HydrophobicContact CB-CE1 3.76Å; F152-Y189 HydrophobicContact CD2-CD1 4.07Å; F152-Y189 HydrophobicContact CD2-CE1 4.29Å; F152-Y189 HydrophobicContact CG-CD1 4.4Å; F152-Y189 HydrophobicContact CG-CE1 4.19Å; L160-Y189 HydrophobicContact CD1-CD1 4.48Å; L160-Y189 HydrophobicContact CD2-CG 4.36Å; Y164-Y189 HydrophobicContact CE2-CD2 4.09Å; D185-Y189 HydrophobicContact CB-CD2 3.91Å; D185-Y189 HydrophobicContact CB-CE2 4.17Å; D185-Y189 WeakPolarHBondContact O-CA 3.41Å; D185-Y189 WeakPolarHBondContact O-CB 3.06Å; D185-Y189 WeakPolarHBondContact O-CD2 3.22Å; D185-Y189 PolarHBondContact O-N 3.02Å; Y189-Q191 PolarHBondContact O-N 2.99Å; Y189-Q191 VanDerWaalsContact O-N 3.14Å; Y189-F192 PolarHBondContact O-N 3.31Å; Y189-V193 PolarHBondContact O-N 3.14Å
190	G	84.3	Confident	86.1	Confident	4 Å²	4	43.3 Å²	43.3	4%	0.041	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-30.2	-169.9	0	0	0	0	0	114.3	F186 F192 V193 R194 F201	F186-G190 WeakPolarHBondContact O-CA 3.41Å; F186-G190 PolarHBondContact O-N 3.39Å; G190-F192 VanDerWaalsContact C-N 3.32Å; G190-F192 PolarHBondContact O-N 3.23Å; G190-V193 PolarHBondContact O-N 2.94Å; G190-R194 WeakPolarHBondContact O-CB 3.44Å; G190-R194 PolarHBondContact O-N 3.24Å; G190-F201 VanDerWaalsContact CA-CZ 3.46Å
191	Q	86	Confident	86.5	Confident	126 Å²	126	42.5 Å²	42.5	59%	0.589	23%	0.228	S	C	*	.	H	α-helix	trans	-56.4	-47.5	174.2	-173	175.1	-2.9	0	0	111.3	Y189 V193 R194 D195	Y189-Q191 PolarHBondContact O-N 2.99Å; Y189-Q191 VanDerWaalsContact O-N 3.14Å; Q191-V193 VanDerWaalsContact C-N 3.34Å; Q191-V193 PolarHBondContact O-N 3.47Å; Q191-R194 PolarHBondContact O-N 3.06Å; Q191-D195 PolarHBondContact O-N 3.32Å; Q191-D195 VanDerWaalsContact O-N 3.12Å
192	F	86.9	Confident	87	Confident	66 Å²	66	43.8 Å²	43.8	29%	0.289	23%	0.234	S	C	.	.	H	α-helix	trans	-70.6	-29.4	-179.8	-51.7	-74	0	0	0	113.3	F152 L157 L160 Y189 G190	F152-F192 HydrophobicContact CD2-CD2 4.39Å; F152-F192 HydrophobicContact CD2-CE2 4.05Å; F152-F192 HydrophobicContact CE2-CD2 4.24Å; F152-F192 AromaticContact CE2-CE2 3.49Å; F152-F192 HydrophobicContact CE2-CE2 3.49Å; F152-F192 VanDerWaalsContact CE2-CE2 3.49Å; F152-F192 AromaticContact CE2-CZ 3.69Å; F152-F192 HydrophobicContact CE2-CZ 3.69Å; L157-F192 HydrophobicContact CD1-CD1 3.88Å; L157-F192 HydrophobicContact CD1-CE1 3.96Å; L157-F192 HydrophobicContact CD2-CD1 4.28Å; L157-F192 HydrophobicContact CD2-CE1 4.5Å; L157-F192 HydrophobicContact CD2-CG 4.32Å; L157-F192 HydrophobicContact CG-CD1 4.49Å; L160-F192 HydrophobicContact CD1-CB 4.19Å; L160-F192 HydrophobicContact CD1-CD2 4.47Å; Y189-F192 PolarHBondContact O-N 3.31Å; G190-F192 VanDerWaalsContact C-N 3.32Å; G190-F192 PolarHBondContact O-N 3.23Å
193	V	87.6	Confident	87.2	Confident	1 Å²	1	46 Å²	46	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-78.2	-41.5	177.6	-178.5	0	0	0	0	110.7	L160 Y164 L165 Y189 G190 Q191 D195 A196 F201	L160-V193 HydrophobicContact CB-CG2 4.13Å; Y164-V193 HydrophobicContact CD2-CG2 4.1Å; Y164-V193 HydrophobicContact CG-CG2 4.46Å; L165-V193 HydrophobicContact CD1-CG1 4.5Å; L165-V193 HydrophobicContact CD2-CG1 3.72Å; L165-V193 HydrophobicContact CG-CG1 3.86Å; Y189-V193 PolarHBondContact O-N 3.14Å; G190-V193 PolarHBondContact O-N 2.94Å; Q191-V193 VanDerWaalsContact C-N 3.34Å; Q191-V193 PolarHBondContact O-N 3.47Å; V193-D195 VanDerWaalsContact C-N 3.33Å; V193-D195 PolarHBondContact O-N 2.74Å; V193-A196 PolarHBondContact O-N 3.32Å; V193-F201 HydrophobicContact CB-CD2 3.95Å; V193-F201 HydrophobicContact CB-CE2 4.06Å; V193-F201 HydrophobicContact CG1-CD2 3.55Å; V193-F201 HydrophobicContact CG1-CE2 4.05Å; V193-F201 HydrophobicContact CG1-CG 4.48Å
194	R	88.8	Confident	87.4	Confident	118 Å²	118	45.9 Å²	45.9	45%	0.445	24%	0.244	S	C	.	.	H	α-helix	trans	-65.1	-36	179.8	-168.9	179.2	-167.1	-154.5	-1.5	112	G190 Q191 A196 H197 P198 F201 D202	G190-R194 WeakPolarHBondContact O-CB 3.44Å; G190-R194 PolarHBondContact O-N 3.24Å; Q191-R194 PolarHBondContact O-N 3.06Å; R194-A196 PolarHBondContact O-N 2.77Å; R194-H197 CarbonylContact O-C 3.58Å; R194-H197 PolarHBondContact O-N 2.99Å; R194-P198 HydrophobicContact CG-CB 4.06Å; R194-P198 VanDerWaalsContact O-CA 3.24Å; R194-P198 WeakPolarHBondContact O-CA 3.5Å; R194-P198 WeakPolarHBondContact O-CD 3.2Å; R194-F201 HydrophobicContact CB-CB 4.33Å; R194-F201 HydrophobicContact CB-CD1 3.63Å; R194-F201 HydrophobicContact CB-CE1 4.1Å; R194-F201 HydrophobicContact CB-CG 3.98Å; R194-F201 HydrophobicContact CG-CB 4.4Å; R194-F201 HydrophobicContact CG-CD1 3.73Å; R194-F201 HydrophobicContact CG-CE1 4.42Å; R194-F201 HydrophobicContact CG-CG 4.31Å; R194-D202 IonicContact CZ-OD1 2.56Å; R194-D202 IonicContact CZ-OD2 3.08Å; R194-D202 IonicContact NE-OD1 3.75Å; R194-D202 PolarHBondContact NE-OD1 2.98Å; R194-D202 IonicContact NE-OD2 3.6Å; R194-D202 PolarHBondContact NE-OD2 3.31Å; R194-D202 IonicContact NH2-OD1 3.57Å; R194-D202 PolarHBondContact NH2-OD1 2.98Å; R194-D202 IonicContact NH2-OD2 3.82Å; R194-D202 PolarHBondContact NH2-OD2 2.75Å
195	D	88.8	Confident	87.7	Confident	122 Å²	122	46.5 Å²	46.5	65%	0.652	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.2	177.2	-70.9	-16.9	0	0	0	112.6	Q191 V193	Q191-D195 PolarHBondContact O-N 3.32Å; Q191-D195 VanDerWaalsContact O-N 3.12Å; V193-D195 VanDerWaalsContact C-N 3.33Å; V193-D195 PolarHBondContact O-N 2.74Å
196	A	88.1	Confident	87.9	Confident	50 Å²	50	51.6 Å²	51.6	41%	0.413	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-47.6	177	0	0	0	0	0	112.5	A161 V193 R194	A161-A196 HydrophobicContact CB-CB 3.6Å; V193-A196 PolarHBondContact O-N 3.32Å; R194-A196 PolarHBondContact O-N 2.77Å
197	H	88.3	Confident	87.8	Confident	104 Å²	104	51.5 Å²	51.5	48%	0.481	27%	0.27	S	S	.	.			trans	-145.9	90.5	178.8	-74.7	-72.4	0	0	0	111	L165 R194 L200 F201	L165-H197 HydrophobicContact CD1-CB 3.88Å; R194-H197 CarbonylContact O-C 3.58Å; R194-H197 PolarHBondContact O-N 2.99Å; H197-L200 HydrophobicContact CB-CB 4.09Å; H197-F201 WeakPolarHBondContact O-CB 3.21Å; H197-F201 PolarHBondContact O-N 3.34Å
198	P	89.8	Confident	88	Confident	72 Å²	72	48.2 Å²	48.2	47%	0.468	25%	0.25	S	S	.	.	H	α-helix	trans	-69	-43.5	-170.4	23.6	-32.8	0	0	0	112.9	R194 F201 D202	R194-P198 HydrophobicContact CG-CB 4.06Å; R194-P198 VanDerWaalsContact O-CA 3.24Å; R194-P198 WeakPolarHBondContact O-CA 3.5Å; R194-P198 WeakPolarHBondContact O-CD 3.2Å; P198-F201 PolarHBondContact O-N 3.28Å; P198-D202 WeakPolarHBondContact O-CB 3.46Å; P198-D202 PolarHBondContact O-N 2.99Å
199	A	89.9	Confident	88.4	Confident	42 Å²	42	47.1 Å²	47.1	35%	0.347	24%	0.243	S	C	.	.	H	α-helix	trans	-63.3	-47.7	-179.3	0	0	0	0	0	111.8	D202 Q203	A199-D202 PolarHBondContact O-N 3.06Å; A199-Q203 WeakPolarHBondContact O-CB 3.35Å; A199-Q203 WeakPolarHBondContact O-CG 3.31Å; A199-Q203 PolarHBondContact O-N 2.92Å
200	L	90.4	Very high	88.2	Confident	8 Å²	8	50.7 Å²	50.7	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-62.4	-44.5	177	-179.7	61.7	0	0	0	112.4	L165 H197 Q203 M204 E237 L238 L241	L165-L200 HydrophobicContact CB-CD2 4.18Å; L165-L200 HydrophobicContact CD1-CD2 4.46Å; L165-L200 HydrophobicContact CD2-CD2 3.98Å; L165-L200 HydrophobicContact CD2-CG 4.2Å; L165-L200 HydrophobicContact CG-CD2 4.44Å; H197-L200 HydrophobicContact CB-CB 4.09Å; L200-Q203 PolarHBondContact O-N 2.83Å; L200-M204 HydrophobicContact CD1-CE 3.95Å; L200-M204 HydrophobicContact CD1-CG 4.25Å; L200-M204 HydrophobicContact CD2-CE 4.31Å; L200-M204 HydrophobicContact CG-CE 4.12Å; L200-M204 HydrophobicContact CG-CG 4.47Å; L200-M204 HydrophobicContact CG-SD 4.38Å; L200-M204 WeakPolarHBondContact O-CB 3.4Å; L200-M204 VanDerWaalsContact O-CG 3.32Å; L200-M204 WeakPolarHBondContact O-CG 3.18Å; L200-M204 PolarHBondContact O-N 3.24Å; L200-E237 HydrophobicContact CD1-CB 4.32Å; L200-L238 HydrophobicContact CD1-CB 4.08Å; L200-L238 HydrophobicContact CD1-CD1 4.2Å; L200-L241 HydrophobicContact CD1-CD1 3.59Å; L200-L241 HydrophobicContact CD2-CD1 3.29Å; L200-L241 HydrophobicContact CG-CD1 4.07Å
201	F	91.9	Very high	88	Confident	5 Å²	5	52.1 Å²	52.1	2%	0.022	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-47	178.5	177.9	-95.7	0	0	0	111.5	L165 F186 G190 V193 R194 H197 P198 Q203 M204 Q205	L165-F201 HydrophobicContact CD2-CB 4.4Å; F186-F201 HydrophobicContact CB-CE2 4.18Å; F186-F201 HydrophobicContact CB-CZ 3.96Å; F186-F201 AromaticContact CD1-CE2 3.97Å; F186-F201 HydrophobicContact CD1-CE2 3.97Å; F186-F201 AromaticContact CD2-CE2 3.78Å; F186-F201 HydrophobicContact CD2-CE2 3.78Å; F186-F201 HydrophobicContact CD2-CZ 4.03Å; F186-F201 HydrophobicContact CE1-CE2 4.25Å; F186-F201 HydrophobicContact CE2-CD2 4.49Å; F186-F201 HydrophobicContact CE2-CE2 4.07Å; F186-F201 AromaticContact CG-CE2 3.72Å; F186-F201 HydrophobicContact CG-CE2 3.72Å; F186-F201 AromaticContact CG-CZ 3.97Å; F186-F201 HydrophobicContact CG-CZ 3.97Å; F186-F201 HydrophobicContact CZ-CE2 4.3Å; G190-F201 VanDerWaalsContact CA-CZ 3.46Å; V193-F201 HydrophobicContact CB-CD2 3.95Å; V193-F201 HydrophobicContact CB-CE2 4.06Å; V193-F201 HydrophobicContact CG1-CD2 3.55Å; V193-F201 HydrophobicContact CG1-CE2 4.05Å; V193-F201 HydrophobicContact CG1-CG 4.48Å; R194-F201 HydrophobicContact CB-CB 4.33Å; R194-F201 HydrophobicContact CB-CD1 3.63Å; R194-F201 HydrophobicContact CB-CE1 4.1Å; R194-F201 HydrophobicContact CB-CG 3.98Å; R194-F201 HydrophobicContact CG-CB 4.4Å; R194-F201 HydrophobicContact CG-CD1 3.73Å; R194-F201 HydrophobicContact CG-CE1 4.42Å; R194-F201 HydrophobicContact CG-CG 4.31Å; H197-F201 WeakPolarHBondContact O-CB 3.21Å; H197-F201 PolarHBondContact O-N 3.34Å; P198-F201 PolarHBondContact O-N 3.28Å; F201-Q203 VanDerWaalsContact C-N 3.34Å; F201-Q203 PolarHBondContact O-N 3.01Å; F201-M204 PolarHBondContact O-N 3.34Å; F201-Q205 VanDerWaalsContact O-CB 3.26Å; F201-Q205 WeakPolarHBondContact O-CB 3.37Å; F201-Q205 PolarHBondContact O-N 3.17Å
202	D	90.6	Very high	87.8	Confident	54 Å²	54	46.1 Å²	46.1	29%	0.289	23%	0.233	S	C	.	.	H	α-helix	trans	-61.8	-42.8	179.6	-69	-11.8	0	0	0	110.7	R194 P198 A199 Q205 E206	R194-D202 IonicContact CZ-OD1 2.56Å; R194-D202 IonicContact CZ-OD2 3.08Å; R194-D202 IonicContact NE-OD1 3.75Å; R194-D202 PolarHBondContact NE-OD1 2.98Å; R194-D202 IonicContact NE-OD2 3.6Å; R194-D202 PolarHBondContact NE-OD2 3.31Å; R194-D202 IonicContact NH2-OD1 3.57Å; R194-D202 PolarHBondContact NH2-OD1 2.98Å; R194-D202 IonicContact NH2-OD2 3.82Å; R194-D202 PolarHBondContact NH2-OD2 2.75Å; P198-D202 WeakPolarHBondContact O-CB 3.46Å; P198-D202 PolarHBondContact O-N 2.99Å; A199-D202 PolarHBondContact O-N 3.06Å; D202-Q205 PolarHBondContact O-N 2.96Å; D202-E206 WeakPolarHBondContact O-CB 3.46Å; D202-E206 PolarHBondContact O-N 2.88Å
203	Q	89.6	Confident	87.4	Confident	48 Å²	48	43.4 Å²	43.4	22%	0.224	22%	0.221	C	C	.	.	H	α-helix	trans	-63	-44.5	174.9	-72.6	168.7	4.6	0	0	112.6	A199 L200 F201 L207 S236 L238	A199-Q203 WeakPolarHBondContact O-CB 3.35Å; A199-Q203 WeakPolarHBondContact O-CG 3.31Å; A199-Q203 PolarHBondContact O-N 2.92Å; L200-Q203 PolarHBondContact O-N 2.83Å; F201-Q203 VanDerWaalsContact C-N 3.34Å; F201-Q203 PolarHBondContact O-N 3.01Å; Q203-L207 WeakPolarHBondContact O-CB 3.24Å; Q203-L207 PolarHBondContact O-N 2.73Å; Q203-S236 VanDerWaalsContact CD-OG 3.29Å; Q203-S236 PolarHBondContact OE1-OG 3.45Å; Q203-L238 HydrophobicContact CB-CB 4.23Å; Q203-L238 HydrophobicContact CB-CD2 4.27Å
204	M	90.8	Very high	86.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-43	177	-77.3	-171.4	170.6	0	0	111.8	L165 L167 L170 F186 L200 F201 L207 L208 F225 L238	L165-M204 HydrophobicContact CD2-SD 4.29Å; L165-M204 VanDerWaalsContact O-CE 3.31Å; L165-M204 WeakPolarHBondContact O-CE 3.39Å; L167-M204 HydrophobicContact CD2-CE 3.48Å; L167-M204 VanDerWaalsContact CD2-CE 3.48Å; L167-M204 HydrophobicContact CG-CE 4.09Å; L170-M204 HydrophobicContact CD1-CE 4.46Å; L170-M204 HydrophobicContact CD1-SD 3.86Å; F186-M204 HydrophobicContact CE2-CB 4.32Å; L200-M204 HydrophobicContact CD1-CE 3.95Å; L200-M204 HydrophobicContact CD1-CG 4.25Å; L200-M204 HydrophobicContact CD2-CE 4.31Å; L200-M204 HydrophobicContact CG-CE 4.12Å; L200-M204 HydrophobicContact CG-CG 4.47Å; L200-M204 HydrophobicContact CG-SD 4.38Å; L200-M204 WeakPolarHBondContact O-CB 3.4Å; L200-M204 VanDerWaalsContact O-CG 3.32Å; L200-M204 WeakPolarHBondContact O-CG 3.18Å; L200-M204 PolarHBondContact O-N 3.24Å; F201-M204 PolarHBondContact O-N 3.34Å; M204-L207 PolarHBondContact O-N 3.41Å; M204-L208 WeakPolarHBondContact O-CG 3.39Å; M204-L208 PolarHBondContact O-N 3.49Å; M204-F225 HydrophobicContact CB-CZ 4.48Å; M204-F225 HydrophobicContact CG-CZ 4.35Å; M204-L238 HydrophobicContact CE-CD1 3.86Å; M204-L238 HydrophobicContact CG-CD1 3.75Å; M204-L238 HydrophobicContact CG-CD2 4.25Å
205	Q	89.8	Confident	86.2	Confident	44 Å²	44	39 Å²	39	21%	0.206	21%	0.205	C	C	.	.	H	α-helix	trans	-63.5	-49.3	178.5	179.4	174.6	12.4	0	0	110.4	F186 F201 D202 L207 L208 Q209	F186-Q205 HydrophobicContact CD2-CB 3.97Å; F186-Q205 HydrophobicContact CD2-CG 4.26Å; F186-Q205 HydrophobicContact CE2-CB 4.28Å; F201-Q205 VanDerWaalsContact O-CB 3.26Å; F201-Q205 WeakPolarHBondContact O-CB 3.37Å; F201-Q205 PolarHBondContact O-N 3.17Å; D202-Q205 PolarHBondContact O-N 2.96Å; Q205-L207 VanDerWaalsContact C-N 3.32Å; Q205-L207 PolarHBondContact O-N 3.4Å; Q205-L208 PolarHBondContact O-N 3.47Å; Q205-Q209 HydrophobicContact CG-CG 4.26Å; Q205-Q209 WeakPolarHBondContact O-CB 3.21Å; Q205-Q209 WeakPolarHBondContact O-CG 3.39Å; Q205-Q209 PolarHBondContact O-N 3.29Å
206	E	87.1	Confident	85.5	Confident	110 Å²	110	34.4 Å²	34.4	51%	0.514	18%	0.184	S	C	.	.	H	α-helix	trans	-57.4	-45.3	177.2	-173.6	-176.9	166.9	0	0	111.6	D202 L208 Q209 R210	D202-E206 WeakPolarHBondContact O-CB 3.46Å; D202-E206 PolarHBondContact O-N 2.88Å; E206-L208 PolarHBondContact O-N 3.09Å; E206-Q209 PolarHBondContact O-N 3.43Å; E206-R210 WeakPolarHBondContact O-CB 3.34Å; E206-R210 PolarHBondContact O-N 3.01Å
207	L	86.9	Confident	84.5	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-45.4	177.3	-167.3	151.6	0	0	0	111.5	Q203 M204 Q205 Y211 F225 R228 A229 Q232 L238	Q203-L207 WeakPolarHBondContact O-CB 3.24Å; Q203-L207 PolarHBondContact O-N 2.73Å; M204-L207 PolarHBondContact O-N 3.41Å; Q205-L207 VanDerWaalsContact C-N 3.32Å; Q205-L207 PolarHBondContact O-N 3.4Å; L207-Y211 HydrophobicContact CD2-CD2 4.37Å; L207-Y211 HydrophobicContact CG-CD2 4.07Å; L207-Y211 WeakPolarHBondContact O-CB 3.42Å; L207-Y211 VanDerWaalsContact O-CD2 3.26Å; L207-Y211 WeakPolarHBondContact O-CD2 3.33Å; L207-Y211 PolarHBondContact O-N 2.82Å; L207-Y211 VanDerWaalsContact O-N 3.09Å; L207-F225 HydrophobicContact CD2-CD2 3.62Å; L207-F225 HydrophobicContact CD2-CE2 3.45Å; L207-F225 VanDerWaalsContact CD2-CE2 3.45Å; L207-R228 HydrophobicContact CD1-CB 4.01Å; L207-R228 HydrophobicContact CD2-CB 3.78Å; L207-R228 HydrophobicContact CG-CB 4.31Å; L207-A229 HydrophobicContact CD1-CB 4.48Å; L207-Q232 HydrophobicContact CD1-CG 3.85Å; L207-L238 HydrophobicContact CB-CD2 4.28Å; L207-L238 HydrophobicContact CD1-CD2 3.7Å
208	L	87.3	Confident	83.2	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-42.3	177	-73.5	174.5	0	0	0	111.9	I174 V182 L183 F186 M204 Q205 E206 Y211 C212 L215 F225	I174-L208 HydrophobicContact CD1-CD2 3.76Å; V182-L208 HydrophobicContact CB-CD1 4.32Å; V182-L208 HydrophobicContact CG1-CD1 3.59Å; L183-L208 HydrophobicContact CD2-CB 3.62Å; L183-L208 HydrophobicContact CD2-CD1 4.41Å; L183-L208 HydrophobicContact CG-CB 4.16Å; F186-L208 HydrophobicContact CD2-CD1 4.2Å; F186-L208 HydrophobicContact CE2-CD1 3.63Å; F186-L208 HydrophobicContact CZ-CD1 4.03Å; M204-L208 WeakPolarHBondContact O-CG 3.39Å; M204-L208 PolarHBondContact O-N 3.49Å; Q205-L208 PolarHBondContact O-N 3.47Å; E206-L208 PolarHBondContact O-N 3.09Å; L208-Y211 PolarHBondContact O-N 2.97Å; L208-C212 WeakPolarHBondContact O-CA 3.09Å; L208-C212 WeakPolarHBondContact O-CB 3.47Å; L208-C212 PolarHBondContact O-N 3.15Å; L208-L215 HydrophobicContact CD2-CD1 3.7Å; L208-F225 HydrophobicContact CD1-CE2 4.41Å; L208-F225 HydrophobicContact CD2-CD2 3.67Å; L208-F225 HydrophobicContact CD2-CE2 3.41Å; L208-F225 VanDerWaalsContact CD2-CE2 3.41Å; L208-F225 HydrophobicContact CD2-CZ 4.29Å; L208-F225 HydrophobicContact CG-CD2 4.37Å; L208-F225 HydrophobicContact CG-CE2 3.62Å; L208-F225 HydrophobicContact CG-CZ 4.24Å
209	Q	87.6	Confident	81.4	Confident	10 Å²	10	30.8 Å²	30.8	5%	0.047	16%	0.157	C	C	.	.	H	α-helix	trans	-63.8	-45.6	-179.2	-69.2	172.2	-9.5	0	0	111.5	L183 Q205 E206 Y273 M274	L183-Q209 HydrophobicContact CD2-CG 3.79Å; Q205-Q209 HydrophobicContact CG-CG 4.26Å; Q205-Q209 WeakPolarHBondContact O-CB 3.21Å; Q205-Q209 WeakPolarHBondContact O-CG 3.39Å; Q205-Q209 PolarHBondContact O-N 3.29Å; E206-Q209 PolarHBondContact O-N 3.43Å; Q209-Y273 HydrophobicContact CB-CD1 3.84Å; Q209-Y273 HydrophobicContact CB-CD2 4.31Å; Q209-Y273 HydrophobicContact CB-CE1 3.83Å; Q209-Y273 HydrophobicContact CB-CE2 4.28Å; Q209-Y273 HydrophobicContact CB-CG 4.13Å; Q209-Y273 VanDerWaalsContact CD-OH 3.25Å; Q209-Y273 HydrophobicContact CG-CD1 3.89Å; Q209-Y273 HydrophobicContact CG-CE1 3.33Å; Q209-Y273 HydrophobicContact CG-CE2 4.04Å; Q209-Y273 HydrophobicContact CG-CG 4.48Å; Q209-Y273 VanDerWaalsContact CG-CZ 3.45Å; Q209-Y273 PolarHBondContact NE2-OH 3.13Å; Q209-Y273 WeakPolarHBondContact O-CA 3.21Å; Q209-M274 PolarHBondContact O-N 3.48Å
210	R	82.3	Confident	79.5	Confident	77 Å²	77	29.1 Å²	29.1	29%	0.291	14%	0.144	S	C	.	.	H	α-helix	trans	-69.8	-32.5	-178.7	-168.4	170.8	176.7	154.1	-1	112.7	E206 S270 M274	E206-R210 WeakPolarHBondContact O-CB 3.34Å; E206-R210 PolarHBondContact O-N 3.01Å; R210-S270 PolarHBondContact NH1-OG 2.9Å; R210-S270 PolarHBondContact NH2-OG 3.11Å; R210-M274 VanDerWaalsContact O-CE 3.3Å; R210-M274 WeakPolarHBondContact O-CE 3.32Å
211	Y	79.2	Confident	77.6	Confident	33 Å²	33	37.7 Å²	37.7	13%	0.129	18%	0.176	C	C	.	.	H	α-helix	trans	-120.7	12.9	-170.7	-57.2	-65.8	0	0	0	115.8	L207 L208 Y213 H214 L215 E918	L207-Y211 HydrophobicContact CD2-CD2 4.37Å; L207-Y211 HydrophobicContact CG-CD2 4.07Å; L207-Y211 WeakPolarHBondContact O-CB 3.42Å; L207-Y211 VanDerWaalsContact O-CD2 3.26Å; L207-Y211 WeakPolarHBondContact O-CD2 3.33Å; L207-Y211 PolarHBondContact O-N 2.82Å; L207-Y211 VanDerWaalsContact O-N 3.09Å; L208-Y211 PolarHBondContact O-N 2.97Å; Y211-Y213 VanDerWaalsContact C-N 3.27Å; Y211-Y213 PolarHBondContact O-N 2.78Å; Y211-H214 PolarHBondContact O-N 3.32Å; Y211-L215 WeakPolarHBondContact O-CG 3.45Å; Y211-L215 PolarHBondContact O-N 3.36Å; Y211-L215 VanDerWaalsContact O-N 3.08Å; Y211-E918 WeakPolarHBondContact CD1-OE1 3.26Å; Y211-E918 WeakPolarHBondContact CD1-OE2 3.48Å; Y211-E918 VanDerWaalsContact CE1-CD 3.46Å; Y211-E918 WeakPolarHBondContact CE1-OE2 3.34Å; Y211-E918 PolarHBondContact OH-OE2 3.07Å; Y211-E918 VanDerWaalsContact OH-OE2 3.09Å
212	C	82.2	Confident	75.3	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.007	20%	0.202	C	C	.	.	H	α-helix	trans	-53.7	-43.2	179	168.7	0	0	0	0	111.7	P179 L183 L208 H214 L215 A216 M274	P179-C212 HydrophobicContact CB-CB 4.31Å; P179-C212 HydrophobicContact CG-CB 4.37Å; P179-C212 VanDerWaalsContact CG-O 3.3Å; P179-C212 WeakPolarHBondContact CG-O 3.45Å; P179-C212 VanDerWaalsContact CG-SG 3.57Å; L183-C212 HydrophobicContact CD1-CB 4.08Å; L208-C212 WeakPolarHBondContact O-CA 3.09Å; L208-C212 WeakPolarHBondContact O-CB 3.47Å; L208-C212 PolarHBondContact O-N 3.15Å; C212-H214 PolarHBondContact O-N 2.96Å; C212-L215 PolarHBondContact O-N 3.23Å; C212-A216 WeakPolarHBondContact O-CB 3.45Å; C212-A216 PolarHBondContact O-N 3.27Å; C212-M274 VanDerWaalsContact CB-O 3.23Å; C212-M274 WeakPolarHBondContact CB-O 3Å
213	Y	78.1	Confident	73.5	Confident	9 Å²	9	41 Å²	41	4%	0.035	19%	0.19	C	C	.	.	H	α-helix	trans	-55.4	-51	176.1	177.2	-101.9	0	0	0	113.5	Y211 L215 A216 I217 M274 R603 D605 A607	Y211-Y213 VanDerWaalsContact C-N 3.27Å; Y211-Y213 PolarHBondContact O-N 2.78Å; Y213-L215 PolarHBondContact O-N 3.04Å; Y213-A216 WeakPolarHBondContact O-CB 3.45Å; Y213-A216 PolarHBondContact O-N 2.77Å; Y213-A216 VanDerWaalsContact O-N 3.15Å; Y213-I217 HydrophobicContact CD1-CD1 3.64Å; Y213-I217 HydrophobicContact CD1-CG1 4.45Å; Y213-I217 HydrophobicContact CE1-CD1 3.05Å; Y213-I217 HydrophobicContact CE1-CG1 4.01Å; Y213-I217 HydrophobicContact CE2-CD1 4.11Å; Y213-I217 HydrophobicContact CE2-CG1 4.22Å; Y213-I217 HydrophobicContact CG-CD1 4.36Å; Y213-I217 WeakPolarHBondContact O-CG1 3.39Å; Y213-I217 PolarHBondContact O-N 3.47Å; Y213-I217 VanDerWaalsContact O-N 3.08Å; Y213-I217 WeakPolarHBondContact OH-CD1 3.2Å; Y213-M274 HydrophobicContact CD1-CE 4.49Å; Y213-M274 HydrophobicContact CD1-SD 4.15Å; Y213-M274 HydrophobicContact CG-CG 4.25Å; Y213-M274 HydrophobicContact CG-SD 4.27Å; Y213-M274 PolarHBondContact N-O 2.99Å; Y213-R603 VanDerWaalsContact CE1-NH2 3.26Å; Y213-D605 WeakPolarHBondContact OH-CB 3.22Å; Y213-D605 PolarHBondContact OH-O 3.21Å; Y213-D605 PolarHBondContact OH-OD2 2.86Å; Y213-A607 HydrophobicContact CD1-CB 4.15Å; Y213-A607 HydrophobicContact CD2-CB 3.56Å; Y213-A607 HydrophobicContact CE1-CB 4Å; Y213-A607 HydrophobicContact CE2-CB 3.44Å; Y213-A607 VanDerWaalsContact CE2-CB 3.44Å; Y213-A607 HydrophobicContact CG-CB 3.96Å
214	H	73.6	Confident	72.4	Confident	24 Å²	24	40.4 Å²	40.4	11%	0.111	19%	0.188	C	C	.	.	H	α-helix	trans	-71.7	-30.3	-177.4	-64.3	-88.2	0	0	0	113	Y211 C212 A216 R228 M274 E902	Y211-H214 PolarHBondContact O-N 3.32Å; C212-H214 PolarHBondContact O-N 2.96Å; H214-A216 VanDerWaalsContact C-N 3.28Å; H214-R228 VanDerWaalsContact CB-CZ 3.44Å; H214-M274 WeakPolarHBondContact CD2-CE 3.43Å; H214-M274 VanDerWaalsContact NE2-CE 3.34Å; H214-M274 WeakPolarHBondContact NE2-CE 3.49Å; H214-E902 IonicContact CE1-OE1 3.58Å; H214-E902 PolarHBondContact CE1-OE1 3.35Å; H214-E902 IonicContact CG-OE1 3.11Å; H214-E902 IonicContact ND1-OE1 3.52Å; H214-E902 PolarHBondContact ND1-OE1 2.89Å
215	L	77.2	Confident	71.7	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-65.5	-35.3	171.4	-70.8	171	0	0	0	110.8	I174 P179 L208 Y211 C212 Y213 G220 F225 R228	I174-L215 HydrophobicContact CD1-CD1 4.42Å; I174-L215 HydrophobicContact CG2-CB 4.13Å; I174-L215 HydrophobicContact CG2-CD2 4.49Å; P179-L215 HydrophobicContact CB-CB 4.14Å; P179-L215 HydrophobicContact CB-CD1 4.29Å; P179-L215 HydrophobicContact CG-CB 3.93Å; L208-L215 HydrophobicContact CD2-CD1 3.7Å; Y211-L215 WeakPolarHBondContact O-CG 3.45Å; Y211-L215 PolarHBondContact O-N 3.36Å; Y211-L215 VanDerWaalsContact O-N 3.08Å; C212-L215 PolarHBondContact O-N 3.23Å; Y213-L215 PolarHBondContact O-N 3.04Å; L215-G220 PolarHBondContact O-N 2.89Å; L215-F225 HydrophobicContact CD1-CD2 4.22Å; L215-F225 HydrophobicContact CD2-CB 4.29Å; L215-R228 VanDerWaalsContact CG-NH1 3.27Å
216	A	75	Confident	71.2	Confident	26 Å²	26	38.5 Å²	38.5	22%	0.215	18%	0.179	C	C	.	.	H	α-helix	trans	-73.5	-43.6	-180	0	0	0	0	0	113.6	P179 C212 Y213 H214 N218 N219	P179-A216 HydrophobicContact CG-CB 4.01Å; C212-A216 WeakPolarHBondContact O-CB 3.45Å; C212-A216 PolarHBondContact O-N 3.27Å; Y213-A216 WeakPolarHBondContact O-CB 3.45Å; Y213-A216 PolarHBondContact O-N 2.77Å; Y213-A216 VanDerWaalsContact O-N 3.15Å; H214-A216 VanDerWaalsContact C-N 3.28Å; A216-N218 VanDerWaalsContact C-N 3.27Å; A216-N218 PolarHBondContact O-N 3.12Å; A216-N219 PolarHBondContact O-N 3.44Å
217	I	67.5	Low	70.5	Confident	54 Å²	54	33.6 Å²	33.6	28%	0.277	16%	0.156	S	C	.	.	H	α-helix	trans	-57.2	-40.7	-175.9	-67.1	161.1	0	0	0	112.3	Y213 N219 L882	Y213-I217 HydrophobicContact CD1-CD1 3.64Å; Y213-I217 HydrophobicContact CD1-CG1 4.45Å; Y213-I217 HydrophobicContact CE1-CD1 3.05Å; Y213-I217 HydrophobicContact CE1-CG1 4.01Å; Y213-I217 HydrophobicContact CE2-CD1 4.11Å; Y213-I217 HydrophobicContact CE2-CG1 4.22Å; Y213-I217 HydrophobicContact CG-CD1 4.36Å; Y213-I217 WeakPolarHBondContact O-CG1 3.39Å; Y213-I217 PolarHBondContact O-N 3.47Å; Y213-I217 VanDerWaalsContact O-N 3.08Å; Y213-I217 WeakPolarHBondContact OH-CD1 3.2Å; I217-N219 VanDerWaalsContact C-N 3.33Å; I217-L882 HydrophobicContact CG2-CD1 3.83Å
218	N	59.5	Low	70	Confident	36 Å²	36	33.5 Å²	33.5	19%	0.193	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	10.3	-173.1	-65.3	-68.3	0	0	0	112.9	A216 G220 R221 L223	A216-N218 VanDerWaalsContact C-N 3.27Å; A216-N218 PolarHBondContact O-N 3.12Å; N218-G220 PolarHBondContact O-N 3.41Å; N218-R221 WeakPolarHBondContact O-CB 2.9Å; N218-R221 PolarHBondContact O-N 3.26Å; N218-L223 HydrophobicContact CB-CB 4.43Å; N218-L223 HydrophobicContact CB-CD1 4.29Å; N218-L223 WeakPolarHBondContact ND2-CD1 3.4Å
219	N	52.4	Low	69.7	Low	61 Å²	61	33.5 Å²	33.5	33%	0.326	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	32.2	-172.8	-67.5	-26.2	0	0	0	112.7	A216 I217 R221	A216-N219 PolarHBondContact O-N 3.44Å; I217-N219 VanDerWaalsContact C-N 3.33Å; N219-R221 HydrophobicContact CB-CG 4.25Å; N219-R221 PolarHBondContact O-N 3.43Å
220	G	50.6	Low	69.1	Low	7 Å²	7	33.5 Å²	33.5	7%	0.072	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	1.7	-170.1	0	0	0	0	0	116.5	L215 N218 H222	L215-G220 PolarHBondContact O-N 2.89Å; N218-G220 PolarHBondContact O-N 3.41Å; G220-H222 PolarHBondContact O-N 2.99Å
221	R	49.5	Very low	68.7	Low	187 Å²	187	30.6 Å²	30.6	71%	0.706	15%	0.146	S	C	*	.	S	Bend	trans	-71.1	-32.2	-170.7	-68.8	-175.2	176.3	178.1	-1.7	114.3	N218 N219	N218-R221 WeakPolarHBondContact O-CB 2.9Å; N218-R221 PolarHBondContact O-N 3.26Å; N219-R221 HydrophobicContact CB-CG 4.25Å; N219-R221 PolarHBondContact O-N 3.43Å
222	H	45.2	Very low	68.6	Low	126 Å²	126	31 Å²	31	58%	0.583	15%	0.149	S	C	*	.	S	Bend	trans	-125	-8.3	-173.5	-62	-59.8	0	0	0	114.1	G220	G220-H222 PolarHBondContact O-N 2.99Å
223	L	52.5	Low	68.2	Low	4 Å²	4	34.2 Å²	34.2	2%	0.021	17%	0.169	C	C	.	.	S	Bend	trans	-135.1	92.6	-174.7	-92.8	130.8	0	0	0	108.3	N218 L915	N218-L223 HydrophobicContact CB-CB 4.43Å; N218-L223 HydrophobicContact CB-CD1 4.29Å; N218-L223 WeakPolarHBondContact ND2-CD1 3.4Å; L223-L915 HydrophobicContact CD2-CB 3.5Å; L223-L915 VanDerWaalsContact CD2-CB 3.5Å; L223-L915 HydrophobicContact CD2-CD1 3.9Å; L223-L915 HydrophobicContact CD2-CD2 3.22Å; L223-L915 HydrophobicContact CD2-CG 3.67Å; L223-L915 HydrophobicContact CG-CB 4.1Å
224	N	65.8	Low	67.9	Low	35 Å²	35	39.4 Å²	39.4	19%	0.187	19%	0.189	C	C	.	.			trans	-80.6	135.6	-172.9	-72.1	-63.6	0	0	0	109.8	I226 Q227 R228 W255	N224-I226 HydrophobicContact CB-CB 4.34Å; N224-I226 PolarHBondContact O-N 3.38Å; N224-Q227 HydrophobicContact CB-CG 4.16Å; N224-Q227 WeakPolarHBondContact O-CA 3.48Å; N224-Q227 WeakPolarHBondContact O-CB 3.49Å; N224-Q227 PolarHBondContact O-N 2.9Å; N224-R228 PolarHBondContact O-N 3.43Å; N224-W255 HydrophobicContact CB-CH2 3.76Å; N224-W255 HydrophobicContact CB-CZ3 3.76Å; N224-W255 VanDerWaalsContact CG-CH2 3.47Å; N224-W255 WeakPolarHBondContact ND2-CH2 3.39Å
225	F	77.5	Confident	68.1	Low	1 Å²	1	44.3 Å²	44.3	0%	0.004	22%	0.216	C	C	.	.	H	α-helix	trans	-46	-35.9	166.5	178.4	-113.6	0	0	0	111.6	L167 L170 I174 M204 L207 L208 L215 R228 A229	L167-F225 HydrophobicContact CD2-CD1 3.96Å; L167-F225 HydrophobicContact CD2-CE1 3.49Å; L167-F225 VanDerWaalsContact CD2-CE1 3.49Å; L167-F225 HydrophobicContact CD2-CZ 4.47Å; L170-F225 HydrophobicContact CB-CD1 4.17Å; L170-F225 HydrophobicContact CB-CE1 4.06Å; L170-F225 HydrophobicContact CD1-CE1 3.62Å; L170-F225 HydrophobicContact CD1-CZ 4Å; I174-F225 HydrophobicContact CD1-CB 3.81Å; I174-F225 HydrophobicContact CD1-CD1 4.33Å; I174-F225 HydrophobicContact CD1-CD2 3.92Å; I174-F225 HydrophobicContact CD1-CG 3.77Å; M204-F225 HydrophobicContact CB-CZ 4.48Å; M204-F225 HydrophobicContact CG-CZ 4.35Å; L207-F225 HydrophobicContact CD2-CD2 3.62Å; L207-F225 HydrophobicContact CD2-CE2 3.45Å; L207-F225 VanDerWaalsContact CD2-CE2 3.45Å; L208-F225 HydrophobicContact CD1-CE2 4.41Å; L208-F225 HydrophobicContact CD2-CD2 3.67Å; L208-F225 HydrophobicContact CD2-CE2 3.41Å; L208-F225 VanDerWaalsContact CD2-CE2 3.41Å; L208-F225 HydrophobicContact CD2-CZ 4.29Å; L208-F225 HydrophobicContact CG-CD2 4.37Å; L208-F225 HydrophobicContact CG-CE2 3.62Å; L208-F225 HydrophobicContact CG-CZ 4.24Å; L215-F225 HydrophobicContact CD1-CD2 4.22Å; L215-F225 HydrophobicContact CD2-CB 4.29Å; F225-R228 PolarHBondContact O-N 3.26Å; F225-A229 WeakPolarHBondContact O-CB 3.3Å; F225-A229 PolarHBondContact O-N 3.35Å
226	I	77.7	Confident	68.4	Low	3 Å²	3	44.6 Å²	44.6	2%	0.015	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-41.7	174	-61.9	152.9	0	0	0	112.8	L167 N224 R228 A229 L230 A242 Y245 T246 W255	L167-I226 HydrophobicContact CB-CG1 4.27Å; N224-I226 HydrophobicContact CB-CB 4.34Å; N224-I226 PolarHBondContact O-N 3.38Å; I226-R228 VanDerWaalsContact C-N 3.3Å; I226-R228 PolarHBondContact O-N 3.44Å; I226-A229 WeakPolarHBondContact O-CB 3.42Å; I226-A229 PolarHBondContact O-N 3.19Å; I226-L230 WeakPolarHBondContact O-CG 3.43Å; I226-L230 PolarHBondContact O-N 3.03Å; I226-A242 HydrophobicContact CG2-CB 4.38Å; I226-Y245 HydrophobicContact CD1-CD1 3.78Å; I226-Y245 HydrophobicContact CD1-CE1 3.32Å; I226-Y245 HydrophobicContact CG1-CD1 4.31Å; I226-Y245 HydrophobicContact CG1-CE1 4.3Å; I226-Y245 HydrophobicContact CG2-CD1 4.26Å; I226-T246 HydrophobicContact CG2-CG2 3.81Å; I226-W255 HydrophobicContact CB-CZ3 4.14Å; I226-W255 HydrophobicContact CG2-CE3 4.3Å; I226-W255 HydrophobicContact CG2-CZ3 4.07Å
227	Q	73.8	Confident	69	Low	7 Å²	7	47.4 Å²	47.4	3%	0.033	23%	0.227	C	C	.	.	H	α-helix	trans	-62.9	-40.7	176.5	-72.3	173.6	-18.6	0	0	110.7	N224 A229 L230 L231 W255	N224-Q227 HydrophobicContact CB-CG 4.16Å; N224-Q227 WeakPolarHBondContact O-CA 3.48Å; N224-Q227 WeakPolarHBondContact O-CB 3.49Å; N224-Q227 PolarHBondContact O-N 2.9Å; Q227-A229 VanDerWaalsContact C-N 3.35Å; Q227-L230 WeakPolarHBondContact O-CB 3.41Å; Q227-L230 PolarHBondContact O-N 2.92Å; Q227-L231 PolarHBondContact O-N 3.09Å; Q227-W255 HydrophobicContact CG-CE3 3.94Å; Q227-W255 HydrophobicContact CG-CZ3 3.65Å
228	R	76.3	Confident	69.9	Low	2 Å²	2	44.9 Å²	44.9	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-65.4	-39	174.7	-69.2	-174.1	154.3	99.8	23.2	112.5	L207 H214 L215 N224 F225 I226 L230 L231 E918	L207-R228 HydrophobicContact CD1-CB 4.01Å; L207-R228 HydrophobicContact CD2-CB 3.78Å; L207-R228 HydrophobicContact CG-CB 4.31Å; H214-R228 VanDerWaalsContact CB-CZ 3.44Å; L215-R228 VanDerWaalsContact CG-NH1 3.27Å; N224-R228 PolarHBondContact O-N 3.43Å; F225-R228 PolarHBondContact O-N 3.26Å; I226-R228 VanDerWaalsContact C-N 3.3Å; I226-R228 PolarHBondContact O-N 3.44Å; R228-L230 PolarHBondContact O-N 3.23Å; R228-L231 WeakPolarHBondContact O-CB 3.49Å; R228-L231 PolarHBondContact O-N 3Å; R228-E918 IonicContact CZ-OE1 2.62Å; R228-E918 IonicContact NE-OE1 2.78Å; R228-E918 PolarHBondContact NE-OE1 2.83Å; R228-E918 IonicContact NH2-OE1 3.98Å; R228-E918 PolarHBondContact NH2-OE1 2.91Å
229	A	80.3	Confident	71	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.1	-32.2	174.3	0	0	0	0	0	112	L207 F225 I226 Q227 L231 Q232 L238 A242	L207-A229 HydrophobicContact CD1-CB 4.48Å; F225-A229 WeakPolarHBondContact O-CB 3.3Å; F225-A229 PolarHBondContact O-N 3.35Å; I226-A229 WeakPolarHBondContact O-CB 3.42Å; I226-A229 PolarHBondContact O-N 3.19Å; Q227-A229 VanDerWaalsContact C-N 3.35Å; A229-L231 VanDerWaalsContact C-N 3.31Å; A229-L231 PolarHBondContact O-N 3.38Å; A229-Q232 WeakPolarHBondContact O-CB 3.3Å; A229-Q232 PolarHBondContact O-N 3.28Å; A229-L238 HydrophobicContact CB-CD1 3.85Å; A229-L238 HydrophobicContact CB-CD2 4.31Å; A229-L238 HydrophobicContact CB-CG 3.75Å; A229-A242 HydrophobicContact CB-CB 3.62Å
230	L	75.8	Confident	72.6	Confident	10 Å²	10	46.9 Å²	46.9	5%	0.052	22%	0.218	C	C	.	.	H	α-helix	trans	-73.6	-16.2	172.8	-67.7	172.7	0	0	0	114.4	I226 Q227 R228 Q232 F239 A242 L243 T246 C258	I226-L230 WeakPolarHBondContact O-CG 3.43Å; I226-L230 PolarHBondContact O-N 3.03Å; Q227-L230 WeakPolarHBondContact O-CB 3.41Å; Q227-L230 PolarHBondContact O-N 2.92Å; R228-L230 PolarHBondContact O-N 3.23Å; L230-Q232 VanDerWaalsContact C-N 3.31Å; L230-F239 HydrophobicContact CD2-CE2 4.26Å; L230-F239 WeakPolarHBondContact O-CD2 3.22Å; L230-F239 VanDerWaalsContact O-CE2 3.29Å; L230-F239 WeakPolarHBondContact O-CE2 3.49Å; L230-A242 HydrophobicContact CD2-CB 3.73Å; L230-A242 HydrophobicContact CG-CB 3.95Å; L230-L243 HydrophobicContact CD2-CB 4.32Å; L230-T246 HydrophobicContact CD1-CG2 4.19Å; L230-C258 HydrophobicContact CB-CB 4.11Å; L230-C258 HydrophobicContact CD1-CB 4.17Å
231	L	73	Confident	74.3	Confident	16 Å²	16	50.2 Å²	50.2	8%	0.084	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-9.4	174.6	-62.4	179.5	0	0	0	112.4	Q227 R228 A229 A259 Y261 L915	Q227-L231 PolarHBondContact O-N 3.09Å; R228-L231 WeakPolarHBondContact O-CB 3.49Å; R228-L231 PolarHBondContact O-N 3Å; A229-L231 VanDerWaalsContact C-N 3.31Å; A229-L231 PolarHBondContact O-N 3.38Å; L231-A259 WeakPolarHBondContact CD2-O 3.17Å; L231-Y261 HydrophobicContact CB-CD2 3.95Å; L231-Y261 HydrophobicContact CB-CE2 3.92Å; L231-Y261 HydrophobicContact CD1-CE2 4.2Å; L231-Y261 HydrophobicContact CD2-CD2 4.2Å; L231-Y261 HydrophobicContact CD2-CE2 3.97Å; L231-Y261 HydrophobicContact CG-CE2 4.22Å; L231-Y261 WeakPolarHBondContact O-CD2 3.43Å; L231-L915 HydrophobicContact CD1-CD2 4.36Å
232	Q	76.8	Confident	75.8	Confident	42 Å²	42	41.3 Å²	41.3	20%	0.196	20%	0.2	C	C	.	.	S	Bend	trans	-68.5	156.6	177.1	-66.7	-63	-43.7	0	0	111.7	L207 A229 L230 L238 F239	L207-Q232 HydrophobicContact CD1-CG 3.85Å; A229-Q232 WeakPolarHBondContact O-CB 3.3Å; A229-Q232 PolarHBondContact O-N 3.28Å; L230-Q232 VanDerWaalsContact C-N 3.31Å; Q232-L238 HydrophobicContact CG-CD2 4.23Å; Q232-F239 HydrophobicContact CB-CB 4.38Å
233	P	73.5	Confident	77.5	Confident	67 Å²	67	38.4 Å²	38.4	44%	0.435	19%	0.189	S	C	.	.			trans	-50.7	141.6	174.8	-28.5	37	0	0	0	112.5	D235 S236 F239	P233-D235 WeakPolarHBondContact CB-OD1 3.22Å; P233-D235 PolarHBondContact O-N 3.29Å; P233-D235 VanDerWaalsContact O-N 3.13Å; P233-S236 WeakPolarHBondContact O-CB 3.21Å; P233-S236 PolarHBondContact O-N 2.76Å; P233-F239 WeakPolarHBondContact O-CB 3.45Å
234	R	72	Confident	78.8	Confident	119 Å²	119	39.9 Å²	39.9	45%	0.449	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.6	-173.2	-72.3	-171.8	172.5	-166.9	-3.4	114.4	S236 F239 T260 E946	R234-S236 VanDerWaalsContact C-N 3.32Å; R234-F239 HydrophobicContact CB-CD1 4.34Å; R234-F239 HydrophobicContact CB-CE1 4.27Å; R234-F239 HydrophobicContact CG-CD1 4.44Å; R234-F239 HydrophobicContact CG-CE1 4Å; R234-F239 HydrophobicContact CG-CZ 4.09Å; R234-T260 PolarHBondContact NE-OG1 2.88Å; R234-T260 PolarHBondContact NH2-OG1 3.01Å; R234-E946 IonicContact CZ-OE1 3.88Å; R234-E946 IonicContact CZ-OE2 3.81Å; R234-E946 VanDerWaalsContact CZ-OE2 3.29Å; R234-E946 IonicContact NH1-OE1 2.52Å; R234-E946 IonicContact NH1-OE2 3.66Å; R234-E946 IonicContact NH2-OE1 2.77Å; R234-E946 PolarHBondContact NH2-OE1 2.98Å; R234-E946 IonicContact NH2-OE2 3.3Å; R234-E946 PolarHBondContact NH2-OE2 3.16Å
235	D	78.9	Confident	79.5	Confident	126 Å²	126	40.8 Å²	40.8	67%	0.674	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-24.2	175.6	56.1	-38.7	0	0	0	112.9	P233 K240	P233-D235 WeakPolarHBondContact CB-OD1 3.22Å; P233-D235 PolarHBondContact O-N 3.29Å; P233-D235 VanDerWaalsContact O-N 3.13Å; D235-K240 PolarHBondContact O-NZ 3.09Å
236	S	82.9	Confident	79.2	Confident	7 Å²	7	41.1 Å²	41.1	5%	0.049	21%	0.208	C	C	.	.	S	Bend	trans	-55.1	138.3	176.5	-176.3	0	0	0	0	112.6	Q203 P233 R234 L238 F239 K240	Q203-S236 VanDerWaalsContact CD-OG 3.29Å; Q203-S236 PolarHBondContact OE1-OG 3.45Å; P233-S236 WeakPolarHBondContact O-CB 3.21Å; P233-S236 PolarHBondContact O-N 2.76Å; R234-S236 VanDerWaalsContact C-N 3.32Å; S236-L238 VanDerWaalsContact C-N 3.29Å; S236-L238 PolarHBondContact OG-N 3.33Å; S236-F239 PolarHBondContact O-N 2.88Å; S236-K240 PolarHBondContact O-N 2.77Å
237	E	86.7	Confident	79	Confident	86 Å²	86	45.7 Å²	45.7	40%	0.402	23%	0.229	S	C	.	.	H	α-helix	trans	-67.9	-35.6	174.9	-64.5	-169.9	165.4	0	0	110.8	L200 F239 K240 L241	L200-E237 HydrophobicContact CD1-CB 4.32Å; E237-F239 VanDerWaalsContact C-N 3.32Å; E237-F239 PolarHBondContact O-N 3.23Å; E237-K240 PolarHBondContact O-N 2.81Å; E237-L241 PolarHBondContact O-N 3.09Å
238	L	86.6	Confident	79	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-40.2	176.7	-176.8	54.2	0	0	0	112.2	L167 L200 Q203 M204 L207 A229 Q232 S236 A242	L167-L238 HydrophobicContact CD2-CD1 3.75Å; L200-L238 HydrophobicContact CD1-CB 4.08Å; L200-L238 HydrophobicContact CD1-CD1 4.2Å; Q203-L238 HydrophobicContact CB-CB 4.23Å; Q203-L238 HydrophobicContact CB-CD2 4.27Å; M204-L238 HydrophobicContact CE-CD1 3.86Å; M204-L238 HydrophobicContact CG-CD1 3.75Å; M204-L238 HydrophobicContact CG-CD2 4.25Å; L207-L238 HydrophobicContact CB-CD2 4.28Å; L207-L238 HydrophobicContact CD1-CD2 3.7Å; A229-L238 HydrophobicContact CB-CD1 3.85Å; A229-L238 HydrophobicContact CB-CD2 4.31Å; A229-L238 HydrophobicContact CB-CG 3.75Å; Q232-L238 HydrophobicContact CG-CD2 4.23Å; S236-L238 VanDerWaalsContact C-N 3.29Å; S236-L238 PolarHBondContact OG-N 3.33Å; L238-A242 WeakPolarHBondContact O-CB 3.48Å; L238-A242 PolarHBondContact O-N 3.12Å
239	F	83.4	Confident	78.6	Confident	17 Å²	17	54.7 Å²	54.7	8%	0.075	28%	0.279	C	S	.	.	H	α-helix	trans	-61.4	-49.1	174.9	175.6	-94.2	0	0	0	111.3	L230 Q232 P233 R234 S236 E237 L241 A242 L243 T260	L230-F239 HydrophobicContact CD2-CE2 4.26Å; L230-F239 WeakPolarHBondContact O-CD2 3.22Å; L230-F239 VanDerWaalsContact O-CE2 3.29Å; L230-F239 WeakPolarHBondContact O-CE2 3.49Å; Q232-F239 HydrophobicContact CB-CB 4.38Å; P233-F239 WeakPolarHBondContact O-CB 3.45Å; R234-F239 HydrophobicContact CB-CD1 4.34Å; R234-F239 HydrophobicContact CB-CE1 4.27Å; R234-F239 HydrophobicContact CG-CD1 4.44Å; R234-F239 HydrophobicContact CG-CE1 4Å; R234-F239 HydrophobicContact CG-CZ 4.09Å; S236-F239 PolarHBondContact O-N 2.88Å; E237-F239 VanDerWaalsContact C-N 3.32Å; E237-F239 PolarHBondContact O-N 3.23Å; F239-L241 VanDerWaalsContact C-N 3.34Å; F239-L241 PolarHBondContact O-N 3.22Å; F239-A242 PolarHBondContact O-N 3.41Å; F239-L243 HydrophobicContact CE1-CD2 4.25Å; F239-L243 WeakPolarHBondContact O-CB 3.41Å; F239-L243 PolarHBondContact O-N 3.02Å; F239-T260 HydrophobicContact CE2-CG2 3.6Å; F239-T260 HydrophobicContact CZ-CG2 3.86Å
240	K	85.4	Confident	77.2	Confident	122 Å²	122	61.8 Å²	61.8	53%	0.53	32%	0.317	S	S	.	.	H	α-helix	trans	-61.8	-40.8	-179.3	-67.5	168	-175.7	153.7	0	112	D235 S236 E237 L243 G244	D235-K240 PolarHBondContact O-NZ 3.09Å; S236-K240 PolarHBondContact O-N 2.77Å; E237-K240 PolarHBondContact O-N 2.81Å; K240-L243 PolarHBondContact O-N 3.05Å; K240-G244 PolarHBondContact O-N 3.21Å
241	L	86.2	Confident	76.1	Confident	78 Å²	78	65 Å²	65	41%	0.408	33%	0.334	S	S	.	.	H	α-helix	trans	-66.8	-40.7	175.7	-76.1	178.5	0	0	0	112.6	L167 L200 E237 F239 L243 G244 Y245	L167-L241 HydrophobicContact CD1-CB 4Å; L200-L241 HydrophobicContact CD1-CD1 3.59Å; L200-L241 HydrophobicContact CD2-CD1 3.29Å; L200-L241 HydrophobicContact CG-CD1 4.07Å; E237-L241 PolarHBondContact O-N 3.09Å; F239-L241 VanDerWaalsContact C-N 3.34Å; F239-L241 PolarHBondContact O-N 3.22Å; L241-L243 VanDerWaalsContact C-N 3.35Å; L241-G244 PolarHBondContact O-N 3.13Å; L241-Y245 WeakPolarHBondContact O-CB 3.2Å; L241-Y245 PolarHBondContact O-N 3.36Å
242	A	82.7	Confident	74.8	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-64.8	-42.1	176.3	0	0	0	0	0	111.2	L167 I226 A229 L230 L238 F239 Y245 T246	L167-A242 VanDerWaalsContact CD1-CA 3.44Å; L167-A242 HydrophobicContact CD1-CB 3.85Å; I226-A242 HydrophobicContact CG2-CB 4.38Å; A229-A242 HydrophobicContact CB-CB 3.62Å; L230-A242 HydrophobicContact CD2-CB 3.73Å; L230-A242 HydrophobicContact CG-CB 3.95Å; L238-A242 WeakPolarHBondContact O-CB 3.48Å; L238-A242 PolarHBondContact O-N 3.12Å; F239-A242 PolarHBondContact O-N 3.41Å; A242-Y245 PolarHBondContact O-N 2.88Å; A242-T246 VanDerWaalsContact O-CG2 3.3Å; A242-T246 WeakPolarHBondContact O-CG2 3.29Å; A242-T246 PolarHBondContact O-N 2.87Å; A242-T246 PolarHBondContact O-OG1 3.28Å
243	L	79.7	Confident	73.5	Confident	65 Å²	65	66 Å²	66	34%	0.34	35%	0.348	S	S	.	.	H	α-helix	trans	-59	-52.8	175.2	-174.7	63.4	0	0	0	110.7	L230 F239 K240 L241 Y245 T246 E247	L230-L243 HydrophobicContact CD2-CB 4.32Å; F239-L243 HydrophobicContact CE1-CD2 4.25Å; F239-L243 WeakPolarHBondContact O-CB 3.41Å; F239-L243 PolarHBondContact O-N 3.02Å; K240-L243 PolarHBondContact O-N 3.05Å; L241-L243 VanDerWaalsContact C-N 3.35Å; L243-Y245 VanDerWaalsContact C-N 3.32Å; L243-Y245 PolarHBondContact O-N 3.44Å; L243-T246 PolarHBondContact O-N 3.04Å; L243-T246 PolarHBondContact O-OG1 3.24Å; L243-E247 WeakPolarHBondContact O-CG 3.36Å; L243-E247 PolarHBondContact O-N 3.18Å
244	G	80.8	Confident	72.4	Confident	34 Å²	34	63.2 Å²	63.2	35%	0.351	33%	0.331	S	S	.	.	H	α-helix	trans	-59.2	-39.6	178	0	0	0	0	0	113.4	K240 L241 T246 E247 S248	K240-G244 PolarHBondContact O-N 3.21Å; L241-G244 PolarHBondContact O-N 3.13Å; G244-T246 VanDerWaalsContact C-N 3.35Å; G244-T246 PolarHBondContact O-N 2.94Å; G244-E247 PolarHBondContact O-N 3.27Å; G244-S248 WeakPolarHBondContact O-CB 3.36Å; G244-S248 PolarHBondContact O-N 3.48Å
245	Y	79.2	Confident	71.3	Confident	54 Å²	54	59.4 Å²	59.4	21%	0.212	32%	0.316	C	S	.	.	H	α-helix	trans	-61.4	-43.8	174.2	-179.1	-92.1	0	0	0	111.7	I226 L241 A242 L243 S248 K249	I226-Y245 HydrophobicContact CD1-CD1 3.78Å; I226-Y245 HydrophobicContact CD1-CE1 3.32Å; I226-Y245 HydrophobicContact CG1-CD1 4.31Å; I226-Y245 HydrophobicContact CG1-CE1 4.3Å; I226-Y245 HydrophobicContact CG2-CD1 4.26Å; L241-Y245 WeakPolarHBondContact O-CB 3.2Å; L241-Y245 PolarHBondContact O-N 3.36Å; A242-Y245 PolarHBondContact O-N 2.88Å; L243-Y245 VanDerWaalsContact C-N 3.32Å; L243-Y245 PolarHBondContact O-N 3.44Å; Y245-S248 PolarHBondContact O-N 3.15Å; Y245-S248 PolarHBondContact O-OG 3.14Å; Y245-K249 HydrophobicContact CE1-CD 4.06Å; Y245-K249 PolarHBondContact O-N 3.23Å; Y245-K249 WeakPolarHBondContact OH-CE 3.48Å; Y245-K249 PolarHBondContact OH-NZ 2.76Å
246	T	71.8	Confident	70	Confident	8 Å²	8	60 Å²	60	5%	0.049	31%	0.309	C	S	.	.	H	α-helix	trans	-70.4	-34.5	-179.4	58.6	0	0	0	0	113.6	I226 L230 A242 L243 G244 W255	I226-T246 HydrophobicContact CG2-CG2 3.81Å; L230-T246 HydrophobicContact CD1-CG2 4.19Å; A242-T246 VanDerWaalsContact O-CG2 3.3Å; A242-T246 WeakPolarHBondContact O-CG2 3.29Å; A242-T246 PolarHBondContact O-N 2.87Å; A242-T246 PolarHBondContact O-OG1 3.28Å; L243-T246 PolarHBondContact O-N 3.04Å; L243-T246 PolarHBondContact O-OG1 3.24Å; G244-T246 VanDerWaalsContact C-N 3.35Å; G244-T246 PolarHBondContact O-N 2.94Å; T246-W255 HydrophobicContact CG2-CB 3.48Å; T246-W255 VanDerWaalsContact CG2-CB 3.48Å; T246-W255 HydrophobicContact CG2-CD2 4.14Å; T246-W255 HydrophobicContact CG2-CE3 4.2Å; T246-W255 HydrophobicContact CG2-CG 3.85Å
247	E	72.4	Confident	68.5	Low	99 Å²	99	59.9 Å²	59.9	46%	0.463	31%	0.308	S	S	.	.	H	α-helix	trans	-66.7	-40.8	172.7	-69.6	-179.7	158	0	0	111.5	L243 G244 K249 N250	L243-E247 WeakPolarHBondContact O-CG 3.36Å; L243-E247 PolarHBondContact O-N 3.18Å; G244-E247 PolarHBondContact O-N 3.27Å; E247-K249 VanDerWaalsContact C-N 3.31Å; E247-K249 PolarHBondContact O-N 3.07Å; E247-N250 PolarHBondContact O-N 3.4Å
248	S	74.4	Confident	67	Low	83 Å²	83	56.4 Å²	56.4	58%	0.58	29%	0.293	S	S	*	.	H	α-helix	trans	-64	-31.7	-178	75.5	0	0	0	0	114.2	G244 Y245 N250	G244-S248 WeakPolarHBondContact O-CB 3.36Å; G244-S248 PolarHBondContact O-N 3.48Å; Y245-S248 PolarHBondContact O-N 3.15Å; Y245-S248 PolarHBondContact O-OG 3.14Å; S248-N250 PolarHBondContact O-N 2.78Å
249	K	68	Low	65.5	Low	116 Å²	116	56.4 Å²	56.4	50%	0.504	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-3	-177.3	-80.8	-157.4	167.4	-171.2	0	113.9	Y245 E247 D251	Y245-K249 HydrophobicContact CE1-CD 4.06Å; Y245-K249 PolarHBondContact O-N 3.23Å; Y245-K249 WeakPolarHBondContact OH-CE 3.48Å; Y245-K249 PolarHBondContact OH-NZ 2.76Å; E247-K249 VanDerWaalsContact C-N 3.31Å; E247-K249 PolarHBondContact O-N 3.07Å; K249-D251 PolarHBondContact O-N 2.69Å
250	N	51.8	Low	64.4	Low	149 Å²	149	56.2 Å²	56.2	80%	0.797	29%	0.294	S	S	*	.	S	Bend	trans	50.3	9.3	-177.8	-91.5	-12.1	0	0	0	115.7	E247 S248 G252	E247-N250 PolarHBondContact O-N 3.4Å; S248-N250 PolarHBondContact O-N 2.78Å; N250-G252 PolarHBondContact O-N 2.78Å
251	D	52.5	Low	63.4	Low	78 Å²	78	52.4 Å²	52.4	42%	0.417	28%	0.276	S	S	.	.			trans	-72.7	47.8	161.2	-97.6	4.3	0	0	0	108.9	K249 T253 S254	K249-D251 PolarHBondContact O-N 2.69Å; D251-T253 PolarHBondContact O-N 3.1Å; D251-S254 WeakPolarHBondContact O-CA 2.97Å; D251-S254 WeakPolarHBondContact O-CB 3.35Å; D251-S254 PolarHBondContact O-N 3.39Å
252	G	46	Very low	62.3	Low	25 Å²	25	52.4 Å²	52.4	26%	0.258	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-14.1	-164.7	0	0	0	0	0	114.8	N250 R256	N250-G252 PolarHBondContact O-N 2.78Å; G252-R256 WeakPolarHBondContact O-CD 3.37Å; G252-R256 WeakPolarHBondContact O-CG 3.43Å
253	T	48.7	Very low	61.5	Low	53 Å²	53	55 Å²	55	33%	0.325	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-10.7	174.1	55.7	0	0	0	0	112.9	D251 S956	D251-T253 PolarHBondContact O-N 3.1Å; T253-S956 WeakPolarHBondContact CG2-OG 3.37Å
254	S	50.4	Low	60.7	Low	9 Å²	9	55 Å²	55	6%	0.063	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-16.2	-164.9	157.5	0	0	0	0	114.2	D251 R912 R914	D251-S254 WeakPolarHBondContact O-CA 2.97Å; D251-S254 WeakPolarHBondContact O-CB 3.35Å; D251-S254 PolarHBondContact O-N 3.39Å; S254-R912 PolarHBondContact OG-NH1 3.13Å; S254-R914 VanDerWaalsContact CB-NH2 3.32Å; S254-R914 PolarHBondContact O-NE 2.73Å; S254-R914 PolarHBondContact O-NH1 3.3Å; S254-R914 PolarHBondContact O-NH2 3Å; S254-R914 PolarHBondContact OG-NH2 3.33Å
255	W	49.3	Very low	59.9	Low	38 Å²	38	54.7 Å²	54.7	14%	0.144	28%	0.283	C	S	.	.	S	Bend	trans	-125.6	-15.2	179.7	-64.5	91.2	0	0	0	114.3	N224 I226 Q227 T246 T257	N224-W255 HydrophobicContact CB-CH2 3.76Å; N224-W255 HydrophobicContact CB-CZ3 3.76Å; N224-W255 VanDerWaalsContact CG-CH2 3.47Å; N224-W255 WeakPolarHBondContact ND2-CH2 3.39Å; I226-W255 HydrophobicContact CB-CZ3 4.14Å; I226-W255 HydrophobicContact CG2-CE3 4.3Å; I226-W255 HydrophobicContact CG2-CZ3 4.07Å; Q227-W255 HydrophobicContact CG-CE3 3.94Å; Q227-W255 HydrophobicContact CG-CZ3 3.65Å; T246-W255 HydrophobicContact CG2-CB 3.48Å; T246-W255 VanDerWaalsContact CG2-CB 3.48Å; T246-W255 HydrophobicContact CG2-CD2 4.14Å; T246-W255 HydrophobicContact CG2-CE3 4.2Å; T246-W255 HydrophobicContact CG2-CG 3.85Å; W255-T257 PolarHBondContact O-N 3.14Å
256	R	50.6	Low	59	Low	138 Å²	138	53.3 Å²	53.3	52%	0.521	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	19.8	170.7	-67	-168.8	175.7	172.4	-3.8	113.7	G252 P948	G252-R256 WeakPolarHBondContact O-CD 3.37Å; G252-R256 WeakPolarHBondContact O-CG 3.43Å; R256-P948 WeakPolarHBondContact O-CB 3.43Å
257	T	52.2	Low	58.2	Low	5 Å²	5	53.9 Å²	53.9	3%	0.031	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	9.4	-164.9	60.1	0	0	0	0	113.7	W255 W905 R914 P948	W255-T257 PolarHBondContact O-N 3.14Å; T257-W905 HydrophobicContact CG2-CH2 3.62Å; T257-W905 HydrophobicContact CG2-CZ2 3.7Å; T257-W905 PolarHBondContact O-NE1 3.25Å; T257-W905 WeakPolarHBondContact OG1-CZ2 3.39Å; T257-R914 PolarHBondContact OG1-NH1 3.05Å; T257-P948 VanDerWaalsContact CA-CB 3.42Å; T257-P948 VanDerWaalsContact CA-CG 3.41Å; T257-P948 VanDerWaalsContact O-CG 3.28Å; T257-P948 WeakPolarHBondContact O-CG 3.24Å
258	C	54.7	Low	57.9	Low	13 Å²	13	51.2 Å²	51.2	9%	0.088	27%	0.274	C	S	.	.	S	Bend	trans	-91.5	138.3	171.6	-68.4	0	0	0	0	109	L230	L230-C258 HydrophobicContact CB-CB 4.11Å; L230-C258 HydrophobicContact CD1-CB 4.17Å
259	A	56.1	Low	57.6	Low	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-75.2	129.8	-179.6	0	0	0	0	0	109.2	L231 F916 M945 E946	L231-A259 WeakPolarHBondContact CD2-O 3.17Å; A259-F916 HydrophobicContact CB-CD1 4.43Å; A259-F916 HydrophobicContact CB-CD2 4.04Å; A259-F916 HydrophobicContact CB-CE1 3.88Å; A259-F916 HydrophobicContact CB-CE2 3.44Å; A259-F916 VanDerWaalsContact CB-CE2 3.44Å; A259-F916 HydrophobicContact CB-CG 4.49Å; A259-F916 HydrophobicContact CB-CZ 3.33Å; A259-M945 HydrophobicContact CB-CB 3.61Å; A259-M945 HydrophobicContact CB-CG 3.9Å; A259-M945 HydrophobicContact CB-SD 3.82Å; A259-E946 VanDerWaalsContact CA-O 3.24Å; A259-E946 WeakPolarHBondContact CA-O 3.28Å; A259-E946 WeakPolarHBondContact CB-O 3.22Å
260	T	59.7	Low	57.7	Low	14 Å²	14	46.4 Å²	46.4	9%	0.086	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	123.3	173.8	57.3	0	0	0	0	109	R234 F239 L262 M945 E946	R234-T260 PolarHBondContact NE-OG1 2.88Å; R234-T260 PolarHBondContact NH2-OG1 3.01Å; F239-T260 HydrophobicContact CE2-CG2 3.6Å; F239-T260 HydrophobicContact CZ-CG2 3.86Å; T260-L262 PolarHBondContact O-N 2.93Å; T260-L262 VanDerWaalsContact O-N 3.15Å; T260-M945 CarbonylContact O-C 3.57Å; T260-M945 WeakPolarHBondContact O-CA 3.41Å; T260-E946 PolarHBondContact N-O 3.36Å; T260-E946 PolarHBondContact O-N 3.01Å; T260-E946 WeakPolarHBondContact OG1-CB 3.49Å
261	Y	64.7	Low	59.1	Low	42 Å²	42	40 Å²	40	17%	0.165	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	118.3	173.7	-78.9	-92.9	0	0	0	109.4	L231 E919 H943 M945	L231-Y261 HydrophobicContact CB-CD2 3.95Å; L231-Y261 HydrophobicContact CB-CE2 3.92Å; L231-Y261 HydrophobicContact CD1-CE2 4.2Å; L231-Y261 HydrophobicContact CD2-CD2 4.2Å; L231-Y261 HydrophobicContact CD2-CE2 3.97Å; L231-Y261 HydrophobicContact CG-CE2 4.22Å; L231-Y261 WeakPolarHBondContact O-CD2 3.43Å; Y261-E919 VanDerWaalsContact CE1-OE2 3.28Å; Y261-E919 WeakPolarHBondContact CE1-OE2 3.45Å; Y261-E919 PolarHBondContact OH-OE2 3.42Å; Y261-H943 HydrophobicContact CD1-CB 4.12Å; Y261-H943 HydrophobicContact CE1-CB 3.68Å; Y261-H943 AromaticContact CE1-CG 3.98Å; Y261-H943 AromaticContact CE1-ND1 3.76Å; Y261-M945 HydrophobicContact CD1-CG 4.03Å; Y261-M945 HydrophobicContact CD2-CG 4.46Å; Y261-M945 HydrophobicContact CE1-CE 4.05Å; Y261-M945 HydrophobicContact CE1-CG 4.27Å; Y261-M945 HydrophobicContact CE1-SD 4.16Å; Y261-M945 HydrophobicContact CE2-SD 4.34Å; Y261-M945 HydrophobicContact CG-CG 4.15Å
262	L	62.1	Low	60.5	Low	77 Å²	77	42.3 Å²	42.3	40%	0.403	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-40.2	172.8	-67.2	175.9	0	0	0	110.4	T260 I932 V944 E946	T260-L262 PolarHBondContact O-N 2.93Å; T260-L262 VanDerWaalsContact O-N 3.15Å; L262-I932 HydrophobicContact CD1-CG1 4.44Å; L262-V944 HydrophobicContact CB-CB 4.31Å; L262-V944 HydrophobicContact CB-CG1 3.96Å; L262-V944 HydrophobicContact CD1-CG1 3.99Å; L262-V944 PolarHBondContact N-O 3.13Å; L262-E946 HydrophobicContact CD1-CB 4.14Å; L262-E946 HydrophobicContact CD2-CB 4.5Å; L262-E946 HydrophobicContact CG-CB 4.26Å
263	R	65.8	Low	62.3	Low	56 Å²	56	42.8 Å²	42.8	21%	0.211	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	141.6	-177.3	-171	173.7	177.1	-172	-4.2	110.3	Q650 Y942 H943 V944	R263-Q650 VanDerWaalsContact CZ-OE1 3.32Å; R263-Y942 PolarHBondContact NH2-OH 3.01Å; R263-H943 CarbonylContact O-C 3.48Å; R263-H943 WeakPolarHBondContact O-CA 3.28Å; R263-V944 HydrophobicContact CB-CB 4.02Å; R263-V944 HydrophobicContact CB-CG2 4.11Å; R263-V944 PolarHBondContact N-O 3.32Å; R263-V944 PolarHBondContact O-N 2.88Å
264	S	64.5	Low	64	Low	65 Å²	65	40.8 Å²	40.8	46%	0.455	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.5	169.3	171.6	0	0	0	0	108.3	H943	S264-H943 VanDerWaalsContact CB-ND1 3.34Å; S264-H943 WeakPolarHBondContact CB-ND1 2.99Å; S264-H943 PolarHBondContact OG-CE1 2.77Å; S264-H943 PolarHBondContact OG-ND1 3.46Å
265	C	63.3	Low	65.6	Low	27 Å²	27	40.4 Å²	40.4	18%	0.182	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	91.7	170.6	-173.5	0	0	0	0	107.6	N941 Y942	C265-N941 VanDerWaalsContact O-CA 3.29Å; C265-N941 WeakPolarHBondContact O-CA 3.43Å; C265-N941 VanDerWaalsContact O-CB 3.23Å; C265-N941 WeakPolarHBondContact O-CB 3.38Å; C265-Y942 HydrophobicContact CB-CD1 4.13Å; C265-Y942 HydrophobicContact CB-CE1 3.65Å; C265-Y942 HydrophobicContact CB-CE2 4.21Å; C265-Y942 PolarHBondContact N-O 3.43Å; C265-Y942 PolarHBondContact O-N 3.13Å
266	A	60	Low	67.2	Low	25 Å²	25	40.2 Å²	40.2	21%	0.207	20%	0.2	C	C	.	.			trans	-113.6	126.5	176.3	0	0	0	0	0	110.4	Y268 N941	A266-Y268 VanDerWaalsContact C-N 3.27Å; A266-Y268 HydrophobicContact CB-CD1 4.14Å; A266-Y268 HydrophobicContact CB-CE1 3.8Å; A266-Y268 PolarHBondContact O-N 2.94Å; A266-N941 HydrophobicContact CB-CB 4.44Å
267	A	55.5	Low	68.5	Low	19 Å²	19	33.7 Å²	33.7	16%	0.157	18%	0.176	C	C	.	.			trans	-85.1	8.3	178.9	0	0	0	0	0	113.9	A621 P623 N941	A267-A621 WeakPolarHBondContact CB-O 3.24Å; A267-P623 HydrophobicContact CB-CB 4.49Å; A267-N941 PolarHBondContact N-OD1 3.13Å
268	Y	65.4	Low	69.3	Low	43 Å²	43	38.6 Å²	38.6	17%	0.169	20%	0.197	C	C	.	.	S	Bend	trans	-120.1	154.4	-175.4	59.1	-95.1	0	0	0	112.4	A266 N941	A266-Y268 VanDerWaalsContact C-N 3.27Å; A266-Y268 HydrophobicContact CB-CD1 4.14Å; A266-Y268 HydrophobicContact CB-CE1 3.8Å; A266-Y268 PolarHBondContact O-N 2.94Å; Y268-N941 WeakPolarHBondContact CD1-ND2 3.33Å; Y268-N941 HydrophobicContact CE1-CB 4.32Å; Y268-N941 WeakPolarHBondContact CE1-ND2 3.07Å
269	K	69.3	Low	70.3	Confident	58 Å²	58	39.9 Å²	39.9	25%	0.252	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-81.2	118.8	177.6	-170.6	166.3	-175.9	162.3	0	109.3	L580 F611 E612 N613	K269-L580 HydrophobicContact CB-CD1 4.18Å; K269-L580 HydrophobicContact CD-CD1 4.1Å; K269-L580 PolarHBondContact N-O 3.42Å; K269-F611 WeakPolarHBondContact O-CE1 3.26Å; K269-E612 WeakPolarHBondContact CE-O 3.47Å; K269-E612 PolarHBondContact NZ-O 2.78Å; K269-N613 PolarHBondContact NZ-O 3.29Å
270	S	70.2	Confident	71.5	Confident	41 Å²	41	40 Å²	40	29%	0.287	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-69.8	142.8	175.4	55.6	0	0	0	0	111.1	R210 R272	R210-S270 PolarHBondContact NH1-OG 2.9Å; R210-S270 PolarHBondContact NH2-OG 3.11Å; S270-R272 PolarHBondContact O-N 2.78Å
271	P	79.4	Confident	72.6	Confident	13 Å²	13	41.9 Å²	41.9	8%	0.084	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-61.5	137.9	171.8	28.9	-35.8	0	0	0	109.6	L609 F611	P271-L609 HydrophobicContact CB-CB 4.05Å; P271-L609 HydrophobicContact CB-CD2 4.2Å; P271-L609 HydrophobicContact CB-CG 4.33Å; P271-L609 HydrophobicContact CG-CD2 3.99Å; P271-L609 HydrophobicContact CG-CG 4.41Å; P271-F611 HydrophobicContact CB-CD1 4.2Å; P271-F611 HydrophobicContact CB-CE1 3.79Å; P271-F611 HydrophobicContact CB-CZ 3.95Å; P271-F611 HydrophobicContact CG-CE1 4.39Å
272	R	82.5	Confident	73.5	Confident	128 Å²	128	40.3 Å²	40.3	48%	0.483	21%	0.21	S	C	.	.	S	Bend	trans	-73.4	-37.9	176.3	-171.7	-179.1	-177.5	172.1	5.7	111	S270 I610 E612	S270-R272 PolarHBondContact O-N 2.78Å; R272-I610 PolarHBondContact N-O 3.18Å; R272-E612 HydrophobicContact CB-CG 4.49Å; R272-E612 WeakPolarHBondContact CD-OE1 3.08Å; R272-E612 WeakPolarHBondContact CD-OE2 3.34Å; R272-E612 IonicContact CZ-OE1 2.75Å; R272-E612 IonicContact CZ-OE2 3.29Å; R272-E612 IonicContact NE-OE1 3.96Å; R272-E612 IonicContact NE-OE2 2.92Å; R272-E612 IonicContact NH1-OE1 3.87Å; R272-E612 PolarHBondContact NH1-OE1 3.08Å; R272-E612 IonicContact NH1-OE2 2.83Å; R272-E612 PolarHBondContact NH1-OE2 3.18Å
273	Y	83.6	Confident	74.7	Confident	34 Å²	34	36.8 Å²	36.8	13%	0.133	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	137.3	-179.6	-86.9	-99.5	0	0	0	110.8	Q209 S307 L609 I610	Q209-Y273 HydrophobicContact CB-CD1 3.84Å; Q209-Y273 HydrophobicContact CB-CD2 4.31Å; Q209-Y273 HydrophobicContact CB-CE1 3.83Å; Q209-Y273 HydrophobicContact CB-CE2 4.28Å; Q209-Y273 HydrophobicContact CB-CG 4.13Å; Q209-Y273 VanDerWaalsContact CD-OH 3.25Å; Q209-Y273 HydrophobicContact CG-CD1 3.89Å; Q209-Y273 HydrophobicContact CG-CE1 3.33Å; Q209-Y273 HydrophobicContact CG-CE2 4.04Å; Q209-Y273 HydrophobicContact CG-CG 4.48Å; Q209-Y273 VanDerWaalsContact CG-CZ 3.45Å; Q209-Y273 PolarHBondContact NE2-OH 3.13Å; Q209-Y273 WeakPolarHBondContact O-CA 3.21Å; Y273-S307 WeakPolarHBondContact CE1-O 3.44Å; Y273-S307 PolarHBondContact OH-O 2.75Å; Y273-L609 WeakPolarHBondContact O-CA 3.17Å; Y273-I610 PolarHBondContact N-O 2.92Å; Y273-I610 PolarHBondContact O-N 2.81Å
274	M	85.3	Confident	75.7	Confident	11 Å²	11	35.3 Å²	35.3	5%	0.054	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	119.3	171.8	-167.7	179.1	38.3	0	0	111.6	Q209 R210 C212 Y213 H214 V608 L609	Q209-M274 PolarHBondContact O-N 3.48Å; R210-M274 VanDerWaalsContact O-CE 3.3Å; R210-M274 WeakPolarHBondContact O-CE 3.32Å; C212-M274 VanDerWaalsContact CB-O 3.23Å; C212-M274 WeakPolarHBondContact CB-O 3Å; Y213-M274 HydrophobicContact CD1-CE 4.49Å; Y213-M274 HydrophobicContact CD1-SD 4.15Å; Y213-M274 HydrophobicContact CG-CG 4.25Å; Y213-M274 HydrophobicContact CG-SD 4.27Å; Y213-M274 PolarHBondContact N-O 2.99Å; H214-M274 WeakPolarHBondContact CD2-CE 3.43Å; H214-M274 VanDerWaalsContact NE2-CE 3.34Å; H214-M274 WeakPolarHBondContact NE2-CE 3.49Å; M274-V608 VanDerWaalsContact CA-O 3.25Å; M274-V608 WeakPolarHBondContact CA-O 2.87Å; M274-L609 HydrophobicContact CG-CD1 4.42Å; M274-L609 HydrophobicContact CG-CG 4.13Å; M274-L609 HydrophobicContact SD-CD1 4.45Å; M274-L609 HydrophobicContact SD-CG 4.23Å
275	F	84.4	Confident	76.8	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.009	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	166.8	178.6	61.8	-92.5	0	0	0	112.2	L292 C304 G309 V608 I610	F275-L292 HydrophobicContact CE2-CD2 4.29Å; F275-L292 HydrophobicContact CZ-CD2 4.29Å; F275-C304 VanDerWaalsContact CE2-SG 3.57Å; F275-G309 VanDerWaalsContact CG-CA 3.48Å; F275-V608 HydrophobicContact CD1-CB 4.38Å; F275-V608 HydrophobicContact CD2-CB 4.1Å; F275-V608 HydrophobicContact CD2-CG2 4.34Å; F275-V608 HydrophobicContact CE1-CB 4.01Å; F275-V608 HydrophobicContact CE1-CG1 3.77Å; F275-V608 HydrophobicContact CE2-CB 3.7Å; F275-V608 HydrophobicContact CE2-CG1 4.04Å; F275-V608 HydrophobicContact CE2-CG2 3.78Å; F275-V608 HydrophobicContact CG-CB 4.42Å; F275-V608 HydrophobicContact CZ-CB 3.66Å; F275-V608 HydrophobicContact CZ-CG1 3.48Å; F275-V608 VanDerWaalsContact CZ-CG1 3.48Å; F275-V608 HydrophobicContact CZ-CG2 4.1Å; F275-V608 PolarHBondContact N-O 2.89Å; F275-V608 VanDerWaalsContact N-O 3.09Å; F275-V608 PolarHBondContact O-N 3.18Å; F275-I610 HydrophobicContact CE1-CD1 4Å
276	S	81.4	Confident	77.8	Confident	33 Å²	33	32.8 Å²	32.8	23%	0.231	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.4	-177.4	-171.7	0	0	0	0	112.3	K278	S276-K278 PolarHBondContact OG-N 3.05Å; S276-K278 VanDerWaalsContact OG-N 3.13Å
277	C	77.6	Confident	78.8	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.007	16%	0.162	C	C	.	.			trans	-95.8	5	166.5	-78.6	0	0	0	0	112.9	S279 A280 Y294 R302 G606 V608	C277-S279 PolarHBondContact O-N 3.4Å; C277-A280 HydrophobicContact CB-CB 4.46Å; C277-Y294 HydrophobicContact CB-CD2 4.26Å; C277-Y294 HydrophobicContact CB-CE1 4.11Å; C277-Y294 HydrophobicContact CB-CE2 3.69Å; C277-Y294 WeakPolarHBondContact O-CE2 3.41Å; C277-Y294 PolarHBondContact O-OH 2.69Å; C277-Y294 VanDerWaalsContact SG-CE1 3.57Å; C277-R302 PolarHBondContact O-NH1 2.64Å; C277-G606 PolarHBondContact N-O 3.07Å; C277-V608 HydrophobicContact CB-CG2 4.33Å; C277-V608 VanDerWaalsContact SG-CG2 3.55Å
278	K	69.7	Low	79.8	Confident	109 Å²	109	35.3 Å²	35.3	47%	0.474	17%	0.174	S	C	.	.	S	Bend	trans	60.5	-46.2	-170.5	-64.9	-177.9	171.8	-176.2	0	115.1	S276 C375	S276-K278 PolarHBondContact OG-N 3.05Å; S276-K278 VanDerWaalsContact OG-N 3.13Å; K278-C375 PolarHBondContact NZ-O 3.36Å
279	S	75.7	Confident	80.1	Confident	39 Å²	39	34.1 Å²	34.1	27%	0.273	17%	0.17	S	C	.	.			trans	-169.4	125.3	-179.4	-176.7	0	0	0	0	108.5	C277 G296 Y297	C277-S279 PolarHBondContact O-N 3.4Å; S279-G296 WeakPolarHBondContact O-CA 3.43Å; S279-Y297 WeakPolarHBondContact OG-CD2 3.16Å
280	A	81.5	Confident	80.6	Confident	3 Å²	3	36 Å²	36	3%	0.025	18%	0.178	C	C	.	.			trans	-138.5	128.7	178.4	0	0	0	0	0	109	C277 Y294 L295 I588 L602	C277-A280 HydrophobicContact CB-CB 4.46Å; A280-Y294 HydrophobicContact CB-CD2 3.61Å; A280-Y294 HydrophobicContact CB-CE2 4.29Å; A280-Y294 HydrophobicContact CB-CG 4.22Å; A280-L295 CarbonylContact C-O 3.52Å; A280-L295 WeakPolarHBondContact CA-O 3.48Å; A280-I588 VanDerWaalsContact O-CD1 3.28Å; A280-I588 WeakPolarHBondContact O-CD1 3.28Å; A280-L602 HydrophobicContact CB-CD1 3.89Å; A280-L602 HydrophobicContact CB-CD2 3.69Å; A280-L602 HydrophobicContact CB-CG 4.37Å
281	K	82.5	Confident	81.2	Confident	53 Å²	53	34.3 Å²	34.3	23%	0.23	17%	0.166	C	C	.	.	S	Bend	trans	-92.5	-41.6	178.5	177.9	-179.9	174.4	-179.3	0	111.5	L295 Y297 P321	K281-L295 PolarHBondContact N-O 3.2Å; K281-Y297 HydrophobicContact CB-CD1 4.48Å; K281-Y297 HydrophobicContact CB-CD2 3.94Å; K281-Y297 HydrophobicContact CB-CE1 4.29Å; K281-Y297 HydrophobicContact CB-CE2 3.77Å; K281-Y297 HydrophobicContact CB-CG 4.33Å; K281-Y297 HydrophobicContact CD-CE1 4.4Å; K281-Y297 HydrophobicContact CG-CE1 4.21Å; K281-Y297 HydrophobicContact CG-CE2 4.41Å; K281-P321 PolarHBondContact NZ-O 2.81Å
282	A	83.2	Confident	81.5	Confident	9 Å²	9	33.7 Å²	33.7	7%	0.074	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	150.8	177.5	0	0	0	0	0	109.1	Y294 L295 I324 E589	A282-Y294 CarbonylContact O-C 3.6Å; A282-Y294 VanDerWaalsContact O-CA 3.31Å; A282-Y294 WeakPolarHBondContact O-CA 3.46Å; A282-L295 HydrophobicContact CB-CD1 4.44Å; A282-L295 PolarHBondContact O-N 2.88Å; A282-I324 HydrophobicContact CB-CG2 3.79Å; A282-E589 VanDerWaalsContact CA-OE1 3.3Å; A282-E589 WeakPolarHBondContact CA-OE1 3.09Å
283	S	88.9	Confident	81.7	Confident	4 Å²	4	27.7 Å²	27.7	3%	0.028	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	160.6	-173.7	65.8	0	0	0	0	113.1	L293 E589 H591	S283-L293 CarbonylContact C-O 3.59Å; S283-L293 WeakPolarHBondContact CA-O 3.43Å; S283-E589 WeakPolarHBondContact CA-OE2 3.45Å; S283-E589 WeakPolarHBondContact CB-OE2 3.38Å; S283-E589 PolarHBondContact N-OE2 2.9Å; S283-E589 PolarHBondContact OG-OE2 2.89Å; S283-H591 PolarHBondContact O-CE1 2.97Å; S283-H591 PolarHBondContact O-NE2 2.92Å; S283-H591 PolarHBondContact OG-NE2 3.21Å
284	I	86.1	Confident	81.9	Confident	25 Å²	25	26.2 Å²	26.2	13%	0.128	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	127.2	174.4	-57.3	-176.4	0	0	0	107.9	L286 L293 I324 C325 F326 L333	I284-L286 HydrophobicContact CG2-CD2 4.31Å; I284-L293 HydrophobicContact CB-CB 4.43Å; I284-L293 PolarHBondContact N-O 3.42Å; I284-L293 PolarHBondContact O-N 2.99Å; I284-I324 HydrophobicContact CD1-CB 4.36Å; I284-I324 HydrophobicContact CD1-CD1 4.41Å; I284-I324 HydrophobicContact CD1-CG1 3.82Å; I284-I324 HydrophobicContact CD1-CG2 4.03Å; I284-I324 HydrophobicContact CG1-CG1 4.42Å; I284-I324 HydrophobicContact CG1-CG2 3.92Å; I284-C325 VanDerWaalsContact CD1-C 3.43Å; I284-F326 HydrophobicContact CD1-CB 3.67Å; I284-F326 VanDerWaalsContact CD1-N 3.31Å; I284-F326 HydrophobicContact CG2-CB 3.85Å; I284-L333 HydrophobicContact CD1-CD1 3.88Å
285	W	88.1	Confident	81.9	Confident	23 Å²	23	25.7 Å²	25.7	9%	0.087	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.5	178.7	-173.1	32	0	0	0	112	S287 L292 T306 H591 S593 D598 L600 I610	W285-S287 VanDerWaalsContact CE2-CB 3.5Å; W285-L292 HydrophobicContact CB-CD1 4.2Å; W285-T306 VanDerWaalsContact NE1-CG2 3.31Å; W285-H591 HydrophobicContact CB-CB 3.88Å; W285-H591 HydrophobicContact CE3-CB 4.09Å; W285-H591 VanDerWaalsContact CE3-O 3.28Å; W285-H591 WeakPolarHBondContact CZ3-O 3.36Å; W285-S593 VanDerWaalsContact CZ3-N 3.26Å; W285-D598 HydrophobicContact CH2-CB 3.79Å; W285-D598 HydrophobicContact CZ3-CB 4.45Å; W285-L600 HydrophobicContact CB-CD1 4.19Å; W285-L600 HydrophobicContact CD2-CB 3.73Å; W285-L600 HydrophobicContact CD2-CD1 3.75Å; W285-L600 HydrophobicContact CD2-CG 4.37Å; W285-L600 HydrophobicContact CE3-CB 3.44Å; W285-L600 VanDerWaalsContact CE3-CB 3.44Å; W285-L600 HydrophobicContact CE3-CD1 4.36Å; W285-L600 HydrophobicContact CG-CB 4.32Å; W285-L600 HydrophobicContact CG-CD1 3.65Å; W285-L600 HydrophobicContact CH2-CB 4.2Å; W285-L600 HydrophobicContact CZ2-CB 4.49Å; W285-L600 HydrophobicContact CZ3-CB 3.68Å; W285-I610 HydrophobicContact CH2-CG2 4.45Å
286	L	84.1	Confident	81.8	Confident	15 Å²	15	25.6 Å²	25.6	8%	0.079	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	81.6	170.2	-55.8	179.6	0	0	0	108.1	I284 D288 Q289 K290 I291 L293 F326	I284-L286 HydrophobicContact CG2-CD2 4.31Å; L286-D288 PolarHBondContact O-N 3.39Å; L286-Q289 HydrophobicContact CB-CB 4.17Å; L286-Q289 CarbonylContact O-C 3.57Å; L286-Q289 PolarHBondContact O-N 3.49Å; L286-K290 PolarHBondContact O-N 3.32Å; L286-I291 HydrophobicContact CB-CB 4.4Å; L286-I291 PolarHBondContact N-O 3.39Å; L286-I291 PolarHBondContact O-N 3.04Å; L286-L293 HydrophobicContact CD1-CD1 3.65Å; L286-L293 HydrophobicContact CG-CD1 4.22Å; L286-F326 HydrophobicContact CD1-CD1 4.38Å; L286-F326 HydrophobicContact CD1-CE1 3.78Å; L286-F326 HydrophobicContact CD1-CE2 4.33Å; L286-F326 HydrophobicContact CD1-CZ 3.74Å; L286-F326 HydrophobicContact CD2-CD1 3.46Å; L286-F326 VanDerWaalsContact CD2-CD1 3.46Å; L286-F326 HydrophobicContact CD2-CE1 3.5Å; L286-F326 VanDerWaalsContact CD2-CE1 3.5Å; L286-F326 HydrophobicContact CD2-CG 4.2Å; L286-F326 HydrophobicContact CD2-CZ 4.3Å; L286-F326 HydrophobicContact CG-CE1 4.3Å
287	S	79.8	Confident	81.8	Confident	19 Å²	19	29.7 Å²	29.7	13%	0.133	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-35.9	-170.8	64.8	0	0	0	0	113.9	W285 K290 S593 T594	W285-S287 VanDerWaalsContact CE2-CB 3.5Å; S287-K290 PolarHBondContact O-N 3.47Å; S287-S593 WeakPolarHBondContact OG-CA 3.41Å; S287-S593 WeakPolarHBondContact OG-CB 3.23Å; S287-T594 PolarHBondContact OG-N 3.09Å; S287-T594 PolarHBondContact OG-OG1 3.5Å; S287-T594 VanDerWaalsContact OG-OG1 3.14Å
288	D	77	Confident	81.8	Confident	78 Å²	78	32.8 Å²	32.8	42%	0.417	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-40	175.9	63.7	-37.1	0	0	0	112	L286 K290	L286-D288 PolarHBondContact O-N 3.39Å; D288-K290 VanDerWaalsContact C-N 3.32Å
289	Q	71.9	Confident	82.4	Confident	19 Å²	19	29.1 Å²	29.1	9%	0.089	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-7.5	176.7	-61.7	178.1	3.3	0	0	112.6	L286 I291 V348	L286-Q289 HydrophobicContact CB-CB 4.17Å; L286-Q289 CarbonylContact O-C 3.57Å; L286-Q289 PolarHBondContact O-N 3.49Å; Q289-I291 VanDerWaalsContact C-N 3.3Å; Q289-I291 HydrophobicContact CB-CD1 4.11Å; Q289-I291 HydrophobicContact CB-CG1 4.29Å; Q289-I291 PolarHBondContact O-N 3.02Å; Q289-V348 HydrophobicContact CB-CG1 4.27Å; Q289-V348 HydrophobicContact CG-CG1 4.2Å; Q289-V348 VanDerWaalsContact OE1-CB 3.29Å; Q289-V348 VanDerWaalsContact OE1-CG2 3.28Å
290	K	79	Confident	82.5	Confident	97 Å²	97	27.5 Å²	27.5	42%	0.422	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	41.3	-174.7	-56.2	-178.5	178.8	-175.9	0	112.8	L286 S287 D288 C305 T306	L286-K290 PolarHBondContact O-N 3.32Å; S287-K290 PolarHBondContact O-N 3.47Å; D288-K290 VanDerWaalsContact C-N 3.32Å; K290-C305 CarbonylContact O-C 3.58Å; K290-C305 WeakPolarHBondContact O-CA 3.46Å; K290-T306 VanDerWaalsContact CA-OG1 3.26Å; K290-T306 WeakPolarHBondContact CA-OG1 3.29Å; K290-T306 PolarHBondContact O-N 3.34Å; K290-T306 PolarHBondContact O-OG1 3.08Å
291	I	82.7	Confident	82.5	Confident	6 Å²	6	27.4 Å²	27.4	3%	0.031	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137.9	-177.3	-67.3	172.4	0	0	0	110.5	L286 Q289 L293 V303 C304 V348 L350	L286-I291 HydrophobicContact CB-CB 4.4Å; L286-I291 PolarHBondContact N-O 3.39Å; L286-I291 PolarHBondContact O-N 3.04Å; Q289-I291 VanDerWaalsContact C-N 3.3Å; Q289-I291 HydrophobicContact CB-CD1 4.11Å; Q289-I291 HydrophobicContact CB-CG1 4.29Å; Q289-I291 PolarHBondContact O-N 3.02Å; I291-L293 HydrophobicContact CG2-CG 4.3Å; I291-V303 HydrophobicContact CG2-CG1 3.29Å; I291-C304 CarbonylContact C-O 3.49Å; I291-C304 WeakPolarHBondContact CA-O 3.47Å; I291-V348 HydrophobicContact CD1-CG1 3.56Å; I291-V348 HydrophobicContact CD1-CG2 4.17Å; I291-L350 HydrophobicContact CD1-CD1 3.69Å; I291-L350 HydrophobicContact CG1-CD1 4.3Å
292	L	86.4	Confident	82.3	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.3	166.1	-177.3	70.5	0	0	0	109.3	F275 W285 Y294 V303 C304 T306 L600 V608	F275-L292 HydrophobicContact CE2-CD2 4.29Å; F275-L292 HydrophobicContact CZ-CD2 4.29Å; W285-L292 HydrophobicContact CB-CD1 4.2Å; L292-Y294 HydrophobicContact CD2-CD1 4.46Å; L292-Y294 HydrophobicContact CG-CD1 4.46Å; L292-V303 WeakPolarHBondContact O-CA 3.49Å; L292-C304 PolarHBondContact N-O 2.66Å; L292-C304 PolarHBondContact O-N 2.67Å; L292-T306 HydrophobicContact CB-CG2 3.72Å; L292-L600 HydrophobicContact CD1-CD1 3.99Å; L292-L600 HydrophobicContact CD1-CD2 4.26Å; L292-V608 HydrophobicContact CD2-CG1 4.19Å; L292-V608 HydrophobicContact CD2-CG2 3.66Å
293	L	86.2	Confident	82.2	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	132	169.5	-75.2	149.1	0	0	0	108.2	S283 I284 L286 I291 V303 F326 L333 I346	S283-L293 CarbonylContact C-O 3.59Å; S283-L293 WeakPolarHBondContact CA-O 3.43Å; I284-L293 HydrophobicContact CB-CB 4.43Å; I284-L293 PolarHBondContact N-O 3.42Å; I284-L293 PolarHBondContact O-N 2.99Å; L286-L293 HydrophobicContact CD1-CD1 3.65Å; L286-L293 HydrophobicContact CG-CD1 4.22Å; I291-L293 HydrophobicContact CG2-CG 4.3Å; L293-V303 HydrophobicContact CD2-CB 4.48Å; L293-V303 HydrophobicContact CD2-CG1 4.4Å; L293-V303 HydrophobicContact CD2-CG2 3.49Å; L293-V303 VanDerWaalsContact CD2-CG2 3.49Å; L293-V303 HydrophobicContact CG-CG2 4.47Å; L293-F326 HydrophobicContact CD1-CD2 4.39Å; L293-F326 HydrophobicContact CD1-CE2 4.35Å; L293-L333 HydrophobicContact CD1-CD1 4.47Å; L293-I346 HydrophobicContact CD1-CD1 3.49Å; L293-I346 VanDerWaalsContact CD1-CD1 3.49Å; L293-I346 HydrophobicContact CD2-CD1 3.58Å; L293-I346 HydrophobicContact CG-CD1 4.19Å
294	Y	87.4	Confident	81.8	Confident	3 Å²	3	25.1 Å²	25.1	1%	0.012	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	150.2	178	70	-82.7	0	0	0	113.3	C277 A280 A282 L292 R302 C304	C277-Y294 HydrophobicContact CB-CD2 4.26Å; C277-Y294 HydrophobicContact CB-CE1 4.11Å; C277-Y294 HydrophobicContact CB-CE2 3.69Å; C277-Y294 WeakPolarHBondContact O-CE2 3.41Å; C277-Y294 PolarHBondContact O-OH 2.69Å; C277-Y294 VanDerWaalsContact SG-CE1 3.57Å; A280-Y294 HydrophobicContact CB-CD2 3.61Å; A280-Y294 HydrophobicContact CB-CE2 4.29Å; A280-Y294 HydrophobicContact CB-CG 4.22Å; A282-Y294 CarbonylContact O-C 3.6Å; A282-Y294 VanDerWaalsContact O-CA 3.31Å; A282-Y294 WeakPolarHBondContact O-CA 3.46Å; L292-Y294 HydrophobicContact CD2-CD1 4.46Å; L292-Y294 HydrophobicContact CG-CD1 4.46Å; Y294-R302 HydrophobicContact CD1-CB 3.95Å; Y294-R302 HydrophobicContact CD2-CB 4.23Å; Y294-R302 HydrophobicContact CE1-CB 3.46Å; Y294-R302 VanDerWaalsContact CE1-CB 3.46Å; Y294-R302 HydrophobicContact CE2-CB 3.83Å; Y294-R302 HydrophobicContact CE2-CG 4.23Å; Y294-R302 HydrophobicContact CG-CB 4.32Å; Y294-R302 VanDerWaalsContact CZ-CB 3.42Å; Y294-R302 VanDerWaalsContact CZ-CD 3.45Å; Y294-R302 PolarHBondContact N-O 3.07Å; Y294-R302 PolarHBondContact O-N 3.29Å; Y294-R302 VanDerWaalsContact OH-CD 3.23Å; Y294-R302 WeakPolarHBondContact OH-CD 3.46Å; Y294-C304 HydrophobicContact CE1-CB 4.1Å
295	L	85.3	Confident	81.6	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	122.9	173.5	-62.3	173.2	0	0	0	109	A280 K281 A282 T300 L301 L317 P321 I324 V335	A280-L295 CarbonylContact C-O 3.52Å; A280-L295 WeakPolarHBondContact CA-O 3.48Å; K281-L295 PolarHBondContact N-O 3.2Å; A282-L295 HydrophobicContact CB-CD1 4.44Å; A282-L295 PolarHBondContact O-N 2.88Å; L295-T300 CarbonylContact C-O 3.59Å; L295-T300 WeakPolarHBondContact CA-O 3.07Å; L295-L301 HydrophobicContact CD2-CB 4.26Å; L295-L301 HydrophobicContact CD2-CD1 3.8Å; L295-L317 HydrophobicContact CD2-CD1 3.89Å; L295-P321 HydrophobicContact CB-CG 4.08Å; L295-P321 HydrophobicContact CD1-CB 3.63Å; L295-P321 HydrophobicContact CD1-CG 3.76Å; L295-P321 HydrophobicContact CD2-CB 4.13Å; L295-P321 HydrophobicContact CD2-CG 3.93Å; L295-P321 HydrophobicContact CG-CB 4.4Å; L295-P321 HydrophobicContact CG-CG 4.14Å; L295-I324 HydrophobicContact CD1-CB 3.75Å; L295-I324 HydrophobicContact CD1-CD1 4.33Å; L295-I324 HydrophobicContact CD1-CG2 4.22Å; L295-I324 HydrophobicContact CD2-CD1 4.16Å; L295-I324 HydrophobicContact CG-CB 4.27Å; L295-I324 HydrophobicContact CG-CD1 3.93Å; L295-V335 HydrophobicContact CD1-CG1 4.42Å; L295-V335 HydrophobicContact CD2-CG1 4.24Å; L295-V335 HydrophobicContact CD2-CG2 4.49Å
296	G	83	Confident	81.4	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.01	12%	0.122	C	C	.	.			trans	-79.1	153.3	170.5	0	0	0	0	0	111.9	S279 D298 S299 T300	S279-G296 WeakPolarHBondContact O-CA 3.43Å; G296-D298 WeakPolarHBondContact CA-OD1 3.32Å; G296-D298 PolarHBondContact O-N 3.24Å; G296-S299 PolarHBondContact O-N 3.49Å; G296-T300 PolarHBondContact N-O 3.33Å
297	Y	81.1	Confident	81.2	Confident	118 Å²	118	24.9 Å²	24.9	46%	0.463	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-13.8	169	-77.3	-92.8	0	0	0	112.7	S279 K281 S299	S279-Y297 WeakPolarHBondContact OG-CD2 3.16Å; K281-Y297 HydrophobicContact CB-CD1 4.48Å; K281-Y297 HydrophobicContact CB-CD2 3.94Å; K281-Y297 HydrophobicContact CB-CE1 4.29Å; K281-Y297 HydrophobicContact CB-CE2 3.77Å; K281-Y297 HydrophobicContact CB-CG 4.33Å; K281-Y297 HydrophobicContact CD-CE1 4.4Å; K281-Y297 HydrophobicContact CG-CE1 4.21Å; K281-Y297 HydrophobicContact CG-CE2 4.41Å; Y297-S299 PolarHBondContact O-N 3.3Å
298	D	79	Confident	81.1	Confident	66 Å²	66	24.2 Å²	24.2	35%	0.353	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	18.2	174.2	70.5	-28.7	0	0	0	113.4	G296 T300 R302 R314	G296-D298 WeakPolarHBondContact CA-OD1 3.32Å; G296-D298 PolarHBondContact O-N 3.24Å; D298-T300 VanDerWaalsContact C-N 3.28Å; D298-T300 VanDerWaalsContact CG-OG1 3.24Å; D298-T300 PolarHBondContact O-N 3.26Å; D298-T300 PolarHBondContact OD1-N 2.86Å; D298-T300 PolarHBondContact OD1-OG1 3.09Å; D298-T300 VanDerWaalsContact OD2-CG2 3.3Å; D298-T300 WeakPolarHBondContact OD2-CG2 3.37Å; D298-T300 PolarHBondContact OD2-OG1 3.33Å; D298-R302 IonicContact OD1-NH2 3.33Å; D298-R302 IonicContact OD2-CZ 3.29Å; D298-R302 IonicContact OD2-NH2 2.78Å; D298-R302 PolarHBondContact OD2-NH2 2.82Å; D298-R314 IonicContact OD2-CZ 3.75Å; D298-R314 IonicContact OD2-NE 2.82Å; D298-R314 IonicContact OD2-NH2 2.61Å; D298-R314 PolarHBondContact OD2-NH2 3.3Å
299	S	80.6	Confident	81.2	Confident	32 Å²	32	20.7 Å²	20.7	22%	0.224	11%	0.105	C	C	.	.	S	Bend	trans	56.2	40.6	-176.3	-56.6	0	0	0	0	112.7	G296 Y297 L317	G296-S299 PolarHBondContact O-N 3.49Å; Y297-S299 PolarHBondContact O-N 3.3Å; S299-L317 WeakPolarHBondContact O-CB 3.24Å; S299-L317 PolarHBondContact O-N 3.06Å
300	T	79	Confident	81.4	Confident	6 Å²	6	21.3 Å²	21.3	4%	0.037	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.6	175.5	68.2	0	0	0	0	112.1	L295 G296 D298 R302 R314 C315	L295-T300 CarbonylContact C-O 3.59Å; L295-T300 WeakPolarHBondContact CA-O 3.07Å; G296-T300 PolarHBondContact N-O 3.33Å; D298-T300 VanDerWaalsContact C-N 3.28Å; D298-T300 VanDerWaalsContact CG-OG1 3.24Å; D298-T300 PolarHBondContact O-N 3.26Å; D298-T300 PolarHBondContact OD1-N 2.86Å; D298-T300 PolarHBondContact OD1-OG1 3.09Å; D298-T300 VanDerWaalsContact OD2-CG2 3.3Å; D298-T300 WeakPolarHBondContact OD2-CG2 3.37Å; D298-T300 PolarHBondContact OD2-OG1 3.33Å; T300-R302 PolarHBondContact OG1-NE 3.22Å; T300-R314 HydrophobicContact CG2-CG 4.43Å; T300-C315 CarbonylContact C-O 3.52Å; T300-C315 WeakPolarHBondContact CA-O 2.98Å; T300-C315 WeakPolarHBondContact CB-O 3.29Å
301	L	80.6	Confident	81.2	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	123.9	166.2	177.3	62.2	0	0	0	108.2	L295 R314 C315 L317 I324 L333 F344 I402	L295-L301 HydrophobicContact CD2-CB 4.26Å; L295-L301 HydrophobicContact CD2-CD1 3.8Å; L301-R314 CarbonylContact O-C 3.46Å; L301-R314 WeakPolarHBondContact O-CA 3.35Å; L301-C315 PolarHBondContact N-O 3.4Å; L301-C315 PolarHBondContact O-N 3.49Å; L301-L317 HydrophobicContact CB-CD1 4.22Å; L301-L317 HydrophobicContact CB-CD2 4.04Å; L301-L317 HydrophobicContact CB-CG 4.27Å; L301-I324 HydrophobicContact CD1-CD1 3.96Å; L301-L333 HydrophobicContact CD1-CD2 4.06Å; L301-L333 HydrophobicContact CD2-CD2 3.77Å; L301-F344 HydrophobicContact CD2-CD1 3.66Å; L301-F344 HydrophobicContact CD2-CE1 3.85Å; L301-F344 HydrophobicContact CD2-CG 4.47Å; L301-I402 HydrophobicContact CD2-CD1 3.55Å; L301-I402 HydrophobicContact CG-CD1 4.46Å
302	R	79.7	Confident	80.7	Confident	14 Å²	14	20.6 Å²	20.6	5%	0.053	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	149.6	-175.5	-65.4	-178.8	-175.4	-179.2	6.9	111	C277 Y294 D298 T300 Y313 R314	C277-R302 PolarHBondContact O-NH1 2.64Å; Y294-R302 HydrophobicContact CD1-CB 3.95Å; Y294-R302 HydrophobicContact CD2-CB 4.23Å; Y294-R302 HydrophobicContact CE1-CB 3.46Å; Y294-R302 VanDerWaalsContact CE1-CB 3.46Å; Y294-R302 HydrophobicContact CE2-CB 3.83Å; Y294-R302 HydrophobicContact CE2-CG 4.23Å; Y294-R302 HydrophobicContact CG-CB 4.32Å; Y294-R302 VanDerWaalsContact CZ-CB 3.42Å; Y294-R302 VanDerWaalsContact CZ-CD 3.45Å; Y294-R302 PolarHBondContact N-O 3.07Å; Y294-R302 PolarHBondContact O-N 3.29Å; Y294-R302 VanDerWaalsContact OH-CD 3.23Å; Y294-R302 WeakPolarHBondContact OH-CD 3.46Å; D298-R302 IonicContact OD1-NH2 3.33Å; D298-R302 IonicContact OD2-CZ 3.29Å; D298-R302 IonicContact OD2-NH2 2.78Å; D298-R302 PolarHBondContact OD2-NH2 2.82Å; T300-R302 PolarHBondContact OG1-NE 3.22Å; R302-Y313 WeakPolarHBondContact CA-O 3.42Å; R302-R314 HydrophobicContact CG-CB 4.43Å; R302-R314 HydrophobicContact CG-CG 4.07Å
303	V	80.5	Confident	79.8	Confident	2 Å²	2	22.3 Å²	22.3	1%	0.012	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.5	176.7	-169.5	0	0	0	0	108.8	I291 L292 L293 L312 Y313 L399	I291-V303 HydrophobicContact CG2-CG1 3.29Å; L292-V303 WeakPolarHBondContact O-CA 3.49Å; L293-V303 HydrophobicContact CD2-CB 4.48Å; L293-V303 HydrophobicContact CD2-CG1 4.4Å; L293-V303 HydrophobicContact CD2-CG2 3.49Å; L293-V303 VanDerWaalsContact CD2-CG2 3.49Å; L293-V303 HydrophobicContact CG-CG2 4.47Å; V303-L312 PolarHBondContact O-N 3.5Å; V303-Y313 HydrophobicContact CG2-CD1 4.21Å; V303-Y313 PolarHBondContact N-O 3.08Å; V303-Y313 PolarHBondContact O-N 3.44Å; V303-L399 HydrophobicContact CB-CD1 3.76Å; V303-L399 HydrophobicContact CG1-CD1 3.87Å; V303-L399 HydrophobicContact CG2-CD1 3.43Å; V303-L399 VanDerWaalsContact CG2-CD1 3.43Å; V303-L399 HydrophobicContact CG2-CD2 3.97Å; V303-L399 HydrophobicContact CG2-CG 4.38Å
304	C	81.2	Confident	79	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.014	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.2	-178.2	-175.9	0	0	0	0	110.4	F275 I291 L292 Y294 G309 L310	F275-C304 VanDerWaalsContact CE2-SG 3.57Å; I291-C304 CarbonylContact C-O 3.49Å; I291-C304 WeakPolarHBondContact CA-O 3.47Å; L292-C304 PolarHBondContact N-O 2.66Å; L292-C304 PolarHBondContact O-N 2.67Å; Y294-C304 HydrophobicContact CE1-CB 4.1Å; C304-G309 PolarHBondContact SG-O 2.99Å; C304-L310 WeakPolarHBondContact CA-O 3.23Å; C304-L310 PolarHBondContact SG-O 3.49Å
305	C	81.7	Confident	78.3	Confident	22 Å²	22	26.1 Å²	26.1	15%	0.149	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	119.9	171.3	-176.1	0	0	0	0	110	K290 S307 T308 G309 L310 L312	K290-C305 CarbonylContact O-C 3.58Å; K290-C305 WeakPolarHBondContact O-CA 3.46Å; C305-S307 PolarHBondContact O-N 3.47Å; C305-S307 PolarHBondContact SG-OG 3.44Å; C305-T308 PolarHBondContact O-N 3.17Å; C305-G309 VanDerWaalsContact O-CA 3.29Å; C305-G309 WeakPolarHBondContact O-CA 3.5Å; C305-G309 PolarHBondContact O-N 2.94Å; C305-L310 PolarHBondContact N-O 2.78Å; C305-L312 HydrophobicContact CB-CD1 4.13Å; C305-L312 HydrophobicContact CB-CD2 4.41Å; C305-L312 HydrophobicContact CB-CG 4.29Å
306	T	84	Confident	77.7	Confident	9 Å²	9	29 Å²	29	6%	0.055	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.1	-176.9	60.4	0	0	0	0	113.3	W285 K290 L292 L600	W285-T306 VanDerWaalsContact NE1-CG2 3.31Å; K290-T306 VanDerWaalsContact CA-OG1 3.26Å; K290-T306 WeakPolarHBondContact CA-OG1 3.29Å; K290-T306 PolarHBondContact O-N 3.34Å; K290-T306 PolarHBondContact O-OG1 3.08Å; L292-T306 HydrophobicContact CB-CG2 3.72Å; T306-L600 HydrophobicContact CG2-CD1 4.35Å
307	S	79.8	Confident	77.2	Confident	27 Å²	27	29.7 Å²	29.7	19%	0.189	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-16.6	178.7	66.8	0	0	0	0	115	Y273 C305	Y273-S307 WeakPolarHBondContact CE1-O 3.44Å; Y273-S307 PolarHBondContact OH-O 2.75Å; C305-S307 PolarHBondContact O-N 3.47Å; C305-S307 PolarHBondContact SG-OG 3.44Å
308	T	77.3	Confident	76.6	Confident	5 Å²	5	31.4 Å²	31.4	3%	0.031	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.4	-15.7	-177.6	54.3	0	0	0	0	112.8	S180 L183 H184 V187 C305 L310	S180-T308 WeakPolarHBondContact CA-O 3.45Å; S180-T308 WeakPolarHBondContact CB-O 3.4Å; L183-T308 HydrophobicContact CB-CG2 4.35Å; H184-T308 HydrophobicContact CB-CG2 4.29Å; V187-T308 HydrophobicContact CG2-CG2 3.78Å; C305-T308 PolarHBondContact O-N 3.17Å; T308-L310 PolarHBondContact O-N 3.37Å; T308-L310 WeakPolarHBondContact OG1-CB 3.29Å; T308-L310 PolarHBondContact OG1-N 3.26Å
309	G	78.7	Confident	76.2	Confident	5 Å²	5	34.5 Å²	34.5	5%	0.052	18%	0.184	C	C	.	.			trans	67.7	14.3	-168.2	0	0	0	0	0	113.3	S180 F275 C304 C305	S180-G309 WeakPolarHBondContact CB-O 3.31Å; S180-G309 PolarHBondContact OG-O 3.29Å; F275-G309 VanDerWaalsContact CG-CA 3.48Å; C304-G309 PolarHBondContact SG-O 2.99Å; C305-G309 VanDerWaalsContact O-CA 3.29Å; C305-G309 WeakPolarHBondContact O-CA 3.5Å; C305-G309 PolarHBondContact O-N 2.94Å
310	L	76.6	Confident	76	Confident	32 Å²	32	37.8 Å²	37.8	17%	0.168	20%	0.197	C	C	.	.			trans	-77	124.5	-179.8	-172.9	69.8	0	0	0	109.9	T181 H184 C304 C305 T308 L312	T181-L310 HydrophobicContact CG2-CD1 4.25Å; H184-L310 HydrophobicContact CB-CD2 4.19Å; C304-L310 WeakPolarHBondContact CA-O 3.23Å; C304-L310 PolarHBondContact SG-O 3.49Å; C305-L310 PolarHBondContact N-O 2.78Å; T308-L310 PolarHBondContact O-N 3.37Å; T308-L310 WeakPolarHBondContact OG1-CB 3.29Å; T308-L310 PolarHBondContact OG1-N 3.26Å; L310-L312 HydrophobicContact CD2-CD2 4.34Å; L310-L312 PolarHBondContact O-N 2.88Å
311	Q	74.3	Confident	76	Confident	42 Å²	42	37.6 Å²	37.6	20%	0.196	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	118.4	173.3	-173.1	172.4	-5.7	0	0	109.6	Y313 F373	Q311-Y313 PolarHBondContact NE2-O 3.31Å; Q311-F373 HydrophobicContact CG-CD2 4.46Å
312	L	71.7	Confident	75.8	Confident	46 Å²	46	39 Å²	39	24%	0.241	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-33.5	-177.2	-59.2	179	0	0	0	112.1	V303 C305 L310	V303-L312 PolarHBondContact O-N 3.5Å; C305-L312 HydrophobicContact CB-CD1 4.13Å; C305-L312 HydrophobicContact CB-CD2 4.41Å; C305-L312 HydrophobicContact CB-CG 4.29Å; L310-L312 HydrophobicContact CD2-CD2 4.34Å; L310-L312 PolarHBondContact O-N 2.88Å
313	Y	68.4	Low	75.8	Confident	36 Å²	36	39.1 Å²	39.1	14%	0.141	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	150.4	-172.8	-171.7	-102.8	0	0	0	112.5	R302 V303 Q311 C315 L399 I402	R302-Y313 WeakPolarHBondContact CA-O 3.42Å; V303-Y313 HydrophobicContact CG2-CD1 4.21Å; V303-Y313 PolarHBondContact N-O 3.08Å; V303-Y313 PolarHBondContact O-N 3.44Å; Q311-Y313 PolarHBondContact NE2-O 3.31Å; Y313-C315 HydrophobicContact CD1-CB 4.37Å; Y313-C315 HydrophobicContact CE1-CB 3.45Å; Y313-C315 VanDerWaalsContact CE1-CB 3.45Å; Y313-L399 HydrophobicContact CD1-CB 4.24Å; Y313-L399 HydrophobicContact CD1-CD1 4.29Å; Y313-L399 HydrophobicContact CD1-CD2 4.18Å; Y313-L399 HydrophobicContact CD1-CG 4.49Å; Y313-L399 HydrophobicContact CD2-CB 3.84Å; Y313-L399 HydrophobicContact CE1-CB 4.43Å; Y313-L399 HydrophobicContact CE1-CD2 4.42Å; Y313-L399 HydrophobicContact CE2-CB 4.05Å; Y313-L399 HydrophobicContact CG-CB 3.94Å; Y313-L399 HydrophobicContact CG-CD1 3.96Å; Y313-L399 HydrophobicContact CG-CG 4.38Å; Y313-I402 HydrophobicContact CD1-CD1 4.29Å; Y313-I402 HydrophobicContact CE1-CD1 3.63Å
314	R	70	Confident	75.9	Confident	54 Å²	54	40.1 Å²	40.1	20%	0.204	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	125.3	172.7	-173.3	178.1	-175.7	-157.7	-2.5	108.7	D298 T300 L301 R302 F373	D298-R314 IonicContact OD2-CZ 3.75Å; D298-R314 IonicContact OD2-NE 2.82Å; D298-R314 IonicContact OD2-NH2 2.61Å; D298-R314 PolarHBondContact OD2-NH2 3.3Å; T300-R314 HydrophobicContact CG2-CG 4.43Å; L301-R314 CarbonylContact O-C 3.46Å; L301-R314 WeakPolarHBondContact O-CA 3.35Å; R302-R314 HydrophobicContact CG-CB 4.43Å; R302-R314 HydrophobicContact CG-CG 4.07Å; R314-F373 HydrophobicContact CB-CE1 4.42Å; R314-F373 HydrophobicContact CB-CE2 3.73Å; R314-F373 HydrophobicContact CB-CZ 3.6Å; R314-F373 HydrophobicContact CG-CZ 4.45Å
315	C	71.6	Confident	76	Confident	30 Å²	30	41 Å²	41	20%	0.203	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.1	171.5	177.7	0	0	0	0	108.9	T300 L301 Y313	T300-C315 CarbonylContact C-O 3.52Å; T300-C315 WeakPolarHBondContact CA-O 2.98Å; T300-C315 WeakPolarHBondContact CB-O 3.29Å; L301-C315 PolarHBondContact N-O 3.4Å; L301-C315 PolarHBondContact O-N 3.49Å; Y313-C315 HydrophobicContact CD1-CB 4.37Å; Y313-C315 HydrophobicContact CE1-CB 3.45Å; Y313-C315 VanDerWaalsContact CE1-CB 3.45Å
316	A	73.7	Confident	75.8	Confident	59 Å²	59	41.5 Å²	41.5	49%	0.488	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	128.2	170.4	0	0	0	0	0	109.1
317	L	71.9	Confident	75.3	Confident	16 Å²	16	41.2 Å²	41.2	8%	0.084	22%	0.216	C	C	.	.			trans	-92.6	143	175.2	-54.4	177.5	0	0	0	108.7	L295 S299 L301 R319 P321 V335 Y337 F344	L295-L317 HydrophobicContact CD2-CD1 3.89Å; S299-L317 WeakPolarHBondContact O-CB 3.24Å; S299-L317 PolarHBondContact O-N 3.06Å; L301-L317 HydrophobicContact CB-CD1 4.22Å; L301-L317 HydrophobicContact CB-CD2 4.04Å; L301-L317 HydrophobicContact CB-CG 4.27Å; L317-R319 PolarHBondContact O-N 2.87Å; L317-P321 HydrophobicContact CD1-CB 4.13Å; L317-P321 HydrophobicContact CD1-CG 3.96Å; L317-V335 HydrophobicContact CD1-CG1 4.29Å; L317-Y337 HydrophobicContact CB-CE1 4.22Å; L317-Y337 HydrophobicContact CD1-CE1 4.13Å; L317-F344 HydrophobicContact CD2-CE1 4Å; L317-F344 HydrophobicContact CD2-CZ 3.86Å
318	N	68.6	Low	74.6	Confident	154 Å²	154	46.5 Å²	46.5	82%	0.824	23%	0.232	S	C	*	.	S	Bend	trans	-71.6	-18.2	-178.7	-67.2	-33.8	0	0	0	113.3
319	R	71	Confident	73.8	Confident	132 Å²	132	48.8 Å²	48.8	50%	0.498	25%	0.248	S	C	.	.	S	Bend	trans	-135.4	155.7	-177.9	-65.3	-172.3	-176.6	-159.9	6.3	110.4	L317 P321 Y337 D338	L317-R319 PolarHBondContact O-N 2.87Å; R319-P321 WeakPolarHBondContact O-CD 3.29Å; R319-Y337 HydrophobicContact CB-CD1 3.58Å; R319-Y337 HydrophobicContact CB-CE1 4.16Å; R319-Y337 HydrophobicContact CB-CG 4.02Å; R319-Y337 WeakPolarHBondContact O-CE1 2.99Å; R319-D338 PolarHBondContact NH1-O 3Å
320	M	75.1	Confident	73	Confident	101 Å²	101	53.6 Å²	53.6	50%	0.498	27%	0.269	S	S	.	.			trans	-69.1	119.6	175.5	-169.4	177.5	-180	0	0	109.3
321	P	79	Confident	72.7	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	146	-177.6	33.7	-37.3	0	0	0	110.8	K281 L295 L317 R319 V335 S336 Y337	K281-P321 PolarHBondContact NZ-O 2.81Å; L295-P321 HydrophobicContact CB-CG 4.08Å; L295-P321 HydrophobicContact CD1-CB 3.63Å; L295-P321 HydrophobicContact CD1-CG 3.76Å; L295-P321 HydrophobicContact CD2-CB 4.13Å; L295-P321 HydrophobicContact CD2-CG 3.93Å; L295-P321 HydrophobicContact CG-CB 4.4Å; L295-P321 HydrophobicContact CG-CG 4.14Å; L317-P321 HydrophobicContact CD1-CB 4.13Å; L317-P321 HydrophobicContact CD1-CG 3.96Å; R319-P321 WeakPolarHBondContact O-CD 3.29Å; P321-V335 HydrophobicContact CB-CG1 3.58Å; P321-S336 CarbonylContact C-O 3.56Å; P321-S336 VanDerWaalsContact CA-O 3.22Å; P321-S336 WeakPolarHBondContact CA-O 3.33Å; P321-Y337 HydrophobicContact CB-CD1 4.23Å; P321-Y337 HydrophobicContact CB-CE1 4.12Å
322	T	76.7	Confident	72.7	Confident	30 Å²	30	56 Å²	56	18%	0.184	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-52.5	179.5	55.7	0	0	0	0	111.7	S336 I415 V416	T322-S336 PolarHBondContact N-O 3.41Å; T322-S336 WeakPolarHBondContact OG1-CB 3.25Å; T322-S336 PolarHBondContact OG1-O 3.03Å; T322-S336 PolarHBondContact OG1-OG 2.81Å; T322-I415 HydrophobicContact CG2-CG2 4.11Å; T322-V416 VanDerWaalsContact CB-O 3.29Å; T322-V416 WeakPolarHBondContact CB-O 3.41Å; T322-V416 PolarHBondContact OG1-O 2.94Å
323	S	79.2	Confident	73	Confident	17 Å²	17	53.8 Å²	53.8	12%	0.119	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	161.4	177.7	79	0	0	0	0	112.5	S336 C419	S323-S336 WeakPolarHBondContact CA-OG 2.98Å; S323-S336 WeakPolarHBondContact CB-OG 3.34Å; S323-S336 PolarHBondContact N-OG 3.02Å; S323-S336 PolarHBondContact O-N 2.73Å; S323-S336 PolarHBondContact O-OG 2.9Å; S323-S336 PolarHBondContact OG-OG 3.23Å; S323-C419 PolarHBondContact OG-N 3.4Å; S323-C419 PolarHBondContact OG-SG 2.81Å
324	I	84.4	Confident	73.5	Confident	22 Å²	22	52 Å²	52	11%	0.113	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143	178	-166.7	169.6	0	0	0	109.4	A282 I284 L295 L301 L333 L334 V335	A282-I324 HydrophobicContact CB-CG2 3.79Å; I284-I324 HydrophobicContact CD1-CB 4.36Å; I284-I324 HydrophobicContact CD1-CD1 4.41Å; I284-I324 HydrophobicContact CD1-CG1 3.82Å; I284-I324 HydrophobicContact CD1-CG2 4.03Å; I284-I324 HydrophobicContact CG1-CG1 4.42Å; I284-I324 HydrophobicContact CG1-CG2 3.92Å; L295-I324 HydrophobicContact CD1-CB 3.75Å; L295-I324 HydrophobicContact CD1-CD1 4.33Å; L295-I324 HydrophobicContact CD1-CG2 4.22Å; L295-I324 HydrophobicContact CD2-CD1 4.16Å; L295-I324 HydrophobicContact CG-CB 4.27Å; L295-I324 HydrophobicContact CG-CD1 3.93Å; L301-I324 HydrophobicContact CD1-CD1 3.96Å; I324-L333 HydrophobicContact CD1-CD1 3.72Å; I324-L333 HydrophobicContact CD1-CD2 3.96Å; I324-L333 HydrophobicContact CD1-CG 4.18Å; I324-L333 HydrophobicContact CG1-CD1 3.55Å; I324-L333 HydrophobicContact CG1-CD2 4.3Å; I324-L333 HydrophobicContact CG1-CG 4.01Å; I324-L334 CarbonylContact C-O 3.58Å; I324-L334 VanDerWaalsContact CA-O 3.29Å; I324-L334 WeakPolarHBondContact CA-O 3.46Å; I324-V335 HydrophobicContact CD1-CG2 4.49Å; I324-V335 HydrophobicContact CG1-CG2 4.28Å
325	C	81.8	Confident	73.9	Confident	22 Å²	22	49.5 Å²	49.5	15%	0.149	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	144.3	174.4	-176	0	0	0	0	110.1	I284 L333 L334 C419	I284-C325 VanDerWaalsContact CD1-C 3.43Å; C325-L333 CarbonylContact O-C 3.54Å; C325-L333 WeakPolarHBondContact O-CA 3.2Å; C325-L334 HydrophobicContact CB-CB 4.35Å; C325-L334 PolarHBondContact N-O 3.08Å; C325-L334 PolarHBondContact O-N 2.91Å; C325-C419 WeakPolarHBondContact CB-O 3.44Å
326	F	78.3	Confident	74.1	Confident	31 Å²	31	48 Å²	48	14%	0.136	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	140.5	178.6	-162.8	-111.8	0	0	0	110.1	I284 L286 L293 E330 K332 L333 I346	I284-F326 HydrophobicContact CD1-CB 3.67Å; I284-F326 VanDerWaalsContact CD1-N 3.31Å; I284-F326 HydrophobicContact CG2-CB 3.85Å; L286-F326 HydrophobicContact CD1-CD1 4.38Å; L286-F326 HydrophobicContact CD1-CE1 3.78Å; L286-F326 HydrophobicContact CD1-CE2 4.33Å; L286-F326 HydrophobicContact CD1-CZ 3.74Å; L286-F326 HydrophobicContact CD2-CD1 3.46Å; L286-F326 VanDerWaalsContact CD2-CD1 3.46Å; L286-F326 HydrophobicContact CD2-CE1 3.5Å; L286-F326 VanDerWaalsContact CD2-CE1 3.5Å; L286-F326 HydrophobicContact CD2-CG 4.2Å; L286-F326 HydrophobicContact CD2-CZ 4.3Å; L286-F326 HydrophobicContact CG-CE1 4.3Å; L293-F326 HydrophobicContact CD1-CD2 4.39Å; L293-F326 HydrophobicContact CD1-CE2 4.35Å; F326-E330 VanDerWaalsContact CZ-O 3.3Å; F326-E330 WeakPolarHBondContact CZ-O 3.44Å; F326-K332 WeakPolarHBondContact CD2-O 3.48Å; F326-K332 WeakPolarHBondContact CE2-O 3.35Å; F326-L333 HydrophobicContact CB-CD1 4.3Å; F326-L333 HydrophobicContact CD2-CB 3.88Å; F326-L333 HydrophobicContact CD2-CD1 3.68Å; F326-L333 HydrophobicContact CD2-CG 4.48Å; F326-L333 HydrophobicContact CE2-CB 4.24Å; F326-L333 HydrophobicContact CG-CD1 4.48Å; F326-I346 HydrophobicContact CD2-CD1 4.24Å; F326-I346 HydrophobicContact CE2-CB 4.33Å; F326-I346 HydrophobicContact CE2-CD1 3.58Å; F326-I346 HydrophobicContact CE2-CG1 3.99Å; F326-I346 HydrophobicContact CZ-CD1 4.48Å
327	S	72.9	Confident	74.1	Confident	3 Å²	3	46 Å²	46	2%	0.021	22%	0.223	C	C	.	.			trans	-72.3	141.7	179.1	176.4	0	0	0	0	110.6	S329 E330 K332	S327-S329 PolarHBondContact O-N 2.88Å; S327-S329 PolarHBondContact OG-N 2.95Å; S327-S329 PolarHBondContact OG-OG 3.12Å; S327-E330 PolarHBondContact O-N 2.71Å; S327-K332 WeakPolarHBondContact CB-O 3.3Å; S327-K332 PolarHBondContact N-O 3.13Å
328	R	65.4	Low	74.1	Confident	138 Å²	138	49.4 Å²	49.4	52%	0.521	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.9	172.3	-70.1	-177.7	177.3	153.5	-0.4	113.1	E330	R328-E330 PolarHBondContact O-N 2.69Å
329	S	60.3	Low	74.1	Confident	53 Å²	53	42.7 Å²	42.7	37%	0.371	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	22.8	177.1	61.7	0	0	0	0	114.1	S327 N331	S327-S329 PolarHBondContact O-N 2.88Å; S327-S329 PolarHBondContact OG-N 2.95Å; S327-S329 PolarHBondContact OG-OG 3.12Å; S329-N331 VanDerWaalsContact C-N 3.27Å; S329-N331 PolarHBondContact O-N 3.2Å; S329-N331 VanDerWaalsContact O-N 3.09Å
330	E	62.4	Low	74.1	Confident	106 Å²	106	36.7 Å²	36.7	50%	0.495	19%	0.187	S	C	.	.	S	Bend	trans	64.8	-0.4	168.3	-68	-178.1	-168.8	0	0	118.5	F326 S327 R328	F326-E330 VanDerWaalsContact CZ-O 3.3Å; F326-E330 WeakPolarHBondContact CZ-O 3.44Å; S327-E330 PolarHBondContact O-N 2.71Å; R328-E330 PolarHBondContact O-N 2.69Å
331	N	69.6	Low	74	Confident	69 Å²	69	32.4 Å²	32.4	37%	0.369	17%	0.166	S	C	.	.	S	Bend	trans	-131.4	-3	-171.3	-63	-36.5	0	0	0	116.5	S329 E345 I346	S329-N331 VanDerWaalsContact C-N 3.27Å; S329-N331 PolarHBondContact O-N 3.2Å; S329-N331 VanDerWaalsContact O-N 3.09Å; N331-E345 CarbonylContact O-C 3.53Å; N331-E345 WeakPolarHBondContact O-CA 3.45Å; N331-E345 WeakPolarHBondContact O-CG 3.39Å; N331-I346 PolarHBondContact O-N 2.87Å
332	K	74.7	Confident	73.7	Confident	55 Å²	55	32.4 Å²	32.4	24%	0.239	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140.3	-177.5	-61.9	-177.3	-171.5	174.9	0	112.4	F326 S327 V343 F344 F421 G425	F326-K332 WeakPolarHBondContact CD2-O 3.48Å; F326-K332 WeakPolarHBondContact CE2-O 3.35Å; S327-K332 WeakPolarHBondContact CB-O 3.3Å; S327-K332 PolarHBondContact N-O 3.13Å; K332-V343 HydrophobicContact CB-CG1 4.41Å; K332-V343 HydrophobicContact CD-CG1 4.37Å; K332-F344 CarbonylContact C-O 3.53Å; K332-F344 WeakPolarHBondContact CA-O 3.32Å; K332-F421 HydrophobicContact CB-CE1 4.4Å; K332-F421 HydrophobicContact CB-CZ 3.84Å; K332-G425 PolarHBondContact NZ-O 3.16Å
333	L	78.7	Confident	73.6	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127	178.5	178.7	86	0	0	0	109.2	I284 L293 L301 I324 C325 F326 V335 V343 F344 I346	I284-L333 HydrophobicContact CD1-CD1 3.88Å; L293-L333 HydrophobicContact CD1-CD1 4.47Å; L301-L333 HydrophobicContact CD1-CD2 4.06Å; L301-L333 HydrophobicContact CD2-CD2 3.77Å; I324-L333 HydrophobicContact CD1-CD1 3.72Å; I324-L333 HydrophobicContact CD1-CD2 3.96Å; I324-L333 HydrophobicContact CD1-CG 4.18Å; I324-L333 HydrophobicContact CG1-CD1 3.55Å; I324-L333 HydrophobicContact CG1-CD2 4.3Å; I324-L333 HydrophobicContact CG1-CG 4.01Å; C325-L333 CarbonylContact O-C 3.54Å; C325-L333 WeakPolarHBondContact O-CA 3.2Å; F326-L333 HydrophobicContact CB-CD1 4.3Å; F326-L333 HydrophobicContact CD2-CB 3.88Å; F326-L333 HydrophobicContact CD2-CD1 3.68Å; F326-L333 HydrophobicContact CD2-CG 4.48Å; F326-L333 HydrophobicContact CE2-CB 4.24Å; F326-L333 HydrophobicContact CG-CD1 4.48Å; L333-V335 HydrophobicContact CD2-CG2 3.99Å; L333-V335 HydrophobicContact CG-CG2 4.36Å; L333-V343 CarbonylContact O-C 3.58Å; L333-V343 WeakPolarHBondContact O-CA 3.45Å; L333-F344 HydrophobicContact CB-CB 3.94Å; L333-F344 HydrophobicContact CD2-CB 4.11Å; L333-F344 HydrophobicContact CD2-CG 4.33Å; L333-F344 HydrophobicContact CG-CB 4.47Å; L333-F344 PolarHBondContact N-O 2.78Å; L333-F344 WeakPolarHBondContact O-CB 3.35Å; L333-F344 PolarHBondContact O-N 2.88Å; L333-I346 HydrophobicContact CB-CD1 3.88Å; L333-I346 HydrophobicContact CB-CG1 4.1Å; L333-I346 HydrophobicContact CD1-CD1 4.48Å; L333-I346 HydrophobicContact CD2-CD1 4.15Å; L333-I346 HydrophobicContact CG-CD1 4.41Å
334	L	79	Confident	73.2	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131.8	169.4	-75.1	162.1	0	0	0	109.1	I324 C325 V341 A342 V343 F421 A428 L442	I324-L334 CarbonylContact C-O 3.58Å; I324-L334 VanDerWaalsContact CA-O 3.29Å; I324-L334 WeakPolarHBondContact CA-O 3.46Å; C325-L334 HydrophobicContact CB-CB 4.35Å; C325-L334 PolarHBondContact N-O 3.08Å; C325-L334 PolarHBondContact O-N 2.91Å; L334-V341 HydrophobicContact CD2-CG1 3.52Å; L334-A342 WeakPolarHBondContact CA-O 3.37Å; L334-V343 HydrophobicContact CD2-CG2 3.63Å; L334-F421 HydrophobicContact CB-CE2 3.96Å; L334-F421 HydrophobicContact CB-CZ 4.28Å; L334-F421 HydrophobicContact CD1-CD1 3.75Å; L334-F421 HydrophobicContact CD1-CD2 3.46Å; L334-F421 VanDerWaalsContact CD1-CD2 3.46Å; L334-F421 HydrophobicContact CD1-CE1 3.65Å; L334-F421 HydrophobicContact CD1-CE2 3.3Å; L334-F421 HydrophobicContact CD1-CG 3.71Å; L334-F421 HydrophobicContact CD1-CZ 3.43Å; L334-F421 VanDerWaalsContact CD1-CZ 3.43Å; L334-F421 HydrophobicContact CD2-CE1 4.45Å; L334-F421 HydrophobicContact CD2-CZ 4.13Å; L334-F421 HydrophobicContact CG-CD1 4.47Å; L334-F421 HydrophobicContact CG-CD2 4.05Å; L334-F421 HydrophobicContact CG-CE1 3.87Å; L334-F421 HydrophobicContact CG-CE2 3.34Å; L334-F421 HydrophobicContact CG-CZ 3.27Å; L334-A428 HydrophobicContact CD1-CB 3.8Å; L334-L442 HydrophobicContact CD2-CD1 4.35Å; L334-L442 HydrophobicContact CD2-CD2 4.05Å
335	V	77.4	Confident	72.4	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124.6	165.9	-176.8	0	0	0	0	107.3	L295 L317 P321 I324 L333 Y337 A342 F344	L295-V335 HydrophobicContact CD1-CG1 4.42Å; L295-V335 HydrophobicContact CD2-CG1 4.24Å; L295-V335 HydrophobicContact CD2-CG2 4.49Å; L317-V335 HydrophobicContact CD1-CG1 4.29Å; P321-V335 HydrophobicContact CB-CG1 3.58Å; I324-V335 HydrophobicContact CD1-CG2 4.49Å; I324-V335 HydrophobicContact CG1-CG2 4.28Å; L333-V335 HydrophobicContact CD2-CG2 3.99Å; L333-V335 HydrophobicContact CG-CG2 4.36Å; V335-Y337 HydrophobicContact CG1-CE1 3.98Å; V335-Y337 HydrophobicContact CG1-CE2 4.45Å; V335-A342 PolarHBondContact N-O 2.81Å; V335-A342 PolarHBondContact O-N 3.16Å; V335-F344 HydrophobicContact CB-CD2 4.12Å; V335-F344 HydrophobicContact CB-CE2 3.64Å; V335-F344 HydrophobicContact CB-CZ 4.41Å; V335-F344 HydrophobicContact CG2-CD2 3.72Å; V335-F344 HydrophobicContact CG2-CE2 3.59Å; V335-F344 HydrophobicContact CG2-CG 4.44Å; V335-F344 HydrophobicContact CG2-CZ 4.22Å
336	S	76.4	Confident	71.6	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	146.8	175.4	46.7	0	0	0	0	110.3	P321 T322 S323	P321-S336 CarbonylContact C-O 3.56Å; P321-S336 VanDerWaalsContact CA-O 3.22Å; P321-S336 WeakPolarHBondContact CA-O 3.33Å; T322-S336 PolarHBondContact N-O 3.41Å; T322-S336 WeakPolarHBondContact OG1-CB 3.25Å; T322-S336 PolarHBondContact OG1-O 3.03Å; T322-S336 PolarHBondContact OG1-OG 2.81Å; S323-S336 WeakPolarHBondContact CA-OG 2.98Å; S323-S336 WeakPolarHBondContact CB-OG 3.34Å; S323-S336 PolarHBondContact N-OG 3.02Å; S323-S336 PolarHBondContact O-N 2.73Å; S323-S336 PolarHBondContact O-OG 2.9Å; S323-S336 PolarHBondContact OG-OG 3.23Å
337	Y	74.3	Confident	70.5	Confident	15 Å²	15	36 Å²	36	6%	0.059	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	176.7	176.2	-55.1	-74.5	0	0	0	109.2	L317 R319 P321 V335 G339 C340 A342	L317-Y337 HydrophobicContact CB-CE1 4.22Å; L317-Y337 HydrophobicContact CD1-CE1 4.13Å; R319-Y337 HydrophobicContact CB-CD1 3.58Å; R319-Y337 HydrophobicContact CB-CE1 4.16Å; R319-Y337 HydrophobicContact CB-CG 4.02Å; R319-Y337 WeakPolarHBondContact O-CE1 2.99Å; P321-Y337 HydrophobicContact CB-CD1 4.23Å; P321-Y337 HydrophobicContact CB-CE1 4.12Å; V335-Y337 HydrophobicContact CG1-CE1 3.98Å; V335-Y337 HydrophobicContact CG1-CE2 4.45Å; Y337-G339 PolarHBondContact O-N 2.86Å; Y337-C340 HydrophobicContact CD2-CB 4.43Å; Y337-C340 PolarHBondContact N-O 2.88Å; Y337-C340 PolarHBondContact O-N 2.84Å; Y337-A342 HydrophobicContact CD2-CB 4.41Å; Y337-A342 HydrophobicContact CE2-CB 3.61Å
338	D	70.4	Confident	69.5	Low	89 Å²	89	36.8 Å²	36.8	48%	0.476	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-60.7	104.1	167.9	-81.1	-16.6	0	0	0	110.8	R319 C340	R319-D338 PolarHBondContact NH1-O 3Å; D338-C340 VanDerWaalsContact C-N 3.35Å; D338-C340 PolarHBondContact O-N 2.82Å
339	G	68.8	Low	68.5	Low	12 Å²	12	35.3 Å²	35.3	12%	0.124	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	0.7	175.9	0	0	0	0	0	116.3	Y337 I412	Y337-G339 PolarHBondContact O-N 2.86Å; G339-I412 VanDerWaalsContact CA-O 3.26Å; G339-I412 WeakPolarHBondContact CA-O 3.45Å
340	C	71	Confident	67.4	Low	7 Å²	7	34.3 Å²	34.3	5%	0.047	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	155.3	-174.4	-57.3	0	0	0	0	111.4	Y337 D338 V407 D409	Y337-C340 HydrophobicContact CD2-CB 4.43Å; Y337-C340 PolarHBondContact N-O 2.88Å; Y337-C340 PolarHBondContact O-N 2.84Å; D338-C340 VanDerWaalsContact C-N 3.35Å; D338-C340 PolarHBondContact O-N 2.82Å; C340-V407 HydrophobicContact CB-CG1 3.84Å; C340-D409 PolarHBondContact SG-OD1 2.84Å
341	V	73.1	Confident	66	Low	11 Å²	11	32.1 Å²	32.1	7%	0.067	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.1	170.8	-176.7	0	0	0	0	108.5	L334 C408 V416	L334-V341 HydrophobicContact CD2-CG1 3.52Å; V341-C408 PolarHBondContact O-N 3.25Å; V341-V416 HydrophobicContact CG2-CG1 4.43Å; V341-V416 HydrophobicContact CG2-CG2 4.38Å
342	A	73.1	Confident	64	Low	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.8	177.2	0	0	0	0	0	110.7	L334 V335 Y337 F344 E404	L334-A342 WeakPolarHBondContact CA-O 3.37Å; V335-A342 PolarHBondContact N-O 2.81Å; V335-A342 PolarHBondContact O-N 3.16Å; Y337-A342 HydrophobicContact CD2-CB 4.41Å; Y337-A342 HydrophobicContact CE2-CB 3.61Å; A342-F344 HydrophobicContact CB-CD2 4.29Å; A342-F344 HydrophobicContact CB-CE2 3.61Å; A342-F344 HydrophobicContact CB-CZ 4.45Å; A342-E404 HydrophobicContact CB-CG 4.44Å
343	V	74	Confident	61.8	Low	13 Å²	13	46.5 Å²	46.5	8%	0.079	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	132.4	174.5	-174.1	0	0	0	0	108.9	K332 L333 L334 F405 L442	K332-V343 HydrophobicContact CB-CG1 4.41Å; K332-V343 HydrophobicContact CD-CG1 4.37Å; L333-V343 CarbonylContact O-C 3.58Å; L333-V343 WeakPolarHBondContact O-CA 3.45Å; L334-V343 HydrophobicContact CD2-CG2 3.63Å; V343-F405 PolarHBondContact O-N 3.03Å; V343-L442 HydrophobicContact CG2-CD1 4.42Å; V343-L442 HydrophobicContact CG2-CD2 3.87Å
344	F	71.9	Confident	59.4	Low	5 Å²	5	51 Å²	51	2%	0.022	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.3	179.7	-69	-115.7	0	0	0	107	L301 L317 K332 L333 V335 A342 I402	L301-F344 HydrophobicContact CD2-CD1 3.66Å; L301-F344 HydrophobicContact CD2-CE1 3.85Å; L301-F344 HydrophobicContact CD2-CG 4.47Å; L317-F344 HydrophobicContact CD2-CE1 4Å; L317-F344 HydrophobicContact CD2-CZ 3.86Å; K332-F344 CarbonylContact C-O 3.53Å; K332-F344 WeakPolarHBondContact CA-O 3.32Å; L333-F344 HydrophobicContact CB-CB 3.94Å; L333-F344 HydrophobicContact CD2-CB 4.11Å; L333-F344 HydrophobicContact CD2-CG 4.33Å; L333-F344 HydrophobicContact CG-CB 4.47Å; L333-F344 PolarHBondContact N-O 2.78Å; L333-F344 WeakPolarHBondContact O-CB 3.35Å; L333-F344 PolarHBondContact O-N 2.88Å; V335-F344 HydrophobicContact CB-CD2 4.12Å; V335-F344 HydrophobicContact CB-CE2 3.64Å; V335-F344 HydrophobicContact CB-CZ 4.41Å; V335-F344 HydrophobicContact CG2-CD2 3.72Å; V335-F344 HydrophobicContact CG2-CE2 3.59Å; V335-F344 HydrophobicContact CG2-CG 4.44Å; V335-F344 HydrophobicContact CG2-CZ 4.22Å; A342-F344 HydrophobicContact CB-CD2 4.29Å; A342-F344 HydrophobicContact CB-CE2 3.61Å; A342-F344 HydrophobicContact CB-CZ 4.45Å; F344-I402 HydrophobicContact CB-CG1 4.36Å; F344-I402 HydrophobicContact CB-CG2 4.47Å; F344-I402 HydrophobicContact CD1-CB 3.97Å; F344-I402 HydrophobicContact CD1-CD1 3.95Å; F344-I402 HydrophobicContact CD1-CG1 3.8Å; F344-I402 HydrophobicContact CD1-CG2 3Å; F344-I402 HydrophobicContact CE1-CG2 3.29Å; F344-I402 HydrophobicContact CG-CG2 4.04Å
345	E	66.9	Low	57	Low	81 Å²	81	60.3 Å²	60.3	38%	0.379	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	133.6	169.1	-164.5	167.8	-175.2	0	0	109.1	N331 H347	N331-E345 CarbonylContact O-C 3.53Å; N331-E345 WeakPolarHBondContact O-CA 3.45Å; N331-E345 WeakPolarHBondContact O-CG 3.39Å; E345-H347 VanDerWaalsContact CD-CE1 3.48Å; E345-H347 IonicContact OE1-CE1 3.43Å; E345-H347 PolarHBondContact OE1-CE1 2.88Å; E345-H347 IonicContact OE1-ND1 3.53Å; E345-H347 IonicContact OE1-NE2 3.85Å; E345-H347 IonicContact OE2-NE2 2.77Å
346	I	64.2	Low	54.5	Low	3 Å²	3	68 Å²	68	2%	0.015	34%	0.34	C	S	.	.			trans	-115.4	101.1	176.8	-45.4	-167.1	0	0	0	108	L293 F326 N331 L333 V348 L399	L293-I346 HydrophobicContact CD1-CD1 3.49Å; L293-I346 VanDerWaalsContact CD1-CD1 3.49Å; L293-I346 HydrophobicContact CD2-CD1 3.58Å; L293-I346 HydrophobicContact CG-CD1 4.19Å; F326-I346 HydrophobicContact CD2-CD1 4.24Å; F326-I346 HydrophobicContact CE2-CB 4.33Å; F326-I346 HydrophobicContact CE2-CD1 3.58Å; F326-I346 HydrophobicContact CE2-CG1 3.99Å; F326-I346 HydrophobicContact CZ-CD1 4.48Å; N331-I346 PolarHBondContact O-N 2.87Å; L333-I346 HydrophobicContact CB-CD1 3.88Å; L333-I346 HydrophobicContact CB-CG1 4.1Å; L333-I346 HydrophobicContact CD1-CD1 4.48Å; L333-I346 HydrophobicContact CD2-CD1 4.15Å; L333-I346 HydrophobicContact CG-CD1 4.41Å; I346-V348 HydrophobicContact CB-CG2 4.25Å; I346-V348 HydrophobicContact CG2-CG2 3.29Å; I346-V348 PolarHBondContact O-N 2.82Å; I346-V348 VanDerWaalsContact O-N 3.08Å; I346-L399 HydrophobicContact CG2-CD2 3.91Å; I346-L399 HydrophobicContact CG2-CG 4.28Å
347	H	56.8	Low	52.2	Low	95 Å²	95	70.4 Å²	70.4	44%	0.44	37%	0.366	S	S	.	.			trans	-79.2	87.4	169.9	-68.2	-56.7	0	0	0	109.8	E345 S349	E345-H347 VanDerWaalsContact CD-CE1 3.48Å; E345-H347 IonicContact OE1-CE1 3.43Å; E345-H347 PolarHBondContact OE1-CE1 2.88Å; E345-H347 IonicContact OE1-ND1 3.53Å; E345-H347 IonicContact OE1-NE2 3.85Å; E345-H347 IonicContact OE2-NE2 2.77Å; H347-S349 PolarHBondContact O-N 2.81Å
348	V	51.4	Low	49.8	Very low	21 Å²	21	75.5 Å²	75.5	13%	0.127	40%	0.403	C	S	.	.			trans	-90.4	98.4	174.8	-173.4	0	0	0	0	110	Q289 I291 I346 L350	Q289-V348 HydrophobicContact CB-CG1 4.27Å; Q289-V348 HydrophobicContact CG-CG1 4.2Å; Q289-V348 VanDerWaalsContact OE1-CB 3.29Å; Q289-V348 VanDerWaalsContact OE1-CG2 3.28Å; I291-V348 HydrophobicContact CD1-CG1 3.56Å; I291-V348 HydrophobicContact CD1-CG2 4.17Å; I346-V348 HydrophobicContact CB-CG2 4.25Å; I346-V348 HydrophobicContact CG2-CG2 3.29Å; I346-V348 PolarHBondContact O-N 2.82Å; I346-V348 VanDerWaalsContact O-N 3.08Å; V348-L350 HydrophobicContact CG1-CB 3.7Å; V348-L350 HydrophobicContact CG1-CD1 4.11Å; V348-L350 HydrophobicContact CG1-CG 4.41Å; V348-L350 PolarHBondContact O-N 2.84Å
349	S	44.4	Very low	47.8	Very low	107 Å²	107	76.7 Å²	76.7	75%	0.748	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	20.5	172.9	55.4	0	0	0	0	114	H347 L398	H347-S349 PolarHBondContact O-N 2.81Å; S349-L398 WeakPolarHBondContact OG-CD2 3.44Å
350	L	37.1	Very low	45.8	Very low	31 Å²	31	81.6 Å²	81.6	16%	0.162	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-8.3	-173.2	-90.3	150.9	0	0	0	115.9	I291 V348 F354 L398	I291-L350 HydrophobicContact CD1-CD1 3.69Å; I291-L350 HydrophobicContact CG1-CD1 4.3Å; V348-L350 HydrophobicContact CG1-CB 3.7Å; V348-L350 HydrophobicContact CG1-CD1 4.11Å; V348-L350 HydrophobicContact CG1-CG 4.41Å; V348-L350 PolarHBondContact O-N 2.84Å; L350-F354 HydrophobicContact CD2-CE2 4.26Å; L350-L398 HydrophobicContact CD1-CB 4.4Å; L350-L398 HydrophobicContact CD1-CD1 3.74Å; L350-L398 HydrophobicContact CD1-CD2 3.68Å; L350-L398 HydrophobicContact CD1-CG 4.13Å; L350-L398 HydrophobicContact CD2-CD1 4.19Å; L350-L398 HydrophobicContact CG-CD1 3.95Å; L350-L398 HydrophobicContact CG-CD2 3.64Å; L350-L398 HydrophobicContact CG-CG 4.38Å
351	G	32.4	Very low	43.6	Very low	60 Å²	60	87.6 Å²	87.6	62%	0.619	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-1.3	-161.5	0	0	0	0	0	119.9
352	R	28.7	Very low	41.5	Very low	249 Å²	249	93.4 Å²	93.4	94%	0.94	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.8	3.8	-172.4	-80.6	-168.5	-178.5	-173.4	2	118.3
353	R	28.2	Very low	39.2	Very low	177 Å²	177	100 Å²	100	67%	0.668	56%	0.558	S	S	*	*	S	Bend	trans	-125.7	10.8	-170.7	-84.5	-174.4	176.1	169	0.1	117.3
354	F	28.5	Very low	36.9	Very low	96 Å²	96	106.5 Å²	106.5	42%	0.421	59%	0.587	S	S	.	*			trans	-98	9	-179.7	-89.8	-69.2	0	0	0	115.8	L350 L356 R367	L350-F354 HydrophobicContact CD2-CE2 4.26Å; F354-L356 VanDerWaalsContact C-N 3.34Å; F354-L356 PolarHBondContact O-N 2.67Å; F354-L356 VanDerWaalsContact O-N 3.09Å; F354-R367 VanDerWaalsContact CZ-CZ 3.46Å; F354-R367 VanDerWaalsContact CZ-NH2 3.28Å
355	Q	27	Very low	34.8	Very low	195 Å²	195	110.1 Å²	110.1	91%	0.911	61%	0.613	S	S	*	*			trans	-80.3	81	165.6	-77.3	-172.9	-15.6	0	0	110.2	G357	Q355-G357 PolarHBondContact O-N 3.15Å; Q355-G357 VanDerWaalsContact O-N 3.11Å
356	L	26.7	Very low	33	Very low	160 Å²	160	107.8 Å²	107.8	84%	0.838	60%	0.602	S	S	*	*			trans	-79.2	79.7	159.6	-95.1	132.6	0	0	0	107.8	F354	F354-L356 VanDerWaalsContact C-N 3.34Å; F354-L356 PolarHBondContact O-N 2.67Å; F354-L356 VanDerWaalsContact O-N 3.09Å
357	G	26.5	Very low	31.6	Very low	52 Å²	52	112.4 Å²	112.4	54%	0.536	62%	0.619	S	S	.	*			trans	-131.8	111.7	173.3	0	0	0	0	0	109.4	Q355	Q355-G357 PolarHBondContact O-N 3.15Å; Q355-G357 VanDerWaalsContact O-N 3.11Å
358	S	25.6	Very low	30.4	Very low	122 Å²	122	109.3 Å²	109.3	85%	0.853	61%	0.607	S	S	*	*	S	Bend	trans	45.5	81.3	160.4	64.5	0	0	0	0	117.7
359	S	28	Very low	29.4	Very low	114 Å²	114	108.8 Å²	108.8	80%	0.797	60%	0.604	S	S	*	*			trans	-170.3	139.6	138.2	46.2	0	0	0	0	109.8	D361	S359-D361 VanDerWaalsContact C-N 3.31Å; S359-D361 PolarHBondContact O-N 2.64Å
360	S	26.3	Very low	28.8	Very low	114 Å²	114	107.1 Å²	107.1	80%	0.797	59%	0.592	S	S	*	*	S	Bend	trans	-83.9	20.7	-161.4	49.3	0	0	0	0	115.7
361	D	24.8	Very low	28.5	Very low	134 Å²	134	107.1 Å²	107.1	72%	0.717	60%	0.595	S	S	*	*			trans	-138.9	142.7	-175.9	-69.5	-55.1	0	0	0	110.3	S359	S359-D361 VanDerWaalsContact C-N 3.31Å; S359-D361 PolarHBondContact O-N 2.64Å
362	V	28.1	Very low	28.6	Very low	133 Å²	133	108.8 Å²	108.8	81%	0.806	59%	0.589	S	S	*	*			trans	98.4	66.7	-175.5	-163.2	0	0	0	0	114.7
363	V	26.1	Very low	28.8	Very low	139 Å²	139	99.7 Å²	99.7	84%	0.842	56%	0.556	S	S	*	*			trans	-88.2	97	159.1	176.1	0	0	0	0	107.5
364	E	25.1	Very low	29	Very low	149 Å²	149	95 Å²	95	70%	0.696	54%	0.544	S	S	*	.			trans	-167.7	0.5	161.8	-115.7	172.2	-160.5	0	0	118
365	S	27	Very low	29.3	Very low	80 Å²	80	93 Å²	93	56%	0.559	54%	0.542	S	S	*	.			trans	-100.9	94.5	179.4	68.1	0	0	0	0	113.1
366	Q	30.3	Very low	29.4	Very low	32 Å²	32	89.8 Å²	89.8	15%	0.15	53%	0.53	C	S	.	.			trans	-104.6	121	177.7	-88.5	-131.2	-44	0	0	113.3	F152 R153	F152-Q366 HydrophobicContact CD1-CG 4.21Å; F152-Q366 HydrophobicContact CE1-CG 3.66Å; F152-Q366 VanDerWaalsContact CZ-CD 3.45Å; F152-Q366 HydrophobicContact CZ-CG 3.99Å; R153-Q366 VanDerWaalsContact NE-OE1 3.13Å
367	R	35.3	Very low	29.4	Very low	100 Å²	100	84.6 Å²	84.6	38%	0.377	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-78.2	124.4	174.2	-60.8	-179.7	-169.1	-172.3	6.7	110.4	F354	F354-R367 VanDerWaalsContact CZ-CZ 3.46Å; F354-R367 VanDerWaalsContact CZ-NH2 3.28Å
368	T	30	Very low	29.4	Very low	30 Å²	30	89.3 Å²	89.3	18%	0.184	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-77.5	133.9	163.1	49	0	0	0	0	108.5	P47 Y149 S370	P47-T368 HydrophobicContact CB-CG2 3.91Å; Y149-T368 HydrophobicContact CD2-CG2 4.06Å; Y149-T368 HydrophobicContact CE2-CG2 3.64Å; T368-S370 PolarHBondContact O-N 3.47Å; T368-S370 VanDerWaalsContact O-N 3.17Å
369	P	30.9	Very low	29.5	Very low	11 Å²	11	84.8 Å²	84.8	7%	0.071	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-57.2	125.3	166.6	17.8	-20.7	0	0	0	107.7	F146	F146-P369 HydrophobicContact CD1-CG 3.97Å; F146-P369 HydrophobicContact CE1-CG 3.8Å
370	S	33.2	Very low	29.5	Very low	71 Å²	71	86.7 Å²	86.7	50%	0.497	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-53.2	130	172.4	-54.5	0	0	0	0	108	T368	T368-S370 PolarHBondContact O-N 3.47Å; T368-S370 VanDerWaalsContact O-N 3.17Å
371	P	29.6	Very low	29.5	Very low	32 Å²	32	83.8 Å²	83.8	21%	0.208	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-64.7	161.4	161.3	31.3	-29.7	0	0	0	107.3	G49 V50 F146	G49-P371 WeakPolarHBondContact O-CG 3.48Å; V50-P371 HydrophobicContact CB-CB 4.47Å; V50-P371 HydrophobicContact CB-CG 4.46Å; V50-P371 HydrophobicContact CG1-CB 4.49Å; V50-P371 HydrophobicContact CG2-CB 4.02Å; V50-P371 HydrophobicContact CG2-CG 3.85Å; F146-P371 HydrophobicContact CZ-CB 4.4Å
372	L	34.7	Very low	29.6	Very low	95 Å²	95	87.6 Å²	87.6	50%	0.497	48%	0.475	S	S	.	.			trans	93.4	80.1	174.7	-46.2	164.9	0	0	0	113.8
373	F	32.5	Very low	29.3	Very low	58 Å²	58	90.4 Å²	90.4	25%	0.254	47%	0.471	S	S	.	.				-178.6	102.1	109.4	-88.2	-65.9	0	0	0	107.2	Q311 R314 A379	Q311-F373 HydrophobicContact CG-CD2 4.46Å; R314-F373 HydrophobicContact CB-CE1 4.42Å; R314-F373 HydrophobicContact CB-CE2 3.73Å; R314-F373 HydrophobicContact CB-CZ 3.6Å; R314-F373 HydrophobicContact CG-CZ 4.45Å; F373-A379 WeakPolarHBondContact CE1-O 3.24Å; F373-A379 WeakPolarHBondContact CZ-O 3.33Å
374	N	32.6	Very low	29.4	Very low	77 Å²	77	88.5 Å²	88.5	41%	0.412	46%	0.463	S	S	.	.			trans	-57	144.2	162.4	-95.8	-8.4	0	0	0	108.1	L376	N374-L376 CarbonylContact O-C 3.45Å; N374-L376 VanDerWaalsContact O-C 3.31Å; N374-L376 PolarHBondContact O-N 2.84Å
375	C	34.5	Very low	29.4	Very low	56 Å²	56	86.6 Å²	86.6	38%	0.378	46%	0.458	S	S	.	.	S	Bend	trans	-64.4	-1.8	174.8	-54.7	0	0	0	0	112.9	K278	K278-C375 PolarHBondContact NZ-O 3.36Å
376	L	29	Very low	29.5	Very low	127 Å²	127	88.9 Å²	88.9	67%	0.665	46%	0.463	S	S	*	.	S	Bend	trans	-90.5	97.4	158.4	-59.1	163.6	0	0	0	106.6	N374	N374-L376 CarbonylContact O-C 3.45Å; N374-L376 VanDerWaalsContact O-C 3.31Å; N374-L376 PolarHBondContact O-N 2.84Å
377	G	27.9	Very low	29.4	Very low	50 Å²	50	92.2 Å²	92.2	52%	0.515	48%	0.481	S	S	.	.	S	Bend		64.1	96.4	102	0	0	0	0	0	110.1
378	E	26.3	Very low	29.1	Very low	151 Å²	151	91.7 Å²	91.7	71%	0.706	49%	0.486	S	S	*	.			trans	79.7	106.1	163.8	-55.2	171.9	-177.5	0	0	118
379	A	28.1	Very low	29	Very low	27 Å²	27	95 Å²	95	22%	0.223	50%	0.503	C	S	.	.			trans	-171.5	134.4	146.4	0	0	0	0	0	110.8	F373	F373-A379 WeakPolarHBondContact CE1-O 3.24Å; F373-A379 WeakPolarHBondContact CZ-O 3.33Å
380	F	26.6	Very low	29	Very low	154 Å²	154	95.6 Å²	95.6	68%	0.675	51%	0.507	S	S	*	.			trans	-79	137	-169.7	-68.3	-101	0	0	0	113.6
381	A	26.2	Very low	29	Very low	54 Å²	54	97.4 Å²	97.4	45%	0.446	51%	0.511	S	S	.	.			trans	-79.4	129.8	170.1	0	0	0	0	0	110.7
382	W	26.8	Very low	29.3	Very low	213 Å²	213	99.3 Å²	99.3	81%	0.807	52%	0.519	S	S	*	.			trans	-105.7	140.1	172.7	-84.6	79.7	0	0	0	110.9
383	R	23.7	Very low	29.4	Very low	192 Å²	192	96 Å²	96	73%	0.725	50%	0.502	S	S	*	.			trans	-54	133.2	171.4	-94.3	176.3	169.3	156.2	-2.9	111.3
384	C	26.6	Very low	29.3	Very low	100 Å²	100	98.7 Å²	98.7	68%	0.676	52%	0.524	S	S	*	.			trans	-139	127.4	151.9	-83.8	0	0	0	0	108
385	D	26.4	Very low	29.2	Very low	109 Å²	109	96.4 Å²	96.4	58%	0.583	52%	0.515	S	S	*	.			trans	-81	155	179	-60.2	-50.7	0	0	0	111.6
386	L	27.6	Very low	29.1	Very low	128 Å²	128	97.2 Å²	97.2	67%	0.67	52%	0.516	S	S	*	.			trans	101.1	100.3	150.8	-58.8	152.7	0	0	0	120.2
387	N	28.7	Very low	29.2	Very low	101 Å²	101	94.3 Å²	94.3	54%	0.54	51%	0.505	S	S	.	.				51.5	110.7	118	-65	-20.4	0	0	0	122.6
388	D	28.9	Very low	29.6	Very low	90 Å²	90	94.7 Å²	94.7	48%	0.481	50%	0.495	S	S	.	.			trans	64.1	127	139	-76.9	-23.4	0	0	0	124.7	M1 T4	M1-D388 PolarHBondContact N-OD2 2.89Å; T4-D388 WeakPolarHBondContact CG2-O 3.39Å
389	D	28	Very low	29.9	Very low	98 Å²	98	87.9 Å²	87.9	52%	0.524	46%	0.463	S	S	.	.			trans	68.3	83	134.2	-65.5	-20.3	0	0	0	120.4	H3 T4	H3-D389 IonicContact CE1-OD2 3.7Å; T4-D389 WeakPolarHBondContact CB-O 3.45Å; T4-D389 PolarHBondContact OG1-O 3.2Å
390	S	31.6	Very low	30.3	Very low	24 Å²	24	88.7 Å²	88.7	17%	0.168	47%	0.467	C	S	.	.			trans	-145.3	146.2	134.5	29.7	0	0	0	0	110.5	T4 D392 N393	T4-S390 WeakPolarHBondContact OG1-CB 3.36Å; T4-S390 PolarHBondContact OG1-OG 3.15Å; S390-D392 PolarHBondContact O-N 3.45Å; S390-N393 WeakPolarHBondContact O-CB 3.35Å; S390-N393 PolarHBondContact O-N 2.94Å; S390-N393 PolarHBondContact OG-ND2 2.84Å
391	L	33.6	Very low	31	Very low	109 Å²	109	84.9 Å²	84.9	57%	0.571	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-4.2	-168	-92.1	87.1	0	0	0	116.8
392	D	35.7	Very low	31.5	Very low	72 Å²	72	83.1 Å²	83.1	39%	0.385	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	4.2	172.8	-94.1	-30.6	0	0	0	113.1	R115 R153 S390	R115-D392 IonicContact NH2-OD2 3.5Å; R153-D392 IonicContact NH1-OD1 3.03Å; R153-D392 IonicContact NH2-OD1 3.39Å; S390-D392 PolarHBondContact O-N 3.45Å
393	N	35.3	Very low	32	Very low	26 Å²	26	73.8 Å²	73.8	14%	0.139	41%	0.405	C	S	.	.			trans	-127.1	20.2	-160.8	-81.4	-44.9	0	0	0	116.9	L48 R104 S390 A395	L48-N393 WeakPolarHBondContact CD1-OD1 3.36Å; R104-N393 PolarHBondContact NE-OD1 3.22Å; R104-N393 VanDerWaalsContact NE-OD1 3.17Å; S390-N393 WeakPolarHBondContact O-CB 3.35Å; S390-N393 PolarHBondContact O-N 2.94Å; S390-N393 PolarHBondContact OG-ND2 2.84Å; N393-A395 PolarHBondContact O-N 2.8Å
394	T	31.6	Very low	33	Very low	115 Å²	115	69.3 Å²	69.3	71%	0.706	39%	0.393	S	S	*	.			trans	-80.8	40.6	168.9	64.3	0	0	0	0	112.4
395	A	30.9	Very low	34.1	Very low	28 Å²	28	72 Å²	72	23%	0.231	39%	0.393	C	S	.	.			trans	-107	60.8	168.3	0	0	0	0	0	108.2	N393	N393-A395 PolarHBondContact O-N 2.8Å
396	D	31.6	Very low	35.2	Very low	73 Å²	73	69.6 Å²	69.6	39%	0.39	38%	0.378	S	S	.	.	S	Bend	trans	-117.7	144.2	154	-79.4	-44.5	0	0	0	105.2	R104 L398	R104-D396 IonicContact NH2-OD2 2.89Å; D396-L398 PolarHBondContact O-N 2.87Å
397	P	31.7	Very low	36.2	Very low	67 Å²	67	66.2 Å²	66.2	44%	0.435	36%	0.363	S	S	.	.			trans	-58.2	135.4	-170.8	27.5	-32.9	0	0	0	107.8	L399 S400	P397-L399 CarbonylContact O-C 3.55Å; P397-L399 PolarHBondContact O-N 2.81Å; P397-S400 PolarHBondContact O-N 3.33Å
398	L	35	Very low	37	Very low	58 Å²	58	62 Å²	62	30%	0.304	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	29.2	175.2	-88.8	151.7	0	0	0	113.8	S349 L350 D396	S349-L398 WeakPolarHBondContact OG-CD2 3.44Å; L350-L398 HydrophobicContact CD1-CB 4.4Å; L350-L398 HydrophobicContact CD1-CD1 3.74Å; L350-L398 HydrophobicContact CD1-CD2 3.68Å; L350-L398 HydrophobicContact CD1-CG 4.13Å; L350-L398 HydrophobicContact CD2-CD1 4.19Å; L350-L398 HydrophobicContact CG-CD1 3.95Å; L350-L398 HydrophobicContact CG-CD2 3.64Å; L350-L398 HydrophobicContact CG-CG 4.38Å; D396-L398 PolarHBondContact O-N 2.87Å
399	L	33.9	Very low	37.8	Very low	7 Å²	7	63 Å²	63	4%	0.037	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-155.9	55.8	164.5	-81	111	0	0	0	110	V303 Y313 I346 P397 I401 I402	V303-L399 HydrophobicContact CB-CD1 3.76Å; V303-L399 HydrophobicContact CG1-CD1 3.87Å; V303-L399 HydrophobicContact CG2-CD1 3.43Å; V303-L399 VanDerWaalsContact CG2-CD1 3.43Å; V303-L399 HydrophobicContact CG2-CD2 3.97Å; V303-L399 HydrophobicContact CG2-CG 4.38Å; Y313-L399 HydrophobicContact CD1-CB 4.24Å; Y313-L399 HydrophobicContact CD1-CD1 4.29Å; Y313-L399 HydrophobicContact CD1-CD2 4.18Å; Y313-L399 HydrophobicContact CD1-CG 4.49Å; Y313-L399 HydrophobicContact CD2-CB 3.84Å; Y313-L399 HydrophobicContact CE1-CB 4.43Å; Y313-L399 HydrophobicContact CE1-CD2 4.42Å; Y313-L399 HydrophobicContact CE2-CB 4.05Å; Y313-L399 HydrophobicContact CG-CB 3.94Å; Y313-L399 HydrophobicContact CG-CD1 3.96Å; Y313-L399 HydrophobicContact CG-CG 4.38Å; I346-L399 HydrophobicContact CG2-CD2 3.91Å; I346-L399 HydrophobicContact CG2-CG 4.28Å; P397-L399 CarbonylContact O-C 3.55Å; P397-L399 PolarHBondContact O-N 2.81Å; L399-I401 PolarHBondContact O-N 3.32Å; L399-I401 VanDerWaalsContact O-N 3.1Å; L399-I402 HydrophobicContact CD2-CD1 3.52Å; L399-I402 HydrophobicContact CD2-CG1 3.87Å
400	S	35.5	Very low	38.5	Very low	44 Å²	44	59.3 Å²	59.3	31%	0.308	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	105	163.4	62.5	0	0	0	0	108	P397	P397-S400 PolarHBondContact O-N 3.33Å
401	I	41.3	Very low	39.2	Very low	75 Å²	75	67.3 Å²	67.3	39%	0.385	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	71.6	175.9	-42.8	159.1	0	0	0	113	L399 G403	L399-I401 PolarHBondContact O-N 3.32Å; L399-I401 VanDerWaalsContact O-N 3.1Å; I401-G403 VanDerWaalsContact CG2-N 3.32Å; I401-G403 PolarHBondContact O-N 3.2Å
402	I	37.7	Very low	40.1	Very low	17 Å²	17	63 Å²	63	9%	0.087	34%	0.342	C	S	.	.				-58.6	96.8	126.4	-83.3	163.9	0	0	0	105.9	L301 Y313 F344 L399	L301-I402 HydrophobicContact CD2-CD1 3.55Å; L301-I402 HydrophobicContact CG-CD1 4.46Å; Y313-I402 HydrophobicContact CD1-CD1 4.29Å; Y313-I402 HydrophobicContact CE1-CD1 3.63Å; F344-I402 HydrophobicContact CB-CG1 4.36Å; F344-I402 HydrophobicContact CB-CG2 4.47Å; F344-I402 HydrophobicContact CD1-CB 3.97Å; F344-I402 HydrophobicContact CD1-CD1 3.95Å; F344-I402 HydrophobicContact CD1-CG1 3.8Å; F344-I402 HydrophobicContact CD1-CG2 3Å; F344-I402 HydrophobicContact CE1-CG2 3.29Å; F344-I402 HydrophobicContact CG-CG2 4.04Å; L399-I402 HydrophobicContact CD2-CD1 3.52Å; L399-I402 HydrophobicContact CD2-CG1 3.87Å
403	G	36	Very low	41	Very low	16 Å²	16	65.7 Å²	65.7	17%	0.165	37%	0.366	C	S	.	.			trans	-88.5	115.6	164.9	0	0	0	0	0	106.1	I401 F405	I401-G403 VanDerWaalsContact CG2-N 3.32Å; I401-G403 PolarHBondContact O-N 3.2Å; G403-F405 PolarHBondContact O-N 2.65Å
404	E	46	Very low	42.2	Very low	99 Å²	99	65 Å²	65	46%	0.463	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	97.4	160.8	-175.8	174.8	-164	0	0	106.3	A342 V407	A342-E404 HydrophobicContact CB-CG 4.44Å; E404-V407 HydrophobicContact CG-CG2 4.33Å; E404-V407 WeakPolarHBondContact OE1-CG2 3.38Å
405	F	49	Very low	43.8	Very low	156 Å²	156	63.6 Å²	63.6	68%	0.684	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	-37.2	-170	-173.2	-98.5	0	0	0	111.1	V343 G403	V343-F405 PolarHBondContact O-N 3.03Å; G403-F405 PolarHBondContact O-N 2.65Å
406	Q	48.8	Very low	45.9	Very low	58 Å²	58	62.3 Å²	62.3	27%	0.271	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	126.6	-176.6	-140.5	163.2	-8.4	0	0	110.5	L442 V443	Q406-L442 PolarHBondContact OE1-O 3.45Å; Q406-V443 PolarHBondContact OE1-O 2.71Å
407	V	49.5	Very low	48	Very low	58 Å²	58	61.1 Å²	61.1	35%	0.352	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	114	162.6	-178.5	0	0	0	0	106.2	C340 E404 D409	C340-V407 HydrophobicContact CB-CG1 3.84Å; E404-V407 HydrophobicContact CG-CG2 4.33Å; E404-V407 WeakPolarHBondContact OE1-CG2 3.38Å; V407-D409 WeakPolarHBondContact CG1-OD1 2.7Å; V407-D409 PolarHBondContact O-N 2.75Å
408	C	45.1	Very low	50.3	Low	13 Å²	13	58.4 Å²	58.4	9%	0.088	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	89.8	161.2	-80.8	0	0	0	0	107.6	V341 A410 G445	V341-C408 PolarHBondContact O-N 3.25Å; C408-A410 PolarHBondContact O-N 3.26Å; C408-G445 WeakPolarHBondContact SG-CA 3.29Å; C408-G445 PolarHBondContact SG-O 3.05Å; C408-G445 VanDerWaalsContact SG-O 3.41Å
409	D	46.8	Very low	52.7	Low	110 Å²	110	55.9 Å²	55.9	59%	0.588	31%	0.305	S	S	*	.			trans	-72.2	54.1	154.7	-80.1	-15.4	0	0	0	108.2	C340 V407 H411	C340-D409 PolarHBondContact SG-OD1 2.84Å; V407-D409 WeakPolarHBondContact CG1-OD1 2.7Å; V407-D409 PolarHBondContact O-N 2.75Å; D409-H411 PolarHBondContact O-N 3.08Å
410	A	42	Very low	55.2	Low	21 Å²	21	56.5 Å²	56.5	17%	0.174	31%	0.309	C	S	.	.			trans	-59.4	123.8	148	0	0	0	0	0	103.1	C408 I412 V447	C408-A410 PolarHBondContact O-N 3.26Å; A410-I412 HydrophobicContact CB-CD1 4.3Å; A410-I412 HydrophobicContact CB-CG1 3.91Å; A410-I412 WeakPolarHBondContact O-CG1 3.5Å; A410-I412 PolarHBondContact O-N 3.06Å; A410-V447 HydrophobicContact CB-CG2 3.68Å
411	H	45.3	Very low	57.5	Low	192 Å²	192	54.9 Å²	54.9	89%	0.889	30%	0.296	S	S	*	.			trans	-63.3	66	177.2	-70.5	-74.9	0	0	0	110.7	D409 S413	D409-H411 PolarHBondContact O-N 3.08Å; H411-S413 VanDerWaalsContact C-N 3.32Å; H411-S413 PolarHBondContact O-N 2.89Å
412	I	53.3	Low	59.6	Low	19 Å²	19	52 Å²	52	10%	0.097	28%	0.282	C	S	.	.			trans	-78	93.6	173.2	-48.8	172.6	0	0	0	103	G339 A410 S414 V416 L438	G339-I412 VanDerWaalsContact CA-O 3.26Å; G339-I412 WeakPolarHBondContact CA-O 3.45Å; A410-I412 HydrophobicContact CB-CD1 4.3Å; A410-I412 HydrophobicContact CB-CG1 3.91Å; A410-I412 WeakPolarHBondContact O-CG1 3.5Å; A410-I412 PolarHBondContact O-N 3.06Å; I412-S414 VanDerWaalsContact CG2-O 3.24Å; I412-S414 WeakPolarHBondContact CG2-O 3.3Å; I412-S414 PolarHBondContact O-N 2.8Å; I412-V416 HydrophobicContact CD1-CG2 3.96Å; I412-V416 HydrophobicContact CG2-CG2 4.41Å; I412-L438 HydrophobicContact CD1-CD1 3.57Å; I412-L438 HydrophobicContact CG1-CD1 3.57Å; I412-L438 HydrophobicContact CG2-CD1 4.35Å
413	S	54	Low	61.6	Low	127 Å²	127	57.9 Å²	57.9	89%	0.888	30%	0.303	S	S	*	.			trans	-67.5	17.7	176.1	61.5	0	0	0	0	112.9	H411	H411-S413 VanDerWaalsContact C-N 3.32Å; H411-S413 PolarHBondContact O-N 2.89Å
414	S	61	Low	63.4	Low	13 Å²	13	61.8 Å²	61.8	9%	0.091	32%	0.32	C	S	.	.	S	Bend	trans	-144.7	148.5	-161.4	144.2	0	0	0	0	109.4	I412 V416 S432 S433 D434	I412-S414 VanDerWaalsContact CG2-O 3.24Å; I412-S414 WeakPolarHBondContact CG2-O 3.3Å; I412-S414 PolarHBondContact O-N 2.8Å; S414-V416 PolarHBondContact O-N 2.79Å; S414-S432 PolarHBondContact OG-OG 3Å; S414-S433 WeakPolarHBondContact CB-OG 3.43Å; S414-S433 PolarHBondContact OG-N 2.78Å; S414-S433 PolarHBondContact OG-OG 3.1Å; S414-D434 PolarHBondContact OG-N 3.15Å
415	I	66.2	Low	64.8	Low	84 Å²	84	57.1 Å²	57.1	43%	0.431	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-68.3	127.6	-176	-58.4	173.1	0	0	0	108.8	T322 T417 S433	T322-I415 HydrophobicContact CG2-CG2 4.11Å; I415-T417 PolarHBondContact O-N 3.44Å; I415-S433 PolarHBondContact N-OG 3.15Å; I415-S433 VanDerWaalsContact N-OG 3.07Å; I415-S433 PolarHBondContact O-N 2.88Å
416	V	74.3	Confident	66.3	Low	1 Å²	1	52.9 Å²	52.9	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	114.9	170.6	178.7	0	0	0	0	108	T322 V341 I412 S414 C430 C431	T322-V416 VanDerWaalsContact CB-O 3.29Å; T322-V416 WeakPolarHBondContact CB-O 3.41Å; T322-V416 PolarHBondContact OG1-O 2.94Å; V341-V416 HydrophobicContact CG2-CG1 4.43Å; V341-V416 HydrophobicContact CG2-CG2 4.38Å; I412-V416 HydrophobicContact CD1-CG2 3.96Å; I412-V416 HydrophobicContact CG2-CG2 4.41Å; S414-V416 PolarHBondContact O-N 2.79Å; V416-C430 HydrophobicContact CG1-CB 4.23Å; V416-C431 CarbonylContact C-O 3.58Å; V416-C431 VanDerWaalsContact CA-O 3.26Å; V416-C431 WeakPolarHBondContact CA-O 3.45Å; V416-C431 WeakPolarHBondContact CG1-O 3.26Å
417	T	75.2	Confident	68	Low	49 Å²	49	51.7 Å²	51.7	30%	0.301	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-35.3	-175.1	50.2	0	0	0	0	112.4	I415 C431 V458	I415-T417 PolarHBondContact O-N 3.44Å; T417-C431 PolarHBondContact N-O 3.19Å; T417-C431 WeakPolarHBondContact OG1-CB 3.29Å; T417-C431 PolarHBondContact OG1-O 2.87Å; T417-V458 WeakPolarHBondContact CB-O 2.89Å; T417-V458 PolarHBondContact OG1-O 3.26Å
418	C	80.4	Confident	69.7	Low	10 Å²	10	48.9 Å²	48.9	7%	0.068	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	149.2	-178.8	-173.7	0	0	0	0	110.1	C431	C418-C431 HydrophobicContact CB-CB 4.07Å; C418-C431 PolarHBondContact O-N 3.09Å
419	C	84.6	Confident	71.7	Confident	5 Å²	5	48.3 Å²	48.3	3%	0.034	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148	170.1	59.4	0	0	0	0	110.8	S323 C325 A429	S323-C419 PolarHBondContact OG-N 3.4Å; S323-C419 PolarHBondContact OG-SG 2.81Å; C325-C419 WeakPolarHBondContact CB-O 3.44Å; C419-A429 CarbonylContact C-O 3.58Å; C419-A429 VanDerWaalsContact CA-O 3.23Å; C419-A429 WeakPolarHBondContact CA-O 3.37Å
420	T	86.3	Confident	73.6	Confident	20 Å²	20	43.2 Å²	43.2	12%	0.123	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	153.8	176	-172.4	0	0	0	0	111.3	A428 A429 C461 F463	T420-A428 CarbonylContact O-C 3.47Å; T420-A428 VanDerWaalsContact O-CA 3.25Å; T420-A428 WeakPolarHBondContact O-CA 3.25Å; T420-A429 HydrophobicContact CG2-CB 3.83Å; T420-A429 PolarHBondContact N-O 3.05Å; T420-A429 PolarHBondContact O-N 3.3Å; T420-C461 VanDerWaalsContact CG2-SG 3.52Å; T420-F463 HydrophobicContact CG2-CD2 3.67Å; T420-F463 HydrophobicContact CG2-CE2 3.81Å
421	F	85.1	Confident	75.8	Confident	9 Å²	9	42.2 Å²	42.2	4%	0.039	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	149.4	179.7	-81.5	-78.5	0	0	0	112.1	K332 L334 L442 F463	K332-F421 HydrophobicContact CB-CE1 4.4Å; K332-F421 HydrophobicContact CB-CZ 3.84Å; L334-F421 HydrophobicContact CB-CE2 3.96Å; L334-F421 HydrophobicContact CB-CZ 4.28Å; L334-F421 HydrophobicContact CD1-CD1 3.75Å; L334-F421 HydrophobicContact CD1-CD2 3.46Å; L334-F421 VanDerWaalsContact CD1-CD2 3.46Å; L334-F421 HydrophobicContact CD1-CE1 3.65Å; L334-F421 HydrophobicContact CD1-CE2 3.3Å; L334-F421 HydrophobicContact CD1-CG 3.71Å; L334-F421 HydrophobicContact CD1-CZ 3.43Å; L334-F421 VanDerWaalsContact CD1-CZ 3.43Å; L334-F421 HydrophobicContact CD2-CE1 4.45Å; L334-F421 HydrophobicContact CD2-CZ 4.13Å; L334-F421 HydrophobicContact CG-CD1 4.47Å; L334-F421 HydrophobicContact CG-CD2 4.05Å; L334-F421 HydrophobicContact CG-CE1 3.87Å; L334-F421 HydrophobicContact CG-CE2 3.34Å; L334-F421 HydrophobicContact CG-CZ 3.27Å; F421-L442 HydrophobicContact CD1-CD1 3.66Å; F421-L442 HydrophobicContact CE1-CD1 3.2Å; F421-L442 HydrophobicContact CZ-CD1 4.24Å; F421-F463 WeakPolarHBondContact O-CD2 3.41Å
422	D	85	Confident	77.6	Confident	14 Å²	14	33.1 Å²	33.1	8%	0.075	18%	0.181	C	C	.	.			trans	-65.8	167.4	156.9	75.1	-32.9	0	0	0	111.1	N424 G425 N426 V427	D422-N424 PolarHBondContact O-N 3.4Å; D422-G425 PolarHBondContact O-N 2.89Å; D422-G425 VanDerWaalsContact O-N 3.15Å; D422-G425 VanDerWaalsContact OD1-CA 3.27Å; D422-G425 WeakPolarHBondContact OD1-CA 3.33Å; D422-G425 PolarHBondContact OD1-N 3.28Å; D422-N426 PolarHBondContact OD1-N 3.18Å; D422-V427 HydrophobicContact CB-CB 4.19Å; D422-V427 PolarHBondContact N-O 3.43Å; D422-V427 PolarHBondContact OD1-N 2.94Å
423	R	79.5	Confident	79.1	Confident	141 Å²	141	34.3 Å²	34.3	53%	0.532	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-35.3	179.1	-175.7	179.4	172.1	177.4	-0.9	113.1	D467	R423-D467 WeakPolarHBondContact CB-OD2 3.34Å; R423-D467 PolarHBondContact N-OD1 2.78Å; R423-D467 PolarHBondContact N-OD2 3.09Å
424	N	73.3	Confident	80.6	Confident	99 Å²	99	31.2 Å²	31.2	53%	0.529	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-14.8	-176.4	-63.5	-42.5	0	0	0	113.5	D422 N426	D422-N424 PolarHBondContact O-N 3.4Å; N424-N426 VanDerWaalsContact C-N 3.35Å
425	G	76.9	Confident	81.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	72.3	27.6	-176.1	0	0	0	0	0	113.7	K332 D422	K332-G425 PolarHBondContact NZ-O 3.16Å; D422-G425 PolarHBondContact O-N 2.89Å; D422-G425 VanDerWaalsContact O-N 3.15Å; D422-G425 VanDerWaalsContact OD1-CA 3.27Å; D422-G425 WeakPolarHBondContact OD1-CA 3.33Å; D422-G425 PolarHBondContact OD1-N 3.28Å
426	N	79.7	Confident	83	Confident	68 Å²	68	28.2 Å²	28.2	36%	0.364	15%	0.151	S	C	.	.	S	Bend	trans	-106.7	-28.5	179.8	-68.6	-24.4	0	0	0	112.2	D422 N424 L442	D422-N426 PolarHBondContact OD1-N 3.18Å; N424-N426 VanDerWaalsContact C-N 3.35Å; N426-L442 WeakPolarHBondContact O-CB 3.47Å; N426-L442 PolarHBondContact O-N 3.08Å
427	V	84.6	Confident	83.7	Confident	32 Å²	32	28.2 Å²	28.2	19%	0.194	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.9	179.5	-178.4	0	0	0	0	109.3	D422 C440 L448	D422-V427 HydrophobicContact CB-CB 4.19Å; D422-V427 PolarHBondContact N-O 3.43Å; D422-V427 PolarHBondContact OD1-N 2.94Å; V427-C440 CarbonylContact C-O 3.55Å; V427-C440 WeakPolarHBondContact CA-O 3.19Å; V427-L448 HydrophobicContact CG1-CD1 4.15Å; V427-L448 HydrophobicContact CG2-CD1 3.97Å
428	A	85.1	Confident	84.3	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133.4	171	0	0	0	0	0	111	L334 T420 L439 C440 L442	L334-A428 HydrophobicContact CD1-CB 3.8Å; T420-A428 CarbonylContact O-C 3.47Å; T420-A428 VanDerWaalsContact O-CA 3.25Å; T420-A428 WeakPolarHBondContact O-CA 3.25Å; A428-L439 CarbonylContact O-C 3.54Å; A428-L439 WeakPolarHBondContact O-CA 3.42Å; A428-C440 PolarHBondContact N-O 2.8Å; A428-C440 PolarHBondContact O-N 3.46Å; A428-L442 HydrophobicContact CB-CD1 4.08Å; A428-L442 HydrophobicContact CB-CD2 3.74Å; A428-L442 HydrophobicContact CB-CG 4.06Å
429	A	88.1	Confident	84.7	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.8	165.1	0	0	0	0	0	109.4	C419 T420 I437 L438 L439 F463 L470	C419-A429 CarbonylContact C-O 3.58Å; C419-A429 VanDerWaalsContact CA-O 3.23Å; C419-A429 WeakPolarHBondContact CA-O 3.37Å; T420-A429 HydrophobicContact CG2-CB 3.83Å; T420-A429 PolarHBondContact N-O 3.05Å; T420-A429 PolarHBondContact O-N 3.3Å; A429-I437 HydrophobicContact CB-CG2 4.31Å; A429-L438 CarbonylContact C-O 3.52Å; A429-L438 WeakPolarHBondContact CA-O 3.45Å; A429-L439 HydrophobicContact CB-CD2 3.63Å; A429-F463 HydrophobicContact CB-CE2 3.67Å; A429-F463 HydrophobicContact CB-CZ 3.77Å; A429-L470 HydrophobicContact CB-CD1 4.07Å
430	C	86.2	Confident	84.7	Confident	3 Å²	3	26.6 Å²	26.6	2%	0.02	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	117.2	-177.5	-56.1	0	0	0	0	109.9	V416 I437 L438	V416-C430 HydrophobicContact CG1-CB 4.23Å; C430-I437 CarbonylContact O-C 3.58Å; C430-I437 WeakPolarHBondContact O-CA 3.48Å; C430-L438 HydrophobicContact CB-CB 4.38Å; C430-L438 PolarHBondContact N-O 2.83Å; C430-L438 PolarHBondContact O-N 3.4Å
431	C	87	Confident	84.5	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	136.6	172.9	-66.5	0	0	0	0	110.2	V416 T417 C418 V458 C461	V416-C431 CarbonylContact C-O 3.58Å; V416-C431 VanDerWaalsContact CA-O 3.26Å; V416-C431 WeakPolarHBondContact CA-O 3.45Å; V416-C431 WeakPolarHBondContact CG1-O 3.26Å; T417-C431 PolarHBondContact N-O 3.19Å; T417-C431 WeakPolarHBondContact OG1-CB 3.29Å; T417-C431 PolarHBondContact OG1-O 2.87Å; C418-C431 HydrophobicContact CB-CB 4.07Å; C418-C431 PolarHBondContact O-N 3.09Å; C431-V458 HydrophobicContact CB-CB 3.97Å; C431-V458 HydrophobicContact CB-CG1 3.91Å; C431-V458 WeakPolarHBondContact SG-CG1 3.49Å; C431-C461 VanDerWaalsContact SG-CB 3.52Å; C431-C461 PolarHBondContact SG-SG 3.23Å
432	S	84.5	Confident	84	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	147.1	-172.9	165.7	0	0	0	0	111.1	S414 D434 C435 S436	S414-S432 PolarHBondContact OG-OG 3Å; S432-D434 WeakPolarHBondContact CB-OD1 3.35Å; S432-D434 PolarHBondContact O-N 2.85Å; S432-D434 PolarHBondContact OG-N 2.78Å; S432-D434 PolarHBondContact OG-OD1 2.96Å; S432-C435 PolarHBondContact O-N 2.87Å; S432-S436 PolarHBondContact N-O 2.81Å
433	S	84.5	Confident	83.5	Confident	44 Å²	44	31 Å²	31	31%	0.308	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.8	175.2	67.2	0	0	0	0	113.8	S414 I415 C435	S414-S433 WeakPolarHBondContact CB-OG 3.43Å; S414-S433 PolarHBondContact OG-N 2.78Å; S414-S433 PolarHBondContact OG-OG 3.1Å; I415-S433 PolarHBondContact N-OG 3.15Å; I415-S433 VanDerWaalsContact N-OG 3.07Å; I415-S433 PolarHBondContact O-N 2.88Å; S433-C435 PolarHBondContact O-N 2.86Å; S433-C435 VanDerWaalsContact O-N 3.17Å
434	D	85	Confident	83.2	Confident	63 Å²	63	27.6 Å²	27.6	34%	0.337	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	15.3	172.8	82.5	-24.9	0	0	0	114.4	S414 S432 S436 K450	S414-D434 PolarHBondContact OG-N 3.15Å; S432-D434 WeakPolarHBondContact CB-OD1 3.35Å; S432-D434 PolarHBondContact O-N 2.85Å; S432-D434 PolarHBondContact OG-N 2.78Å; S432-D434 PolarHBondContact OG-OD1 2.96Å; D434-S436 PolarHBondContact O-N 3.48Å; D434-S436 WeakPolarHBondContact OD1-CB 3.48Å; D434-S436 PolarHBondContact OD1-N 3.21Å; D434-S436 VanDerWaalsContact OD1-N 3.13Å; D434-S436 PolarHBondContact OD1-OG 2.82Å; D434-S436 PolarHBondContact OD2-OG 2.86Å; D434-S436 VanDerWaalsContact OD2-OG 3.13Å; D434-K450 IonicContact OD2-NZ 3.95Å; D434-K450 PolarHBondContact OD2-NZ 3.04Å
435	C	89.6	Confident	83.1	Confident	33 Å²	33	23.9 Å²	23.9	22%	0.223	15%	0.145	C	C	.	.	S	Bend	trans	66.1	16.1	-178.8	-48.8	0	0	0	0	114.6	S432 S433 S456	S432-C435 PolarHBondContact O-N 2.87Å; S433-C435 PolarHBondContact O-N 2.86Å; S433-C435 VanDerWaalsContact O-N 3.17Å; C435-S456 PolarHBondContact SG-O 2.99Å
436	S	88.5	Confident	83.1	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.007	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	163.3	179.1	79.2	0	0	0	0	113.3	S432 D434 K450	S432-S436 PolarHBondContact N-O 2.81Å; D434-S436 PolarHBondContact O-N 3.48Å; D434-S436 WeakPolarHBondContact OD1-CB 3.48Å; D434-S436 PolarHBondContact OD1-N 3.21Å; D434-S436 VanDerWaalsContact OD1-N 3.13Å; D434-S436 PolarHBondContact OD1-OG 2.82Å; D434-S436 PolarHBondContact OD2-OG 2.86Å; D434-S436 VanDerWaalsContact OD2-OG 3.13Å; S436-K450 WeakPolarHBondContact OG-CE 3.46Å
437	I	89.3	Confident	83.2	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.5	171	-51.6	165.6	0	0	0	107.6	A429 C430 L451 V458 L470 S472	A429-I437 HydrophobicContact CB-CG2 4.31Å; C430-I437 CarbonylContact O-C 3.58Å; C430-I437 WeakPolarHBondContact O-CA 3.48Å; I437-L451 HydrophobicContact CB-CB 4.13Å; I437-L451 HydrophobicContact CB-CD1 4.2Å; I437-L451 HydrophobicContact CB-CG 4.49Å; I437-L451 HydrophobicContact CG2-CD1 4.29Å; I437-L451 PolarHBondContact N-O 3.45Å; I437-L451 PolarHBondContact O-N 3.12Å; I437-V458 HydrophobicContact CD1-CG1 4.22Å; I437-V458 HydrophobicContact CG1-CG1 4.06Å; I437-V458 HydrophobicContact CG1-CG2 4.11Å; I437-L470 HydrophobicContact CD1-CD2 4.27Å; I437-L470 HydrophobicContact CG2-CD2 4.2Å; I437-S472 WeakPolarHBondContact CD1-OG 3.01Å
438	L	87.5	Confident	83.2	Confident	14 Å²	14	33.3 Å²	33.3	7%	0.073	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126.3	178.9	-62.8	170	0	0	0	109.3	I412 A429 C430 V447 K450	I412-L438 HydrophobicContact CD1-CD1 3.57Å; I412-L438 HydrophobicContact CG1-CD1 3.57Å; I412-L438 HydrophobicContact CG2-CD1 4.35Å; A429-L438 CarbonylContact C-O 3.52Å; A429-L438 WeakPolarHBondContact CA-O 3.45Å; C430-L438 HydrophobicContact CB-CB 4.38Å; C430-L438 PolarHBondContact N-O 2.83Å; C430-L438 PolarHBondContact O-N 3.4Å; L438-V447 HydrophobicContact CD2-CG1 4.01Å; L438-K450 HydrophobicContact CD2-CB 3.93Å; L438-K450 HydrophobicContact CD2-CD 4.02Å; L438-K450 HydrophobicContact CD2-CG 3.74Å
439	L	89.2	Confident	83.3	Confident	10 Å²	10	36.4 Å²	36.4	5%	0.052	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	119.7	168.5	-60.9	-179.6	0	0	0	107.8	A428 A429 V447 L448 H449 L451 F463 L484 Y487	A428-L439 CarbonylContact O-C 3.54Å; A428-L439 WeakPolarHBondContact O-CA 3.42Å; A429-L439 HydrophobicContact CB-CD2 3.63Å; L439-V447 CarbonylContact O-C 3.53Å; L439-L448 HydrophobicContact CB-CB 4.4Å; L439-L448 WeakPolarHBondContact O-CB 3.38Å; L439-L448 PolarHBondContact O-N 2.74Å; L439-H449 HydrophobicContact CB-CB 4.38Å; L439-H449 HydrophobicContact CD1-CB 4.24Å; L439-H449 PolarHBondContact N-O 2.79Å; L439-H449 PolarHBondContact O-N 2.93Å; L439-L451 HydrophobicContact CD1-CD1 4.44Å; L439-L451 HydrophobicContact CG-CD1 4.47Å; L439-F463 HydrophobicContact CD2-CZ 4.14Å; L439-L484 HydrophobicContact CD1-CD2 4Å; L439-Y487 HydrophobicContact CD1-CE1 4.05Å
440	C	83.2	Confident	83.3	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.034	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.1	-174.2	-63.3	0	0	0	0	110.2	V427 A428 K446	V427-C440 CarbonylContact C-O 3.55Å; V427-C440 WeakPolarHBondContact CA-O 3.19Å; A428-C440 PolarHBondContact N-O 2.8Å; A428-C440 PolarHBondContact O-N 3.46Å; C440-K446 WeakPolarHBondContact CA-O 3.29Å
441	D	82.9	Confident	83.5	Confident	29 Å²	29	40.8 Å²	40.8	16%	0.155	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	118.4	167.6	175.1	6	0	0	0	108.9	V443 T444 G445 K446 L448	D441-V443 VanDerWaalsContact C-N 3.31Å; D441-V443 WeakPolarHBondContact OD1-CB 3.4Å; D441-V443 PolarHBondContact OD1-N 3.07Å; D441-T444 WeakPolarHBondContact CB-OG1 3.37Å; D441-T444 WeakPolarHBondContact OD2-CB 3.38Å; D441-T444 WeakPolarHBondContact OD2-CG2 3.31Å; D441-T444 PolarHBondContact OD2-OG1 2.87Å; D441-G445 VanDerWaalsContact O-CA 3.23Å; D441-G445 WeakPolarHBondContact O-CA 3.33Å; D441-G445 PolarHBondContact O-N 3.34Å; D441-K446 PolarHBondContact N-O 2.94Å; D441-K446 PolarHBondContact O-N 2.92Å; D441-L448 HydrophobicContact CB-CD1 3.99Å; D441-L448 HydrophobicContact CB-CD2 3.9Å; D441-L448 HydrophobicContact CB-CG 3.84Å
442	L	74.9	Confident	83.7	Confident	15 Å²	15	46.8 Å²	46.8	8%	0.079	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-14.6	-176.8	-60.7	176.6	0	0	0	113.1	L334 V343 Q406 F421 N426 A428	L334-L442 HydrophobicContact CD2-CD1 4.35Å; L334-L442 HydrophobicContact CD2-CD2 4.05Å; V343-L442 HydrophobicContact CG2-CD1 4.42Å; V343-L442 HydrophobicContact CG2-CD2 3.87Å; Q406-L442 PolarHBondContact OE1-O 3.45Å; F421-L442 HydrophobicContact CD1-CD1 3.66Å; F421-L442 HydrophobicContact CE1-CD1 3.2Å; F421-L442 HydrophobicContact CZ-CD1 4.24Å; N426-L442 WeakPolarHBondContact O-CB 3.47Å; N426-L442 PolarHBondContact O-N 3.08Å; A428-L442 HydrophobicContact CB-CD1 4.08Å; A428-L442 HydrophobicContact CB-CD2 3.74Å; A428-L442 HydrophobicContact CB-CG 4.06Å
443	V	74.5	Confident	83.7	Confident	92 Å²	92	48.7 Å²	48.7	56%	0.558	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-43.5	176.3	-177	0	0	0	0	110.2	Q406 D441	Q406-V443 PolarHBondContact OE1-O 2.71Å; D441-V443 VanDerWaalsContact C-N 3.31Å; D441-V443 WeakPolarHBondContact OD1-CB 3.4Å; D441-V443 PolarHBondContact OD1-N 3.07Å
444	T	73.6	Confident	84	Confident	69 Å²	69	47.4 Å²	47.4	42%	0.423	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-15.6	-178.6	63.3	0	0	0	0	113.5	D441 K446	D441-T444 WeakPolarHBondContact CB-OG1 3.37Å; D441-T444 WeakPolarHBondContact OD2-CB 3.38Å; D441-T444 WeakPolarHBondContact OD2-CG2 3.31Å; D441-T444 PolarHBondContact OD2-OG1 2.87Å; T444-K446 PolarHBondContact O-N 2.9Å; T444-K446 PolarHBondContact OG1-N 3.45Å
445	G	71.2	Confident	84.2	Confident	21 Å²	21	55.8 Å²	55.8	22%	0.216	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	15.4	-172.9	0	0	0	0	0	113.8	C408 D441	C408-G445 WeakPolarHBondContact SG-CA 3.29Å; C408-G445 PolarHBondContact SG-O 3.05Å; C408-G445 VanDerWaalsContact SG-O 3.41Å; D441-G445 VanDerWaalsContact O-CA 3.23Å; D441-G445 WeakPolarHBondContact O-CA 3.33Å; D441-G445 PolarHBondContact O-N 3.34Å
446	K	76	Confident	84.1	Confident	143 Å²	143	55.2 Å²	55.2	62%	0.622	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	144	-176.5	-68	-177.1	178.7	178.7	0	111.4	C440 D441 T444 L448	C440-K446 WeakPolarHBondContact CA-O 3.29Å; D441-K446 PolarHBondContact N-O 2.94Å; D441-K446 PolarHBondContact O-N 2.92Å; T444-K446 PolarHBondContact O-N 2.9Å; T444-K446 PolarHBondContact OG1-N 3.45Å; K446-L448 PolarHBondContact O-N 2.88Å
447	V	81.1	Confident	84.1	Confident	63 Å²	63	57 Å²	57	38%	0.382	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	116.6	166	-177.5	0	0	0	0	108.2	A410 L438 L439	A410-V447 HydrophobicContact CB-CG2 3.68Å; L438-V447 HydrophobicContact CD2-CG1 4.01Å; L439-V447 CarbonylContact O-C 3.53Å
448	L	85.8	Confident	84.1	Confident	93 Å²	93	57 Å²	57	49%	0.487	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-46.2	175.5	-66	175.7	0	0	0	111.2	V427 L439 D441 K446	V427-L448 HydrophobicContact CG1-CD1 4.15Å; V427-L448 HydrophobicContact CG2-CD1 3.97Å; L439-L448 HydrophobicContact CB-CB 4.4Å; L439-L448 WeakPolarHBondContact O-CB 3.38Å; L439-L448 PolarHBondContact O-N 2.74Å; D441-L448 HydrophobicContact CB-CD1 3.99Å; D441-L448 HydrophobicContact CB-CD2 3.9Å; D441-L448 HydrophobicContact CB-CG 3.84Å; K446-L448 PolarHBondContact O-N 2.88Å
449	H	86.9	Confident	84.1	Confident	65 Å²	65	58 Å²	58	30%	0.301	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	151.4	-177.5	-149	-73.8	0	0	0	112.3	L439 Y487	L439-H449 HydrophobicContact CB-CB 4.38Å; L439-H449 HydrophobicContact CD1-CB 4.24Å; L439-H449 PolarHBondContact N-O 2.79Å; L439-H449 PolarHBondContact O-N 2.93Å; H449-Y487 HydrophobicContact CB-CE1 4.09Å; H449-Y487 AromaticContact CD2-CD2 3.68Å; H449-Y487 AromaticContact CD2-CE1 3.89Å; H449-Y487 AromaticContact CD2-CE2 3.54Å; H449-Y487 AromaticContact CD2-CG 3.91Å; H449-Y487 AromaticContact CD2-CZ 3.64Å; H449-Y487 AromaticContact CE1-CG 3.99Å; H449-Y487 AromaticContact CG-CE1 3.93Å; H449-Y487 AromaticContact NE2-CD2 3.55Å; H449-Y487 AromaticContact NE2-CE2 3.88Å; H449-Y487 AromaticContact NE2-CG 3.77Å
450	K	88.5	Confident	84.1	Confident	91 Å²	91	61.1 Å²	61.1	40%	0.396	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	114.6	169.1	-173.8	169.8	-167.7	171	0	109.1	D434 S436 L438 L452	D434-K450 IonicContact OD2-NZ 3.95Å; D434-K450 PolarHBondContact OD2-NZ 3.04Å; S436-K450 WeakPolarHBondContact OG-CE 3.46Å; L438-K450 HydrophobicContact CD2-CB 3.93Å; L438-K450 HydrophobicContact CD2-CD 4.02Å; L438-K450 HydrophobicContact CD2-CG 3.74Å; K450-L452 HydrophobicContact CD-CD2 4.22Å; K450-L452 HydrophobicContact CG-CD2 4.09Å; K450-L452 HydrophobicContact CG-CG 4.38Å
451	L	90.8	Very high	84.5	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.021	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	125.9	176.6	-52.9	175.2	0	0	0	109.1	I437 L439 L470 W482 Y487	I437-L451 HydrophobicContact CB-CB 4.13Å; I437-L451 HydrophobicContact CB-CD1 4.2Å; I437-L451 HydrophobicContact CB-CG 4.49Å; I437-L451 HydrophobicContact CG2-CD1 4.29Å; I437-L451 PolarHBondContact N-O 3.45Å; I437-L451 PolarHBondContact O-N 3.12Å; L439-L451 HydrophobicContact CD1-CD1 4.44Å; L439-L451 HydrophobicContact CG-CD1 4.47Å; L451-L470 HydrophobicContact CD1-CD2 3.86Å; L451-W482 HydrophobicContact CB-CD2 4.43Å; L451-W482 HydrophobicContact CB-CE3 4.18Å; L451-W482 HydrophobicContact CB-CH2 3.96Å; L451-W482 HydrophobicContact CB-CZ2 4.2Å; L451-W482 HydrophobicContact CB-CZ3 3.94Å; L451-W482 HydrophobicContact CD1-CD2 4.02Å; L451-W482 HydrophobicContact CD1-CE3 4.24Å; L451-W482 HydrophobicContact CD1-CG 4.2Å; L451-W482 HydrophobicContact CD2-CE3 4.08Å; L451-W482 HydrophobicContact CD2-CZ3 4.34Å; L451-W482 HydrophobicContact CG-CE3 4.4Å; L451-Y487 HydrophobicContact CD2-CD1 3.77Å; L451-Y487 HydrophobicContact CD2-CG 4.39Å
452	L	90.4	Very high	84.9	Confident	125 Å²	125	60.4 Å²	60.4	65%	0.654	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.3	-177.3	-63.1	173.2	0	0	0	109.2	K450	K450-L452 HydrophobicContact CD-CD2 4.22Å; K450-L452 HydrophobicContact CG-CD2 4.09Å; K450-L452 HydrophobicContact CG-CG 4.38Å
453	G	85.5	Confident	85.6	Confident	42 Å²	42	60.1 Å²	60.1	43%	0.433	31%	0.314	S	S	.	.			trans	-177.9	-34.4	-179.4	0	0	0	0	0	114.2
454	H	89.7	Confident	86.2	Confident	16 Å²	16	56.3 Å²	56.3	7%	0.074	29%	0.29	C	S	.	.			trans	-70.8	148.6	173.9	-73.5	-72.4	0	0	0	111.8	V458 S472 D474 I478	H454-V458 HydrophobicContact CB-CG2 4Å; H454-S472 PolarHBondContact NE2-OG 2.93Å; H454-D474 HydrophobicContact CB-CB 4.38Å; H454-D474 IonicContact CE1-OD2 2.56Å; H454-D474 IonicContact CG-OD2 3.46Å; H454-D474 WeakPolarHBondContact ND1-CB 3.33Å; H454-D474 IonicContact ND1-OD2 2.76Å; H454-D474 PolarHBondContact ND1-OD2 2.88Å; H454-I478 PolarHBondContact CE1-O 3.44Å
455	R	88.9	Confident	86.6	Confident	239 Å²	239	54 Å²	54	90%	0.902	28%	0.278	S	S	*	.	S	Bend	trans	-110.2	3.8	176.1	-61.9	-173.7	179.6	-151	-0	112.8
456	S	88.7	Confident	87.1	Confident	22 Å²	22	58.5 Å²	58.5	15%	0.154	30%	0.297	C	S	.	.	S	Bend	trans	-140.6	156	-176.7	-167.9	0	0	0	0	107.9	C435 V458	C435-S456 PolarHBondContact SG-O 2.99Å; S456-V458 PolarHBondContact O-N 3.01Å
457	P	88	Confident	87.5	Confident	38 Å²	38	53.4 Å²	53.4	25%	0.247	28%	0.277	C	S	.	.			trans	-50.4	131.1	177.9	-30.9	38.3	0	0	0	112	T459 D474 Q475	P457-T459 PolarHBondContact O-N 2.78Å; P457-D474 WeakPolarHBondContact O-CA 3.49Å; P457-D474 WeakPolarHBondContact O-CB 3.38Å; P457-Q475 PolarHBondContact O-N 3.45Å
458	V	89.5	Confident	87.9	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	125.9	179.4	-170.5	0	0	0	0	108	T417 C431 I437 H454 S456 A473	T417-V458 WeakPolarHBondContact CB-O 2.89Å; T417-V458 PolarHBondContact OG1-O 3.26Å; C431-V458 HydrophobicContact CB-CB 3.97Å; C431-V458 HydrophobicContact CB-CG1 3.91Å; C431-V458 WeakPolarHBondContact SG-CG1 3.49Å; I437-V458 HydrophobicContact CD1-CG1 4.22Å; I437-V458 HydrophobicContact CG1-CG1 4.06Å; I437-V458 HydrophobicContact CG1-CG2 4.11Å; H454-V458 HydrophobicContact CB-CG2 4Å; S456-V458 PolarHBondContact O-N 3.01Å; V458-A473 CarbonylContact C-O 3.54Å; V458-A473 WeakPolarHBondContact CA-O 3.11Å; V458-A473 WeakPolarHBondContact CG1-O 3.37Å
459	T	87.8	Confident	88.2	Confident	37 Å²	37	51.3 Å²	51.3	23%	0.227	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-35.3	-174.6	52.1	0	0	0	0	112.5	P457 A473 Q475 I500	P457-T459 PolarHBondContact O-N 2.78Å; T459-A473 PolarHBondContact N-O 3.13Å; T459-A473 PolarHBondContact OG1-O 2.87Å; T459-Q475 HydrophobicContact CG2-CB 4.04Å; T459-I500 PolarHBondContact OG1-O 2.83Å
460	K	88.8	Confident	88.4	Confident	75 Å²	75	48.2 Å²	48.2	33%	0.326	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	151.1	-175.8	-157.1	79.2	-179.2	-175.4	0	111.5	S472 A473	K460-S472 WeakPolarHBondContact O-CA 3.2Å; K460-A473 PolarHBondContact N-O 2.86Å; K460-A473 PolarHBondContact O-N 2.82Å
461	C	91.2	Very high	88.6	Confident	5 Å²	5	43.9 Å²	43.9	3%	0.034	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	156.4	167.4	66.1	0	0	0	0	111.6	T420 C431 L470 I471	T420-C461 VanDerWaalsContact CG2-SG 3.52Å; C431-C461 VanDerWaalsContact SG-CB 3.52Å; C431-C461 PolarHBondContact SG-SG 3.23Å; C461-L470 HydrophobicContact CB-CD1 4.35Å; C461-I471 CarbonylContact C-O 3.51Å; C461-I471 WeakPolarHBondContact CA-O 3.47Å; C461-I471 WeakPolarHBondContact CB-O 3.37Å
462	S	90.7	Very high	88.8	Confident	13 Å²	13	43.7 Å²	43.7	9%	0.091	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	142.7	174.4	-168.2	0	0	0	0	111.3	L470 I471 N504	S462-L470 WeakPolarHBondContact O-CA 3.47Å; S462-L470 WeakPolarHBondContact O-CD1 3.36Å; S462-I471 PolarHBondContact N-O 3.19Å; S462-I471 PolarHBondContact O-N 2.75Å; S462-N504 WeakPolarHBondContact CB-OD1 3.49Å; S462-N504 PolarHBondContact OG-OD1 2.9Å
463	F	89.8	Confident	88.8	Confident	9 Å²	9	37.7 Å²	37.7	4%	0.039	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	146.4	171.3	-75.8	-79.7	0	0	0	110.6	T420 F421 A429 L439 L470 L484	T420-F463 HydrophobicContact CG2-CD2 3.67Å; T420-F463 HydrophobicContact CG2-CE2 3.81Å; F421-F463 WeakPolarHBondContact O-CD2 3.41Å; A429-F463 HydrophobicContact CB-CE2 3.67Å; A429-F463 HydrophobicContact CB-CZ 3.77Å; L439-F463 HydrophobicContact CD2-CZ 4.14Å; F463-L470 HydrophobicContact CD1-CD1 3.77Å; F463-L470 HydrophobicContact CD2-CD1 4.04Å; F463-L470 HydrophobicContact CE1-CD1 3.86Å; F463-L470 HydrophobicContact CE2-CD1 4.13Å; F463-L470 HydrophobicContact CG-CD1 3.87Å; F463-L470 HydrophobicContact CZ-CD1 4.04Å; F463-L484 HydrophobicContact CD1-CD1 3.83Å; F463-L484 HydrophobicContact CE1-CD1 3.61Å
464	D	87.6	Confident	89.1	Confident	13 Å²	13	35.7 Å²	35.7	7%	0.07	18%	0.178	C	C	.	.			trans	-69	164	165.8	-168.8	10.9	0	0	0	110.8	D466 D467 R469 F505	D464-D466 PolarHBondContact O-N 2.82Å; D464-D467 PolarHBondContact O-N 3.24Å; D464-D467 VanDerWaalsContact O-N 3.07Å; D464-R469 HydrophobicContact CB-CB 3.92Å; D464-R469 PolarHBondContact N-O 3.27Å; D464-R469 IonicContact OD1-NH2 3.76Å; D464-R469 IonicContact OD2-CZ 3.66Å; D464-R469 IonicContact OD2-NE 2.79Å; D464-R469 PolarHBondContact OD2-NE 3.45Å; D464-R469 IonicContact OD2-NH2 3.92Å; D464-R469 PolarHBondContact OD2-NH2 3.17Å; D464-F505 HydrophobicContact CB-CD1 4.35Å; D464-F505 HydrophobicContact CB-CD2 3.94Å; D464-F505 HydrophobicContact CB-CE1 4.28Å; D464-F505 HydrophobicContact CB-CE2 3.85Å; D464-F505 HydrophobicContact CB-CG 4.19Å; D464-F505 HydrophobicContact CB-CZ 4.03Å
465	A	81.5	Confident	89	Confident	20 Å²	20	39.9 Å²	39.9	17%	0.165	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-27.1	-173.7	0	0	0	0	0	114.1	I508	A465-I508 HydrophobicContact CB-CD1 3.25Å; A465-I508 HydrophobicContact CB-CG1 3.44Å; A465-I508 VanDerWaalsContact CB-CG1 3.44Å
466	D	82.4	Confident	88.9	Confident	115 Å²	115	31 Å²	31	62%	0.615	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	5.9	176.9	-69.1	-20.4	0	0	0	113.7	D464 S468	D464-D466 PolarHBondContact O-N 2.82Å; D466-S468 PolarHBondContact O-N 2.8Å
467	D	84.4	Confident	88.9	Confident	36 Å²	36	30 Å²	30	19%	0.193	17%	0.166	C	C	.	.	S	Bend	trans	54.8	17.8	-176.2	-56.8	-38.4	0	0	0	114.7	R423 D464 L484	R423-D467 WeakPolarHBondContact CB-OD2 3.34Å; R423-D467 PolarHBondContact N-OD1 2.78Å; R423-D467 PolarHBondContact N-OD2 3.09Å; D464-D467 PolarHBondContact O-N 3.24Å; D464-D467 VanDerWaalsContact O-N 3.07Å; D467-L484 WeakPolarHBondContact O-CD1 3.13Å
468	S	88.8	Confident	89	Confident	57 Å²	57	29.8 Å²	29.8	40%	0.399	16%	0.162	S	C	.	.	S	Bend	trans	-87.2	-22.9	-179.6	68.6	0	0	0	0	113	D466 L484	D466-S468 PolarHBondContact O-N 2.8Å; S468-L484 WeakPolarHBondContact O-CB 3.34Å; S468-L484 PolarHBondContact O-N 3.22Å
469	R	91.6	Very high	89.1	Confident	55 Å²	55	30 Å²	30	21%	0.208	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	151.9	-177.2	-60.8	178.9	-68.1	179.6	3.9	110.6	D464 L481 W482 F505 D513	D464-R469 HydrophobicContact CB-CB 3.92Å; D464-R469 PolarHBondContact N-O 3.27Å; D464-R469 IonicContact OD1-NH2 3.76Å; D464-R469 IonicContact OD2-CZ 3.66Å; D464-R469 IonicContact OD2-NE 2.79Å; D464-R469 PolarHBondContact OD2-NE 3.45Å; D464-R469 IonicContact OD2-NH2 3.92Å; D464-R469 PolarHBondContact OD2-NH2 3.17Å; R469-L481 HydrophobicContact CB-CD1 4.29Å; R469-W482 CarbonylContact C-O 3.48Å; R469-W482 WeakPolarHBondContact CA-O 3.46Å; R469-F505 HydrophobicContact CB-CZ 4.1Å; R469-D513 IonicContact CZ-OD1 3.56Å; R469-D513 IonicContact CZ-OD2 3.41Å; R469-D513 IonicContact NH1-OD1 3.49Å; R469-D513 PolarHBondContact NH1-OD1 3.48Å; R469-D513 IonicContact NH1-OD2 2.7Å; R469-D513 PolarHBondContact NH1-OD2 2.92Å; R469-D513 IonicContact NH2-OD1 2.79Å; R469-D513 PolarHBondContact NH2-OD1 2.72Å; R469-D513 IonicContact NH2-OD2 3.21Å; R469-D513 PolarHBondContact NH2-OD2 3.03Å
470	L	92.8	Very high	89.4	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.6	172.8	-178.1	88.9	0	0	0	108.3	A429 I437 L451 C461 S462 F463 W482 L484	A429-L470 HydrophobicContact CB-CD1 4.07Å; I437-L470 HydrophobicContact CD1-CD2 4.27Å; I437-L470 HydrophobicContact CG2-CD2 4.2Å; L451-L470 HydrophobicContact CD1-CD2 3.86Å; C461-L470 HydrophobicContact CB-CD1 4.35Å; S462-L470 WeakPolarHBondContact O-CA 3.47Å; S462-L470 WeakPolarHBondContact O-CD1 3.36Å; F463-L470 HydrophobicContact CD1-CD1 3.77Å; F463-L470 HydrophobicContact CD2-CD1 4.04Å; F463-L470 HydrophobicContact CE1-CD1 3.86Å; F463-L470 HydrophobicContact CE2-CD1 4.13Å; F463-L470 HydrophobicContact CG-CD1 3.87Å; F463-L470 HydrophobicContact CZ-CD1 4.04Å; L470-W482 HydrophobicContact CB-CB 4.15Å; L470-W482 PolarHBondContact N-O 2.82Å; L470-W482 WeakPolarHBondContact O-CB 3.47Å; L470-W482 PolarHBondContact O-N 2.93Å; L470-L484 HydrophobicContact CB-CD1 4.29Å; L470-L484 HydrophobicContact CB-CD2 4.19Å; L470-L484 HydrophobicContact CB-CG 4.42Å
471	I	92.7	Very high	89.6	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	138.7	168.2	-169.9	70.7	0	0	0	108.9	C461 S462 L479 L481 L492 F505 V515	C461-I471 CarbonylContact C-O 3.51Å; C461-I471 WeakPolarHBondContact CA-O 3.47Å; C461-I471 WeakPolarHBondContact CB-O 3.37Å; S462-I471 PolarHBondContact N-O 3.19Å; S462-I471 PolarHBondContact O-N 2.75Å; I471-L479 HydrophobicContact CD1-CD2 4.28Å; I471-L479 HydrophobicContact CG1-CD2 4.13Å; I471-L481 HydrophobicContact CD1-CB 4.28Å; I471-L481 HydrophobicContact CD1-CD1 4.38Å; I471-L492 HydrophobicContact CD1-CD1 3.77Å; I471-F505 HydrophobicContact CB-CE2 3.72Å; I471-F505 HydrophobicContact CB-CZ 3.89Å; I471-F505 HydrophobicContact CG2-CD2 4.02Å; I471-F505 HydrophobicContact CG2-CE2 3.63Å; I471-F505 HydrophobicContact CG2-CZ 4.29Å; I471-V515 HydrophobicContact CD1-CG1 4.1Å; I471-V515 HydrophobicContact CG1-CG1 3.95Å
472	S	93.1	Very high	89.6	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	149.7	173	66.6	0	0	0	0	112.6	I437 H454 K460 L479 L480 W482	I437-S472 WeakPolarHBondContact CD1-OG 3.01Å; H454-S472 PolarHBondContact NE2-OG 2.93Å; K460-S472 WeakPolarHBondContact O-CA 3.2Å; S472-L479 WeakPolarHBondContact O-CA 3.34Å; S472-L480 PolarHBondContact N-O 2.85Å; S472-L480 PolarHBondContact O-N 3.38Å; S472-W482 PolarHBondContact OG-NE1 3.46Å
473	A	91.7	Very high	89.7	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.8	-178.3	0	0	0	0	0	111.2	V458 T459 K460 I478 L479 I500	V458-A473 CarbonylContact C-O 3.54Å; V458-A473 WeakPolarHBondContact CA-O 3.11Å; V458-A473 WeakPolarHBondContact CG1-O 3.37Å; T459-A473 PolarHBondContact N-O 3.13Å; T459-A473 PolarHBondContact OG1-O 2.87Å; K460-A473 PolarHBondContact N-O 2.86Å; K460-A473 PolarHBondContact O-N 2.82Å; A473-I478 WeakPolarHBondContact CA-O 3.07Å; A473-L479 HydrophobicContact CB-CD2 3.85Å; A473-I500 HydrophobicContact CB-CB 3.72Å; A473-I500 HydrophobicContact CB-CD1 3.72Å; A473-I500 HydrophobicContact CB-CG1 4.29Å; A473-I500 HydrophobicContact CB-CG2 3.77Å
474	D	90.6	Very high	89.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	170.9	174.7	68	30.3	0	0	0	114.4	H454 P457 S476 G477 I478	H454-D474 HydrophobicContact CB-CB 4.38Å; H454-D474 IonicContact CE1-OD2 2.56Å; H454-D474 IonicContact CG-OD2 3.46Å; H454-D474 WeakPolarHBondContact ND1-CB 3.33Å; H454-D474 IonicContact ND1-OD2 2.76Å; H454-D474 PolarHBondContact ND1-OD2 2.88Å; P457-D474 WeakPolarHBondContact O-CA 3.49Å; P457-D474 WeakPolarHBondContact O-CB 3.38Å; D474-S476 VanDerWaalsContact CG-OG 3.25Å; D474-S476 PolarHBondContact O-N 3.17Å; D474-S476 VanDerWaalsContact O-N 3.16Å; D474-S476 WeakPolarHBondContact OD1-CA 3.45Å; D474-S476 WeakPolarHBondContact OD1-CB 3.28Å; D474-S476 PolarHBondContact OD1-N 2.76Å; D474-S476 PolarHBondContact OD1-OG 2.88Å; D474-S476 PolarHBondContact OD2-OG 3.43Å; D474-G477 PolarHBondContact O-N 2.56Å; D474-G477 PolarHBondContact OD1-N 2.76Å; D474-G477 VanDerWaalsContact OD1-N 3.12Å; D474-I478 PolarHBondContact N-O 2.76Å; D474-I478 VanDerWaalsContact N-O 3.14Å; D474-I478 PolarHBondContact OD1-N 2.87Å
475	Q	88.2	Confident	89.7	Confident	103 Å²	103	36.8 Å²	36.8	48%	0.481	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.9	179.5	-167.1	177.7	7.8	0	0	113.2	P457 T459 P499	P457-Q475 PolarHBondContact O-N 3.45Å; T459-Q475 HydrophobicContact CG2-CB 4.04Å; Q475-P499 HydrophobicContact CG-CB 4.31Å; Q475-P499 HydrophobicContact CG-CG 3.9Å; Q475-P499 WeakPolarHBondContact O-CG 3.48Å
476	S	87.6	Confident	90	Very high	53 Å²	53	38.6 Å²	38.6	37%	0.371	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-2.8	175.8	71	0	0	0	0	114.1	D474	D474-S476 VanDerWaalsContact CG-OG 3.25Å; D474-S476 PolarHBondContact O-N 3.17Å; D474-S476 VanDerWaalsContact O-N 3.16Å; D474-S476 WeakPolarHBondContact OD1-CA 3.45Å; D474-S476 WeakPolarHBondContact OD1-CB 3.28Å; D474-S476 PolarHBondContact OD1-N 2.76Å; D474-S476 PolarHBondContact OD1-OG 2.88Å; D474-S476 PolarHBondContact OD2-OG 3.43Å
477	G	87.8	Confident	90.3	Very high	2 Å²	2	37.8 Å²	37.8	2%	0.021	19%	0.194	C	C	.	.	S	Bend	trans	86.8	13.8	-179.9	0	0	0	0	0	114.3	D474 R498	D474-G477 PolarHBondContact O-N 2.56Å; D474-G477 PolarHBondContact OD1-N 2.76Å; D474-G477 VanDerWaalsContact OD1-N 3.12Å; G477-R498 VanDerWaalsContact CA-O 3.29Å; G477-R498 WeakPolarHBondContact CA-O 3.5Å
478	I	90.8	Very high	90.5	Very high	33 Å²	33	41.9 Å²	41.9	17%	0.169	21%	0.212	C	C	.	.			trans	-88.4	131.6	178	-59.1	174	0	0	0	109.9	H454 A473 D474 L480 R491	H454-I478 PolarHBondContact CE1-O 3.44Å; A473-I478 WeakPolarHBondContact CA-O 3.07Å; D474-I478 PolarHBondContact N-O 2.76Å; D474-I478 VanDerWaalsContact N-O 3.14Å; D474-I478 PolarHBondContact OD1-N 2.87Å; I478-L480 HydrophobicContact CG2-CD2 4.27Å; I478-L480 HydrophobicContact CG2-CG 4.47Å; I478-R491 HydrophobicContact CG2-CG 4.08Å
479	L	91.8	Very high	90.5	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131	172.5	-72.8	156.1	0	0	0	110.8	I471 S472 A473 L492 I500 C503 A517 Y526	I471-L479 HydrophobicContact CD1-CD2 4.28Å; I471-L479 HydrophobicContact CG1-CD2 4.13Å; S472-L479 WeakPolarHBondContact O-CA 3.34Å; A473-L479 HydrophobicContact CB-CD2 3.85Å; L479-L492 HydrophobicContact CB-CB 3.95Å; L479-L492 HydrophobicContact CB-CD1 3.98Å; L479-L492 HydrophobicContact CB-CG 4.28Å; L479-L492 HydrophobicContact CD1-CD1 4.37Å; L479-L492 PolarHBondContact O-N 2.85Å; L479-I500 HydrophobicContact CD1-CD1 3.97Å; L479-I500 HydrophobicContact CD2-CD1 3.71Å; L479-I500 HydrophobicContact CG-CD1 3.49Å; L479-I500 VanDerWaalsContact CG-CD1 3.49Å; L479-C503 HydrophobicContact CD2-CB 4.14Å; L479-A517 HydrophobicContact CD1-CB 3.53Å; L479-A517 HydrophobicContact CD2-CB 4.26Å; L479-A517 HydrophobicContact CG-CB 4.49Å; L479-Y526 HydrophobicContact CD1-CD2 4.4Å; L479-Y526 HydrophobicContact CD1-CE2 3.55Å
480	L	92.7	Very high	90.5	Very high	11 Å²	11	42.4 Å²	42.4	6%	0.058	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125	172.3	-63.8	-177.4	0	0	0	109.8	S472 I478 W482 R491	S472-L480 PolarHBondContact N-O 2.85Å; S472-L480 PolarHBondContact O-N 3.38Å; I478-L480 HydrophobicContact CG2-CD2 4.27Å; I478-L480 HydrophobicContact CG2-CG 4.47Å; L480-W482 HydrophobicContact CB-CZ2 4.25Å; L480-W482 HydrophobicContact CD1-CH2 4.32Å; L480-W482 HydrophobicContact CD1-CZ2 3.62Å; L480-R491 HydrophobicContact CD2-CB 3.83Å; L480-R491 HydrophobicContact CD2-CG 4.1Å
481	L	93	Very high	90.2	Very high	18 Å²	18	49.5 Å²	49.5	9%	0.094	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	116.2	169.3	-179.4	67.4	0	0	0	108.7	R469 I471 S489 T490 F505 L528 M532	R469-L481 HydrophobicContact CB-CD1 4.29Å; I471-L481 HydrophobicContact CD1-CB 4.28Å; I471-L481 HydrophobicContact CD1-CD1 4.38Å; L481-S489 CarbonylContact O-C 3.57Å; L481-S489 WeakPolarHBondContact O-CA 3.36Å; L481-T490 PolarHBondContact N-O 2.93Å; L481-T490 PolarHBondContact O-N 2.83Å; L481-F505 HydrophobicContact CD1-CE1 3.85Å; L481-F505 HydrophobicContact CD1-CZ 3.56Å; L481-L528 HydrophobicContact CD2-CD1 4.32Å; L481-L528 HydrophobicContact CD2-CD2 4.31Å; L481-M532 HydrophobicContact CD2-CE 4.31Å
482	W	92.4	Very high	89.9	Confident	5 Å²	5	49.6 Å²	49.6	2%	0.019	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	133.3	179.1	-57.6	85.9	0	0	0	110.3	L451 R469 L470 S472 L480 Q488	L451-W482 HydrophobicContact CB-CD2 4.43Å; L451-W482 HydrophobicContact CB-CE3 4.18Å; L451-W482 HydrophobicContact CB-CH2 3.96Å; L451-W482 HydrophobicContact CB-CZ2 4.2Å; L451-W482 HydrophobicContact CB-CZ3 3.94Å; L451-W482 HydrophobicContact CD1-CD2 4.02Å; L451-W482 HydrophobicContact CD1-CE3 4.24Å; L451-W482 HydrophobicContact CD1-CG 4.2Å; L451-W482 HydrophobicContact CD2-CE3 4.08Å; L451-W482 HydrophobicContact CD2-CZ3 4.34Å; L451-W482 HydrophobicContact CG-CE3 4.4Å; R469-W482 CarbonylContact C-O 3.48Å; R469-W482 WeakPolarHBondContact CA-O 3.46Å; L470-W482 HydrophobicContact CB-CB 4.15Å; L470-W482 PolarHBondContact N-O 2.82Å; L470-W482 WeakPolarHBondContact O-CB 3.47Å; L470-W482 PolarHBondContact O-N 2.93Å; S472-W482 PolarHBondContact OG-NE1 3.46Å; L480-W482 HydrophobicContact CB-CZ2 4.25Å; L480-W482 HydrophobicContact CD1-CH2 4.32Å; L480-W482 HydrophobicContact CD1-CZ2 3.62Å; W482-Q488 WeakPolarHBondContact CA-O 3.49Å
483	R	91.7	Very high	89.4	Confident	135 Å²	135	51.2 Å²	51.2	51%	0.509	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.3	163.9	-174.3	-173.3	-64.4	149.4	-3.8	108.2	S485 D486 Y487 Q488	R483-S485 VanDerWaalsContact CD-OG 3.23Å; R483-S485 WeakPolarHBondContact CD-OG 3.33Å; R483-S485 WeakPolarHBondContact CG-OG 3.43Å; R483-D486 WeakPolarHBondContact CB-OD1 3.47Å; R483-D486 IonicContact NH1-OD2 3.13Å; R483-D486 PolarHBondContact NH1-OD2 3.17Å; R483-D486 VanDerWaalsContact NH1-OD2 3.13Å; R483-Y487 WeakPolarHBondContact O-CA 3.42Å; R483-Y487 PolarHBondContact O-N 2.78Å; R483-Q488 PolarHBondContact N-O 3.47Å; R483-Q488 PolarHBondContact O-N 3.1Å
484	L	89.4	Confident	88.8	Confident	26 Å²	26	54.2 Å²	54.2	14%	0.136	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-11.7	-172.2	-63.6	170.2	0	0	0	113.3	L439 F463 D467 S468 L470	L439-L484 HydrophobicContact CD1-CD2 4Å; F463-L484 HydrophobicContact CD1-CD1 3.83Å; F463-L484 HydrophobicContact CE1-CD1 3.61Å; D467-L484 WeakPolarHBondContact O-CD1 3.13Å; S468-L484 WeakPolarHBondContact O-CB 3.34Å; S468-L484 PolarHBondContact O-N 3.22Å; L470-L484 HydrophobicContact CB-CD1 4.29Å; L470-L484 HydrophobicContact CB-CD2 4.19Å; L470-L484 HydrophobicContact CB-CG 4.42Å
485	S	88.3	Confident	88.3	Confident	100 Å²	100	56.4 Å²	56.4	70%	0.699	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-34.3	175.6	60.9	0	0	0	0	113.5	R483	R483-S485 VanDerWaalsContact CD-OG 3.23Å; R483-S485 WeakPolarHBondContact CD-OG 3.33Å; R483-S485 WeakPolarHBondContact CG-OG 3.43Å
486	D	88.1	Confident	87.9	Confident	59 Å²	59	51.8 Å²	51.8	32%	0.316	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-1.1	-176.9	57.8	10.5	0	0	0	113.1	R483 Q488	R483-D486 WeakPolarHBondContact CB-OD1 3.47Å; R483-D486 IonicContact NH1-OD2 3.13Å; R483-D486 PolarHBondContact NH1-OD2 3.17Å; R483-D486 VanDerWaalsContact NH1-OD2 3.13Å; D486-Q488 HydrophobicContact CB-CG 4.23Å; D486-Q488 PolarHBondContact O-N 3.48Å; D486-Q488 PolarHBondContact OD1-N 2.85Å; D486-Q488 VanDerWaalsContact OD1-N 3.13Å
487	Y	87.8	Confident	87.4	Confident	97 Å²	97	56.8 Å²	56.8	38%	0.38	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	26.5	-176.7	-53.2	-73.4	0	0	0	114	L439 H449 L451 R483	L439-Y487 HydrophobicContact CD1-CE1 4.05Å; H449-Y487 HydrophobicContact CB-CE1 4.09Å; H449-Y487 AromaticContact CD2-CD2 3.68Å; H449-Y487 AromaticContact CD2-CE1 3.89Å; H449-Y487 AromaticContact CD2-CE2 3.54Å; H449-Y487 AromaticContact CD2-CG 3.91Å; H449-Y487 AromaticContact CD2-CZ 3.64Å; H449-Y487 AromaticContact CE1-CG 3.99Å; H449-Y487 AromaticContact CG-CE1 3.93Å; H449-Y487 AromaticContact NE2-CD2 3.55Å; H449-Y487 AromaticContact NE2-CE2 3.88Å; H449-Y487 AromaticContact NE2-CG 3.77Å; L451-Y487 HydrophobicContact CD2-CD1 3.77Å; L451-Y487 HydrophobicContact CD2-CG 4.39Å; R483-Y487 WeakPolarHBondContact O-CA 3.42Å; R483-Y487 PolarHBondContact O-N 2.78Å
488	Q	89.2	Confident	87	Confident	123 Å²	123	63.8 Å²	63.8	58%	0.575	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	144.6	175.4	-65.9	-168.1	-1.5	0	0	111.4	W482 R483 D486	W482-Q488 WeakPolarHBondContact CA-O 3.49Å; R483-Q488 PolarHBondContact N-O 3.47Å; R483-Q488 PolarHBondContact O-N 3.1Å; D486-Q488 HydrophobicContact CB-CG 4.23Å; D486-Q488 PolarHBondContact O-N 3.48Å; D486-Q488 PolarHBondContact OD1-N 2.85Å; D486-Q488 VanDerWaalsContact OD1-N 3.13Å
489	S	90.2	Very high	86.6	Confident	52 Å²	52	64.4 Å²	64.4	36%	0.364	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	142.5	172.9	49	0	0	0	0	111.7	L481	L481-S489 CarbonylContact O-C 3.57Å; L481-S489 WeakPolarHBondContact O-CA 3.36Å
490	T	89.9	Confident	86.2	Confident	71 Å²	71	64.4 Å²	64.4	44%	0.436	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.6	168.6	-52.8	0	0	0	0	108	L481 M532	L481-T490 PolarHBondContact N-O 2.93Å; L481-T490 PolarHBondContact O-N 2.83Å; T490-M532 HydrophobicContact CG2-CE 3.9Å
491	R	87.5	Confident	85.6	Confident	148 Å²	148	67.6 Å²	67.6	56%	0.558	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	126.4	178.4	-175.2	176.1	179.5	-175.7	1.2	110	I478 L480	I478-R491 HydrophobicContact CG2-CG 4.08Å; L480-R491 HydrophobicContact CD2-CB 3.83Å; L480-R491 HydrophobicContact CD2-CG 4.1Å
492	L	86.6	Confident	85.2	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.016	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-77.1	157.9	171.9	-64.5	-178.4	0	0	0	111	I471 L479 A494 V515 Y526 L528 M532	I471-L492 HydrophobicContact CD1-CD1 3.77Å; L479-L492 HydrophobicContact CB-CB 3.95Å; L479-L492 HydrophobicContact CB-CD1 3.98Å; L479-L492 HydrophobicContact CB-CG 4.28Å; L479-L492 HydrophobicContact CD1-CD1 4.37Å; L479-L492 PolarHBondContact O-N 2.85Å; L492-A494 PolarHBondContact O-N 3.45Å; L492-V515 HydrophobicContact CD1-CG1 4.46Å; L492-Y526 HydrophobicContact CB-CD1 4.46Å; L492-Y526 HydrophobicContact CB-CE1 4.28Å; L492-Y526 HydrophobicContact CD1-CD2 4.37Å; L492-Y526 HydrophobicContact CD1-CG 4.24Å; L492-L528 HydrophobicContact CD2-CD2 4.17Å; L492-M532 HydrophobicContact CD2-CE 3.47Å; L492-M532 VanDerWaalsContact CD2-CE 3.47Å; L492-M532 HydrophobicContact CD2-CG 4.38Å; L492-M532 HydrophobicContact CD2-SD 3.28Å; L492-M532 WeakPolarHBondContact CD2-SD 3.45Å
493	P	82.7	Confident	84.9	Confident	34 Å²	34	67.8 Å²	67.8	22%	0.221	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-52.2	128.1	176.6	-25.8	33.9	0	0	0	112.4	L495 Y526 M532 W534	P493-L495 PolarHBondContact O-N 3.14Å; P493-Y526 HydrophobicContact CB-CE1 4.16Å; P493-Y526 HydrophobicContact CG-CE1 4.28Å; P493-Y526 PolarHBondContact O-OH 2.64Å; P493-M532 HydrophobicContact CG-CB 4.29Å; P493-W534 HydrophobicContact CB-CD2 4.38Å; P493-W534 HydrophobicContact CB-CE3 3.8Å; P493-W534 HydrophobicContact CB-CH2 4.02Å; P493-W534 HydrophobicContact CB-CZ3 3.62Å; P493-W534 HydrophobicContact CG-CE3 3.55Å; P493-W534 HydrophobicContact CG-CH2 4.22Å; P493-W534 HydrophobicContact CG-CZ3 3.37Å
494	A	79.1	Confident	84.7	Confident	62 Å²	62	63.4 Å²	63.4	51%	0.512	33%	0.331	S	S	.	.			trans	-81.5	82.8	-173.2	0	0	0	0	0	111.6	L492	L492-A494 PolarHBondContact O-N 3.45Å
495	L	79.6	Confident	84.6	Confident	46 Å²	46	62.7 Å²	62.7	24%	0.241	33%	0.327	C	S	.	.			trans	-90.7	-31.8	179.5	-57.6	173.7	0	0	0	112.7	P493 L522 A524 Y526 W534 T536	P493-L495 PolarHBondContact O-N 3.14Å; L495-L522 HydrophobicContact CB-CD2 3.84Å; L495-A524 HydrophobicContact CD1-CB 4.03Å; L495-Y526 HydrophobicContact CD1-CE1 3.8Å; L495-Y526 WeakPolarHBondContact CD1-OH 3.44Å; L495-Y526 HydrophobicContact CG-CE1 4.41Å; L495-W534 HydrophobicContact CD1-CB 4.06Å; L495-W534 HydrophobicContact CD1-CD2 4.05Å; L495-W534 HydrophobicContact CD1-CG 3.53Å; L495-W534 HydrophobicContact CD2-CD2 4.42Å; L495-W534 HydrophobicContact CD2-CZ2 4.13Å; L495-T536 HydrophobicContact CD1-CG2 4.19Å
496	H	79	Confident	84.3	Confident	6 Å²	6	59 Å²	59	3%	0.028	30%	0.299	C	S	.	.			trans	-86.5	131	-177.3	-55.3	-83.4	0	0	0	110.5	I500 S519 L522	H496-I500 HydrophobicContact CB-CG1 4.27Å; H496-S519 VanDerWaalsContact ND1-CB 3.34Å; H496-S519 WeakPolarHBondContact ND1-CB 3.16Å; H496-S519 PolarHBondContact ND1-OG 3.04Å; H496-L522 PolarHBondContact CE1-O 3.44Å
497	L	77.9	Confident	83.6	Confident	159 Å²	159	57.8 Å²	57.8	83%	0.832	30%	0.295	S	S	*	.	S	Bend	trans	-102.5	6.6	175.2	-62.1	175.3	0	0	0	112.4
498	R	80.2	Confident	82.6	Confident	148 Å²	148	59.1 Å²	59.1	56%	0.558	31%	0.307	S	S	*	.	S	Bend	trans	-140	162.3	-168.9	-70.6	-71.5	-177.4	172.8	1.2	109.7	G477 I500 D520	G477-R498 VanDerWaalsContact CA-O 3.29Å; G477-R498 WeakPolarHBondContact CA-O 3.5Å; R498-I500 PolarHBondContact O-N 2.86Å; R498-D520 VanDerWaalsContact CB-OD1 3.27Å; R498-D520 WeakPolarHBondContact CB-OD1 3.39Å; R498-D520 WeakPolarHBondContact CB-OD2 3.38Å; R498-D520 WeakPolarHBondContact CG-OD1 3.43Å; R498-D520 VanDerWaalsContact CG-OD2 3.27Å; R498-D520 WeakPolarHBondContact CG-OD2 3.44Å
499	P	80.8	Confident	81.3	Confident	46 Å²	46	58.1 Å²	58.1	30%	0.299	31%	0.309	S	S	.	.			trans	-55.5	134.4	178	-20.9	30.4	0	0	0	111.2	Q475	Q475-P499 HydrophobicContact CG-CB 4.31Å; Q475-P499 HydrophobicContact CG-CG 3.9Å; Q475-P499 WeakPolarHBondContact O-CG 3.48Å
500	I	83.6	Confident	80	Confident	4 Å²	4	57.4 Å²	57.4	2%	0.021	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	127.7	175	-66.7	165.6	0	0	0	108.4	T459 A473 L479 H496 R498 F502 C503	T459-I500 PolarHBondContact OG1-O 2.83Å; A473-I500 HydrophobicContact CB-CB 3.72Å; A473-I500 HydrophobicContact CB-CD1 3.72Å; A473-I500 HydrophobicContact CB-CG1 4.29Å; A473-I500 HydrophobicContact CB-CG2 3.77Å; L479-I500 HydrophobicContact CD1-CD1 3.97Å; L479-I500 HydrophobicContact CD2-CD1 3.71Å; L479-I500 HydrophobicContact CG-CD1 3.49Å; L479-I500 VanDerWaalsContact CG-CD1 3.49Å; H496-I500 HydrophobicContact CB-CG1 4.27Å; R498-I500 PolarHBondContact O-N 2.86Å; I500-F502 VanDerWaalsContact CG2-O 3.27Å; I500-F502 WeakPolarHBondContact CG2-O 3.42Å; I500-C503 HydrophobicContact CG2-CB 4.2Å
501	L	81	Confident	78.6	Confident	77 Å²	77	63.5 Å²	63.5	40%	0.403	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-36.7	-178.2	-59.7	174.6	0	0	0	111.2	I518 I544	L501-I518 PolarHBondContact N-O 3.4Å; L501-I544 WeakPolarHBondContact CD1-O 3.25Å
502	F	84	Confident	77.7	Confident	24 Å²	24	61.5 Å²	61.5	11%	0.105	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	133.4	-176.6	-179.9	-88.1	0	0	0	110	I500 N504 A517 I518 L549	I500-F502 VanDerWaalsContact CG2-O 3.27Å; I500-F502 WeakPolarHBondContact CG2-O 3.42Å; F502-N504 HydrophobicContact CE1-CB 3.63Å; F502-N504 HydrophobicContact CZ-CB 3.63Å; F502-A517 WeakPolarHBondContact O-CA 3.38Å; F502-I518 HydrophobicContact CB-CB 4.23Å; F502-I518 HydrophobicContact CB-CD1 4.43Å; F502-I518 HydrophobicContact CD1-CD1 3.96Å; F502-I518 HydrophobicContact CD1-CG1 4.41Å; F502-I518 HydrophobicContact CG-CD1 4.47Å; F502-I518 PolarHBondContact N-O 3.44Å; F502-I518 PolarHBondContact O-N 2.97Å; F502-L549 HydrophobicContact CE1-CB 4.46Å; F502-L549 HydrophobicContact CZ-CB 4.19Å
503	C	87.5	Confident	77.3	Confident	4 Å²	4	63.8 Å²	63.8	3%	0.027	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	125.8	169.4	63.9	0	0	0	0	109.3	L479 I500 V516	L479-C503 HydrophobicContact CD2-CB 4.14Å; I500-C503 HydrophobicContact CG2-CB 4.2Å; C503-V516 VanDerWaalsContact CA-O 3.32Å; C503-V516 WeakPolarHBondContact CA-O 3.3Å
504	N	87.5	Confident	77.4	Confident	43 Å²	43	62.2 Å²	62.2	23%	0.23	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	154.1	178	-149.9	2.9	0	0	0	111.5	S462 F502 V516	S462-N504 WeakPolarHBondContact CB-OD1 3.49Å; S462-N504 PolarHBondContact OG-OD1 2.9Å; F502-N504 HydrophobicContact CE1-CB 3.63Å; F502-N504 HydrophobicContact CZ-CB 3.63Å; N504-V516 PolarHBondContact N-O 3.06Å; N504-V516 PolarHBondContact O-N 2.87Å
505	F	86.3	Confident	77.7	Confident	11 Å²	11	59.3 Å²	59.3	5%	0.048	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	146.8	167.5	-69.1	-87.9	0	0	0	109.3	D464 R469 I471 L481 V515 L528	D464-F505 HydrophobicContact CB-CD1 4.35Å; D464-F505 HydrophobicContact CB-CD2 3.94Å; D464-F505 HydrophobicContact CB-CE1 4.28Å; D464-F505 HydrophobicContact CB-CE2 3.85Å; D464-F505 HydrophobicContact CB-CG 4.19Å; D464-F505 HydrophobicContact CB-CZ 4.03Å; R469-F505 HydrophobicContact CB-CZ 4.1Å; I471-F505 HydrophobicContact CB-CE2 3.72Å; I471-F505 HydrophobicContact CB-CZ 3.89Å; I471-F505 HydrophobicContact CG2-CD2 4.02Å; I471-F505 HydrophobicContact CG2-CE2 3.63Å; I471-F505 HydrophobicContact CG2-CZ 4.29Å; L481-F505 HydrophobicContact CD1-CE1 3.85Å; L481-F505 HydrophobicContact CD1-CZ 3.56Å; F505-V515 HydrophobicContact CD1-CG2 3.64Å; F505-V515 HydrophobicContact CE1-CG2 3.64Å; F505-V515 HydrophobicContact CG-CG2 4.43Å; F505-V515 HydrophobicContact CZ-CG2 4.43Å; F505-L528 HydrophobicContact CE1-CD1 4.23Å
506	M	81.9	Confident	78	Confident	21 Å²	21	57.1 Å²	57.1	10%	0.103	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-63.9	142.7	166.2	-74.9	-153.6	-159.6	0	0	109.7	C510 C514 V516 V525	M506-C510 HydrophobicContact CB-CB 4.34Å; M506-C510 HydrophobicContact SD-CB 4.22Å; M506-C514 HydrophobicContact CB-CB 4.2Å; M506-C514 HydrophobicContact CE-CB 3.55Å; M506-C514 HydrophobicContact CG-CB 3.67Å; M506-C514 PolarHBondContact N-O 2.85Å; M506-C514 HydrophobicContact SD-CB 3.76Å; M506-V516 HydrophobicContact CE-CG2 4.12Å; M506-V516 HydrophobicContact CG-CG2 4.04Å; M506-V525 HydrophobicContact CE-CG1 3.4Å
507	P	74.1	Confident	78.4	Confident	35 Å²	35	56.9 Å²	56.9	23%	0.227	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-63.9	151.5	177.2	25.3	-32.1	0	0	0	111.3	T509 C510 P551	P507-T509 PolarHBondContact O-N 2.8Å; P507-C510 WeakPolarHBondContact O-CB 3.15Å; P507-C510 PolarHBondContact O-N 2.87Å; P507-P551 VanDerWaalsContact CB-O 3.26Å; P507-P551 WeakPolarHBondContact CB-O 3.34Å; P507-P551 WeakPolarHBondContact CG-O 3.29Å
508	I	65.1	Low	78.8	Confident	124 Å²	124	49.3 Å²	49.3	64%	0.636	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-20.1	-177.7	-60	160.8	0	0	0	112.9	A465 C510	A465-I508 HydrophobicContact CB-CD1 3.25Å; A465-I508 HydrophobicContact CB-CG1 3.44Å; A465-I508 VanDerWaalsContact CB-CG1 3.44Å; I508-C510 PolarHBondContact O-N 3.29Å
509	T	62.3	Low	79.1	Confident	102 Å²	102	42.2 Å²	42.2	63%	0.626	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.7	174.6	46.9	0	0	0	0	112.8	P507 P551 S552	P507-T509 PolarHBondContact O-N 2.8Å; T509-P551 PolarHBondContact OG1-O 3.36Å; T509-S552 PolarHBondContact OG1-O 3.46Å
510	C	63.3	Low	79.3	Confident	37 Å²	37	42 Å²	42	25%	0.25	22%	0.22	C	C	.	.	S	Bend	trans	-78.9	128.5	170.5	-162.7	0	0	0	0	109.3	M506 P507 I508 Q512	M506-C510 HydrophobicContact CB-CB 4.34Å; M506-C510 HydrophobicContact SD-CB 4.22Å; P507-C510 WeakPolarHBondContact O-CB 3.15Å; P507-C510 PolarHBondContact O-N 2.87Å; I508-C510 PolarHBondContact O-N 3.29Å; C510-Q512 PolarHBondContact O-N 3.35Å; C510-Q512 VanDerWaalsContact O-N 3.17Å
511	Q	61.2	Low	79.4	Confident	200 Å²	200	44.1 Å²	44.1	94%	0.935	24%	0.235	S	C	*	.	S	Bend	trans	-67.1	-12.8	177	-68.3	-173.1	-10	0	0	113
512	Q	68	Low	79.7	Confident	105 Å²	105	41 Å²	41	49%	0.491	22%	0.218	S	C	.	.	S	Bend	trans	-100	132.1	-177.5	-65.5	-177.9	-24.8	0	0	111.2	C510 C514	C510-Q512 PolarHBondContact O-N 3.35Å; C510-Q512 VanDerWaalsContact O-N 3.17Å; Q512-C514 PolarHBondContact O-N 3.09Å; Q512-C514 VanDerWaalsContact O-N 3.13Å
513	D	78.3	Confident	79.9	Confident	51 Å²	51	40 Å²	40	27%	0.273	21%	0.214	S	C	.	.			trans	-80.9	90.7	176.6	-172.4	19.9	0	0	0	109.1	R469 L528 T529	R469-D513 IonicContact CZ-OD1 3.56Å; R469-D513 IonicContact CZ-OD2 3.41Å; R469-D513 IonicContact NH1-OD1 3.49Å; R469-D513 PolarHBondContact NH1-OD1 3.48Å; R469-D513 IonicContact NH1-OD2 2.7Å; R469-D513 PolarHBondContact NH1-OD2 2.92Å; R469-D513 IonicContact NH2-OD1 2.79Å; R469-D513 PolarHBondContact NH2-OD1 2.72Å; R469-D513 IonicContact NH2-OD2 3.21Å; R469-D513 PolarHBondContact NH2-OD2 3.03Å; D513-L528 HydrophobicContact CB-CB 4.32Å; D513-L528 WeakPolarHBondContact O-CB 3.47Å; D513-L528 WeakPolarHBondContact O-CG 3.34Å; D513-L528 PolarHBondContact O-N 3.12Å; D513-T529 HydrophobicContact CB-CG2 3.9Å
514	C	84.4	Confident	79.9	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	150.7	-170.9	-74.9	0	0	0	0	113.4	M506 Q512 V525 Y526	M506-C514 HydrophobicContact CB-CB 4.2Å; M506-C514 HydrophobicContact CE-CB 3.55Å; M506-C514 HydrophobicContact CG-CB 3.67Å; M506-C514 PolarHBondContact N-O 2.85Å; M506-C514 HydrophobicContact SD-CB 3.76Å; Q512-C514 PolarHBondContact O-N 3.09Å; Q512-C514 VanDerWaalsContact O-N 3.13Å; C514-V525 HydrophobicContact CB-CG1 4.17Å; C514-Y526 CarbonylContact C-O 3.56Å; C514-Y526 WeakPolarHBondContact CA-O 3.3Å
515	V	85	Confident	79.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.9	172.3	174.1	0	0	0	0	109.2	I471 L492 F505 V525 Y526 L528	I471-V515 HydrophobicContact CD1-CG1 4.1Å; I471-V515 HydrophobicContact CG1-CG1 3.95Å; L492-V515 HydrophobicContact CD1-CG1 4.46Å; F505-V515 HydrophobicContact CD1-CG2 3.64Å; F505-V515 HydrophobicContact CE1-CG2 3.64Å; F505-V515 HydrophobicContact CG-CG2 4.43Å; F505-V515 HydrophobicContact CZ-CG2 4.43Å; V515-V525 WeakPolarHBondContact O-CA 3.28Å; V515-Y526 PolarHBondContact N-O 3.46Å; V515-Y526 PolarHBondContact O-N 2.92Å; V515-L528 HydrophobicContact CG2-CD1 3.87Å; V515-L528 HydrophobicContact CG2-CD2 4.39Å; V515-L528 HydrophobicContact CG2-CG 4.31Å
516	V	86.8	Confident	79.8	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.3	174.2	-176.2	0	0	0	0	108.8	C503 N504 M506 I518 V525 L549	C503-V516 VanDerWaalsContact CA-O 3.32Å; C503-V516 WeakPolarHBondContact CA-O 3.3Å; N504-V516 PolarHBondContact N-O 3.06Å; N504-V516 PolarHBondContact O-N 2.87Å; M506-V516 HydrophobicContact CE-CG2 4.12Å; M506-V516 HydrophobicContact CG-CG2 4.04Å; V516-I518 HydrophobicContact CG1-CD1 4.21Å; V516-I518 HydrophobicContact CG1-CG1 4.13Å; V516-V525 HydrophobicContact CG2-CG2 4.37Å; V516-L549 HydrophobicContact CG2-CD2 4.37Å
517	A	87.4	Confident	79.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.2	174.8	0	0	0	0	0	110.7	L479 F502 A524 Y526	L479-A517 HydrophobicContact CD1-CB 3.53Å; L479-A517 HydrophobicContact CD2-CB 4.26Å; L479-A517 HydrophobicContact CG-CB 4.49Å; F502-A517 WeakPolarHBondContact O-CA 3.38Å; A517-A524 PolarHBondContact N-O 2.93Å; A517-A524 PolarHBondContact O-N 2.81Å; A517-Y526 HydrophobicContact CB-CE2 4Å
518	I	86.5	Confident	80.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.2	-174.2	-56.5	172.2	0	0	0	108.6	L501 F502 V516 L523 I544 A547 L558	L501-I518 PolarHBondContact N-O 3.4Å; F502-I518 HydrophobicContact CB-CB 4.23Å; F502-I518 HydrophobicContact CB-CD1 4.43Å; F502-I518 HydrophobicContact CD1-CD1 3.96Å; F502-I518 HydrophobicContact CD1-CG1 4.41Å; F502-I518 HydrophobicContact CG-CD1 4.47Å; F502-I518 PolarHBondContact N-O 3.44Å; F502-I518 PolarHBondContact O-N 2.97Å; V516-I518 HydrophobicContact CG1-CD1 4.21Å; V516-I518 HydrophobicContact CG1-CG1 4.13Å; I518-L523 HydrophobicContact CD1-CD1 4.03Å; I518-L523 HydrophobicContact CD1-CG 4.47Å; I518-L523 HydrophobicContact CG1-CB 4.37Å; I518-L523 HydrophobicContact CG1-CD1 4.11Å; I518-L523 HydrophobicContact CG1-CG 4.01Å; I518-I544 HydrophobicContact CG2-CB 4.3Å; I518-I544 HydrophobicContact CG2-CD1 3.78Å; I518-I544 HydrophobicContact CG2-CG2 3.77Å; I518-A547 HydrophobicContact CD1-CB 3.32Å; I518-A547 HydrophobicContact CG2-CB 4.3Å; I518-L558 HydrophobicContact CD1-CD2 3.76Å
519	S	87.2	Confident	81	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	177.1	166.3	67.8	0	0	0	0	110.3	H496 S521 L522	H496-S519 VanDerWaalsContact ND1-CB 3.34Å; H496-S519 WeakPolarHBondContact ND1-CB 3.16Å; H496-S519 PolarHBondContact ND1-OG 3.04Å; S519-S521 PolarHBondContact O-N 3.18Å; S519-L522 PolarHBondContact N-O 3.27Å; S519-L522 PolarHBondContact OG-N 3.33Å; S519-L522 PolarHBondContact OG-O 3.13Å
520	D	84	Confident	81.3	Confident	42 Å²	42	36.8 Å²	36.8	23%	0.225	20%	0.197	C	C	.	.	S	Bend	trans	-52.1	-23.2	176	60.5	-1	0	0	0	115.4	R498 T543 I544	R498-D520 VanDerWaalsContact CB-OD1 3.27Å; R498-D520 WeakPolarHBondContact CB-OD1 3.39Å; R498-D520 WeakPolarHBondContact CB-OD2 3.38Å; R498-D520 WeakPolarHBondContact CG-OD1 3.43Å; R498-D520 VanDerWaalsContact CG-OD2 3.27Å; R498-D520 WeakPolarHBondContact CG-OD2 3.44Å; D520-T543 CarbonylContact O-C 3.59Å; D520-T543 WeakPolarHBondContact O-CA 3.27Å; D520-T543 VanDerWaalsContact O-CB 3.23Å; D520-T543 WeakPolarHBondContact O-CB 3.47Å; D520-I544 PolarHBondContact O-N 2.67Å
521	S	85.1	Confident	81.3	Confident	48 Å²	48	38.2 Å²	38.2	34%	0.336	22%	0.218	S	C	.	.	S	Bend	trans	-129.1	-11.7	-168.2	43.9	0	0	0	0	113.5	S519 Q538	S519-S521 PolarHBondContact O-N 3.18Å; S521-Q538 WeakPolarHBondContact O-CG 3.42Å
522	L	88.1	Confident	81.9	Confident	11 Å²	11	30.9 Å²	30.9	6%	0.058	18%	0.184	C	C	.	.			trans	-148.8	128.2	-168.2	-174.1	72	0	0	0	110.4	L495 H496 S519 T536 Q538	L495-L522 HydrophobicContact CB-CD2 3.84Å; H496-L522 PolarHBondContact CE1-O 3.44Å; S519-L522 PolarHBondContact N-O 3.27Å; S519-L522 PolarHBondContact OG-N 3.33Å; S519-L522 PolarHBondContact OG-O 3.13Å; L522-T536 HydrophobicContact CD1-CG2 3.82Å; L522-T536 HydrophobicContact CD2-CG2 4.25Å; L522-T536 HydrophobicContact CG-CG2 4.37Å; L522-Q538 HydrophobicContact CD1-CG 3.46Å; L522-Q538 VanDerWaalsContact CD1-CG 3.46Å
523	L	87.4	Confident	82.5	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.7	158.9	179.3	154	0	0	0	107.9	I518 V525 T536 W537 I544 L558 L568 M570 M575	I518-L523 HydrophobicContact CD1-CD1 4.03Å; I518-L523 HydrophobicContact CD1-CG 4.47Å; I518-L523 HydrophobicContact CG1-CB 4.37Å; I518-L523 HydrophobicContact CG1-CD1 4.11Å; I518-L523 HydrophobicContact CG1-CG 4.01Å; L523-V525 HydrophobicContact CD2-CG2 3.81Å; L523-T536 CarbonylContact O-C 3.57Å; L523-T536 VanDerWaalsContact O-CA 3.28Å; L523-T536 WeakPolarHBondContact O-CA 3.43Å; L523-W537 HydrophobicContact CB-CB 4.35Å; L523-W537 HydrophobicContact CB-CE3 4.34Å; L523-W537 HydrophobicContact CD2-CB 4.36Å; L523-W537 PolarHBondContact N-O 2.94Å; L523-W537 PolarHBondContact O-N 2.76Å; L523-I544 HydrophobicContact CB-CD1 4.49Å; L523-L558 HydrophobicContact CD1-CD1 4.01Å; L523-L558 HydrophobicContact CD1-CD2 4.07Å; L523-L568 HydrophobicContact CD1-CD1 4.13Å; L523-M570 HydrophobicContact CD2-CE 4.32Å; L523-M575 HydrophobicContact CD2-CE 4.25Å
524	A	87.4	Confident	82.6	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135.5	174.7	0	0	0	0	0	110.3	L495 A517 Y526 K535	L495-A524 HydrophobicContact CD1-CB 4.03Å; A517-A524 PolarHBondContact N-O 2.93Å; A517-A524 PolarHBondContact O-N 2.81Å; A524-Y526 HydrophobicContact CB-CD2 4.38Å; A524-Y526 HydrophobicContact CB-CE2 3.72Å; A524-K535 CarbonylContact C-O 3.51Å; A524-K535 VanDerWaalsContact CA-O 3.3Å; A524-K535 WeakPolarHBondContact CA-O 3.49Å
525	V	86.9	Confident	82.5	Confident	18 Å²	18	37.2 Å²	37.2	11%	0.109	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	117.9	171.1	-176.4	0	0	0	0	107.5	M506 C514 V515 V516 L523 W534 K535 M570	M506-V525 HydrophobicContact CE-CG1 3.4Å; C514-V525 HydrophobicContact CB-CG1 4.17Å; V515-V525 WeakPolarHBondContact O-CA 3.28Å; V516-V525 HydrophobicContact CG2-CG2 4.37Å; L523-V525 HydrophobicContact CD2-CG2 3.81Å; V525-W534 CarbonylContact O-C 3.54Å; V525-W534 WeakPolarHBondContact O-CA 3.21Å; V525-W534 WeakPolarHBondContact O-CB 3.47Å; V525-K535 PolarHBondContact N-O 2.76Å; V525-K535 PolarHBondContact O-N 3.31Å; V525-M570 HydrophobicContact CG2-CE 3.34Å
526	Y	85.7	Confident	82.5	Confident	1 Å²	1	41.1 Å²	41.1	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.7	179	-63.3	-91.2	0	0	0	109.4	L479 L492 P493 L495 C514 V515 A517 A524 S533 W534	L479-Y526 HydrophobicContact CD1-CD2 4.4Å; L479-Y526 HydrophobicContact CD1-CE2 3.55Å; L492-Y526 HydrophobicContact CB-CD1 4.46Å; L492-Y526 HydrophobicContact CB-CE1 4.28Å; L492-Y526 HydrophobicContact CD1-CD2 4.37Å; L492-Y526 HydrophobicContact CD1-CG 4.24Å; P493-Y526 HydrophobicContact CB-CE1 4.16Å; P493-Y526 HydrophobicContact CG-CE1 4.28Å; P493-Y526 PolarHBondContact O-OH 2.64Å; L495-Y526 HydrophobicContact CD1-CE1 3.8Å; L495-Y526 WeakPolarHBondContact CD1-OH 3.44Å; L495-Y526 HydrophobicContact CG-CE1 4.41Å; C514-Y526 CarbonylContact C-O 3.56Å; C514-Y526 WeakPolarHBondContact CA-O 3.3Å; V515-Y526 PolarHBondContact N-O 3.46Å; V515-Y526 PolarHBondContact O-N 2.92Å; A517-Y526 HydrophobicContact CB-CE2 4Å; A524-Y526 HydrophobicContact CB-CD2 4.38Å; A524-Y526 HydrophobicContact CB-CE2 3.72Å; Y526-S533 CarbonylContact C-O 3.54Å; Y526-S533 WeakPolarHBondContact CA-O 3.42Å; Y526-W534 HydrophobicContact CD1-CB 3.89Å; Y526-W534 HydrophobicContact CE1-CB 4.21Å; Y526-W534 HydrophobicContact CG-CB 4.47Å
527	D	84.3	Confident	82.4	Confident	23 Å²	23	43 Å²	43	12%	0.123	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.2	172.8	-169.6	-10.5	0	0	0	109.8	T529 M532 S533	D527-T529 PolarHBondContact OD1-N 2.94Å; D527-T529 PolarHBondContact OD1-OG1 2.64Å; D527-M532 VanDerWaalsContact O-CA 3.26Å; D527-M532 WeakPolarHBondContact O-CA 3.43Å; D527-M532 PolarHBondContact O-N 2.59Å; D527-S533 WeakPolarHBondContact CB-OG 3.47Å; D527-S533 PolarHBondContact N-O 2.78Å; D527-S533 PolarHBondContact O-N 3.07Å
528	L	83.4	Confident	82.3	Confident	25 Å²	25	49.1 Å²	49.1	13%	0.131	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-13.7	-178.1	-55.4	-178.8	0	0	0	112.5	L481 L492 F505 D513 V515 M532	L481-L528 HydrophobicContact CD2-CD1 4.32Å; L481-L528 HydrophobicContact CD2-CD2 4.31Å; L492-L528 HydrophobicContact CD2-CD2 4.17Å; F505-L528 HydrophobicContact CE1-CD1 4.23Å; D513-L528 HydrophobicContact CB-CB 4.32Å; D513-L528 WeakPolarHBondContact O-CB 3.47Å; D513-L528 WeakPolarHBondContact O-CG 3.34Å; D513-L528 PolarHBondContact O-N 3.12Å; V515-L528 HydrophobicContact CG2-CD1 3.87Å; V515-L528 HydrophobicContact CG2-CD2 4.39Å; V515-L528 HydrophobicContact CG2-CG 4.31Å; L528-M532 HydrophobicContact CD2-CE 4.23Å; L528-M532 HydrophobicContact CD2-SD 3.49Å; L528-M532 WeakPolarHBondContact CD2-SD 3.14Å
529	T	77.9	Confident	82	Confident	81 Å²	81	49.8 Å²	49.8	50%	0.497	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-38.7	-177.1	68.8	0	0	0	0	112.1	D513 D527	D513-T529 HydrophobicContact CB-CG2 3.9Å; D527-T529 PolarHBondContact OD1-N 2.94Å; D527-T529 PolarHBondContact OD1-OG1 2.64Å
530	D	69.9	Low	81.5	Confident	126 Å²	126	57.3 Å²	57.3	67%	0.674	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	30.4	-166.7	-73.4	9.8	0	0	0	113.3
531	G	63.7	Low	81.3	Confident	67 Å²	67	59.4 Å²	59.4	69%	0.691	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	34.9	176.2	0	0	0	0	0	114.5
532	M	72.5	Confident	81.3	Confident	45 Å²	45	59.4 Å²	59.4	22%	0.222	34%	0.342	C	S	.	.	S	Bend	trans	74.3	51	178.4	-47.6	-66.3	-161.8	0	0	113.8	L481 T490 L492 P493 D527 L528 W534	L481-M532 HydrophobicContact CD2-CE 4.31Å; T490-M532 HydrophobicContact CG2-CE 3.9Å; L492-M532 HydrophobicContact CD2-CE 3.47Å; L492-M532 VanDerWaalsContact CD2-CE 3.47Å; L492-M532 HydrophobicContact CD2-CG 4.38Å; L492-M532 HydrophobicContact CD2-SD 3.28Å; L492-M532 WeakPolarHBondContact CD2-SD 3.45Å; P493-M532 HydrophobicContact CG-CB 4.29Å; D527-M532 VanDerWaalsContact O-CA 3.26Å; D527-M532 WeakPolarHBondContact O-CA 3.43Å; D527-M532 PolarHBondContact O-N 2.59Å; L528-M532 HydrophobicContact CD2-CE 4.23Å; L528-M532 HydrophobicContact CD2-SD 3.49Å; L528-M532 WeakPolarHBondContact CD2-SD 3.14Å; M532-W534 WeakPolarHBondContact O-CZ3 3.26Å
533	S	80.5	Confident	81.2	Confident	53 Å²	53	62 Å²	62	37%	0.371	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	161.4	167.7	87.2	0	0	0	0	110.3	Y526 D527	Y526-S533 CarbonylContact C-O 3.54Å; Y526-S533 WeakPolarHBondContact CA-O 3.42Å; D527-S533 WeakPolarHBondContact CB-OG 3.47Å; D527-S533 PolarHBondContact N-O 2.78Å; D527-S533 PolarHBondContact O-N 3.07Å
534	W	80.9	Confident	81.3	Confident	126 Å²	126	62.1 Å²	62.1	48%	0.477	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	154.6	179.3	62.3	85.9	0	0	0	113.5	P493 L495 V525 Y526 M532	P493-W534 HydrophobicContact CB-CD2 4.38Å; P493-W534 HydrophobicContact CB-CE3 3.8Å; P493-W534 HydrophobicContact CB-CH2 4.02Å; P493-W534 HydrophobicContact CB-CZ3 3.62Å; P493-W534 HydrophobicContact CG-CE3 3.55Å; P493-W534 HydrophobicContact CG-CH2 4.22Å; P493-W534 HydrophobicContact CG-CZ3 3.37Å; L495-W534 HydrophobicContact CD1-CB 4.06Å; L495-W534 HydrophobicContact CD1-CD2 4.05Å; L495-W534 HydrophobicContact CD1-CG 3.53Å; L495-W534 HydrophobicContact CD2-CD2 4.42Å; L495-W534 HydrophobicContact CD2-CZ2 4.13Å; V525-W534 CarbonylContact O-C 3.54Å; V525-W534 WeakPolarHBondContact O-CA 3.21Å; V525-W534 WeakPolarHBondContact O-CB 3.47Å; Y526-W534 HydrophobicContact CD1-CB 3.89Å; Y526-W534 HydrophobicContact CE1-CB 4.21Å; Y526-W534 HydrophobicContact CG-CB 4.47Å; M532-W534 WeakPolarHBondContact O-CZ3 3.26Å
535	K	82.3	Confident	81.3	Confident	113 Å²	113	64.4 Å²	64.4	49%	0.491	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	149.4	169.6	-62.5	-178.1	-170.2	176.6	0	109.9	A524 V525 M573	A524-K535 CarbonylContact C-O 3.51Å; A524-K535 VanDerWaalsContact CA-O 3.3Å; A524-K535 WeakPolarHBondContact CA-O 3.49Å; V525-K535 PolarHBondContact N-O 2.76Å; V525-K535 PolarHBondContact O-N 3.31Å; K535-M573 HydrophobicContact CD-SD 3.65Å; K535-M573 WeakPolarHBondContact CE-SD 3.49Å; K535-M573 PolarHBondContact NZ-SD 3.4Å
536	T	85.8	Confident	81.3	Confident	81 Å²	81	64.1 Å²	64.1	50%	0.497	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.9	-177.7	53.6	0	0	0	0	112.3	L495 L522 L523	L495-T536 HydrophobicContact CD1-CG2 4.19Å; L522-T536 HydrophobicContact CD1-CG2 3.82Å; L522-T536 HydrophobicContact CD2-CG2 4.25Å; L522-T536 HydrophobicContact CG-CG2 4.37Å; L523-T536 CarbonylContact O-C 3.57Å; L523-T536 VanDerWaalsContact O-CA 3.28Å; L523-T536 WeakPolarHBondContact O-CA 3.43Å
537	W	84.5	Confident	81.6	Confident	42 Å²	42	64.8 Å²	64.8	16%	0.159	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	136.7	169.8	-178.3	91.2	0	0	0	109.8	L523 P539 I544 L558 L568 M575	L523-W537 HydrophobicContact CB-CB 4.35Å; L523-W537 HydrophobicContact CB-CE3 4.34Å; L523-W537 HydrophobicContact CD2-CB 4.36Å; L523-W537 PolarHBondContact N-O 2.94Å; L523-W537 PolarHBondContact O-N 2.76Å; W537-P539 HydrophobicContact CH2-CB 3.68Å; W537-P539 HydrophobicContact CH2-CG 4.43Å; W537-P539 HydrophobicContact CZ3-CB 3.83Å; W537-P539 HydrophobicContact CZ3-CG 4.07Å; W537-I544 HydrophobicContact CZ3-CD1 4.27Å; W537-L558 HydrophobicContact CE3-CD1 3.93Å; W537-L558 HydrophobicContact CH2-CD1 4.14Å; W537-L558 HydrophobicContact CZ3-CD1 3.47Å; W537-L558 VanDerWaalsContact CZ3-CD1 3.47Å; W537-L568 HydrophobicContact CD2-CD1 3.79Å; W537-L568 HydrophobicContact CD2-CD2 4.44Å; W537-L568 HydrophobicContact CE3-CD1 3.87Å; W537-L568 HydrophobicContact CG-CD1 4.3Å; W537-L568 HydrophobicContact CH2-CD1 4.3Å; W537-L568 HydrophobicContact CZ2-CD1 4.25Å; W537-L568 HydrophobicContact CZ2-CD2 3.95Å; W537-L568 HydrophobicContact CZ3-CD1 4.12Å; W537-M575 HydrophobicContact CB-CE 3.82Å; W537-M575 HydrophobicContact CG-CE 3.93Å; W537-M575 HydrophobicContact CG-CG 4.47Å
538	Q	84.9	Confident	81.8	Confident	127 Å²	127	65 Å²	65	59%	0.593	38%	0.379	S	S	*	.			trans	-128.4	133.9	179	-66.2	-171.9	-40.2	0	0	109.8	S521 L522	S521-Q538 WeakPolarHBondContact O-CG 3.42Å; L522-Q538 HydrophobicContact CD1-CG 3.46Å; L522-Q538 VanDerWaalsContact CD1-CG 3.46Å
539	P	79.5	Confident	82	Confident	15 Å²	15	64.5 Å²	64.5	10%	0.097	38%	0.376	C	S	.	.			trans	-76.1	140	172.7	30.7	-33.4	0	0	0	111.3	W537 G541 L542 I544 L560	W537-P539 HydrophobicContact CH2-CB 3.68Å; W537-P539 HydrophobicContact CH2-CG 4.43Å; W537-P539 HydrophobicContact CZ3-CB 3.83Å; W537-P539 HydrophobicContact CZ3-CG 4.07Å; P539-G541 PolarHBondContact O-N 2.78Å; P539-L542 HydrophobicContact CB-CB 4.17Å; P539-L542 WeakPolarHBondContact CG-O 3.44Å; P539-I544 HydrophobicContact CG-CG1 4.1Å; P539-L560 HydrophobicContact CB-CD2 4.04Å; P539-L560 HydrophobicContact CG-CD2 4.33Å
540	D	76.7	Confident	82.5	Confident	157 Å²	157	60.7 Å²	60.7	84%	0.84	35%	0.353	S	S	*	.	S	Bend	trans	-66.5	95.7	-178.5	-65.2	-38.3	0	0	0	112.4	L542	D540-L542 PolarHBondContact O-N 3.09Å; D540-L542 VanDerWaalsContact O-N 3.15Å
541	G	80.5	Confident	83	Confident	86 Å²	86	57.3 Å²	57.3	89%	0.887	34%	0.337	S	S	*	.	S	Bend	trans	68.6	9.4	175.4	0	0	0	0	0	115.3	P539	P539-G541 PolarHBondContact O-N 2.78Å
542	L	83.6	Confident	83.7	Confident	48 Å²	48	55.9 Å²	55.9	25%	0.251	32%	0.317	S	S	.	.			trans	-108.9	168.6	177.7	-62.2	172.1	0	0	0	110.5	P539 D540 L560 D562	P539-L542 HydrophobicContact CB-CB 4.17Å; P539-L542 WeakPolarHBondContact CG-O 3.44Å; D540-L542 PolarHBondContact O-N 3.09Å; D540-L542 VanDerWaalsContact O-N 3.15Å; L542-L560 HydrophobicContact CD1-CB 4.32Å; L542-L560 HydrophobicContact CD1-CD1 3.86Å; L542-D562 HydrophobicContact CD1-CB 4.3Å; L542-D562 WeakPolarHBondContact CD1-OD2 3.38Å; L542-D562 HydrophobicContact CD2-CB 3.91Å
543	T	87	Confident	83.8	Confident	66 Å²	66	53.9 Å²	53.9	41%	0.405	31%	0.308	S	S	.	.			trans	-120.2	142.2	174.5	62	0	0	0	0	110.7	D520 L560 S561	D520-T543 CarbonylContact O-C 3.59Å; D520-T543 WeakPolarHBondContact O-CA 3.27Å; D520-T543 VanDerWaalsContact O-CB 3.23Å; D520-T543 WeakPolarHBondContact O-CB 3.47Å; T543-L560 CarbonylContact O-C 3.52Å; T543-L560 WeakPolarHBondContact O-CA 3.29Å; T543-S561 PolarHBondContact N-OG 3.33Å; T543-S561 PolarHBondContact O-N 2.88Å; T543-S561 VanDerWaalsContact OG1-CB 3.27Å; T543-S561 WeakPolarHBondContact OG1-CB 3.45Å; T543-S561 PolarHBondContact OG1-OG 2.88Å
544	I	89.2	Confident	83.6	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	129.7	174.2	-52.3	171.5	0	0	0	108.4	L501 I518 D520 L523 W537 P539 L558 L560	L501-I544 WeakPolarHBondContact CD1-O 3.25Å; I518-I544 HydrophobicContact CG2-CB 4.3Å; I518-I544 HydrophobicContact CG2-CD1 3.78Å; I518-I544 HydrophobicContact CG2-CG2 3.77Å; D520-I544 PolarHBondContact O-N 2.67Å; L523-I544 HydrophobicContact CB-CD1 4.49Å; W537-I544 HydrophobicContact CZ3-CD1 4.27Å; P539-I544 HydrophobicContact CG-CG1 4.1Å; I544-L558 HydrophobicContact CD1-CD1 4.04Å; I544-L558 HydrophobicContact CG2-CB 4.47Å; I544-L558 HydrophobicContact CG2-CD2 4.34Å; I544-L560 HydrophobicContact CG1-CD2 4.03Å
545	T	87.2	Confident	83.6	Confident	48 Å²	48	48.4 Å²	48.4	29%	0.294	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-43.6	-175.9	55	0	0	0	0	112	A559	T545-A559 PolarHBondContact N-O 2.86Å; T545-A559 WeakPolarHBondContact OG1-CB 3.48Å; T545-A559 PolarHBondContact OG1-O 2.82Å
546	C	88.5	Confident	83.8	Confident	13 Å²	13	43 Å²	43	9%	0.088	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	164.6	170.9	62.8	0	0	0	0	110.2	A559 I588	C546-A559 PolarHBondContact O-N 2.85Å; C546-A559 WeakPolarHBondContact SG-CB 3.38Å; C546-I588 VanDerWaalsContact CB-O 3.24Å; C546-I588 WeakPolarHBondContact CB-O 3.2Å
547	A	90.6	Very high	83.9	Confident	14 Å²	14	39.2 Å²	39.2	12%	0.116	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	155.4	-175	0	0	0	0	0	111.4	I518 A557 L558	I518-A547 HydrophobicContact CD1-CB 3.32Å; I518-A547 HydrophobicContact CG2-CB 4.3Å; A547-A557 CarbonylContact C-O 3.55Å; A547-A557 WeakPolarHBondContact CA-O 3.15Å; A547-L558 HydrophobicContact CB-CD2 3.45Å; A547-L558 VanDerWaalsContact CB-CD2 3.45Å
548	D	89.7	Confident	84.1	Confident	28 Å²	28	37.2 Å²	37.2	15%	0.15	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	161.3	168	-163.9	22.8	0	0	0	111.3	S556 A557 L590 H591 F592	D548-S556 WeakPolarHBondContact O-CA 3.24Å; D548-S556 PolarHBondContact O-OG 3.01Å; D548-S556 VanDerWaalsContact O-OG 3.09Å; D548-A557 PolarHBondContact N-O 2.89Å; D548-A557 PolarHBondContact O-N 3.36Å; D548-L590 HydrophobicContact CB-CB 4.04Å; D548-L590 WeakPolarHBondContact CB-O 3.23Å; D548-H591 VanDerWaalsContact OD2-CA 3.24Å; D548-H591 WeakPolarHBondContact OD2-CA 3.49Å; D548-F592 HydrophobicContact CB-CD2 4.05Å; D548-F592 HydrophobicContact CB-CE2 4.4Å; D548-F592 PolarHBondContact OD2-N 2.99Å
549	L	87.7	Confident	84.3	Confident	15 Å²	15	31.1 Å²	31.1	8%	0.079	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.9	179	-172.3	70.8	0	0	0	109.6	F502 V516 F592	F502-L549 HydrophobicContact CE1-CB 4.46Å; F502-L549 HydrophobicContact CZ-CB 4.19Å; V516-L549 HydrophobicContact CG2-CD2 4.37Å; L549-F592 VanDerWaalsContact C-CD2 3.47Å
550	S	86.8	Confident	84.7	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.007	20%	0.2	C	C	.	.			trans	-58.6	148.6	174.9	56.3	0	0	0	0	111.4	S552 G553 V555	S550-S552 PolarHBondContact O-N 2.92Å; S550-S552 VanDerWaalsContact O-N 3.14Å; S550-S552 PolarHBondContact OG-OG 2.91Å; S550-G553 PolarHBondContact O-N 2.88Å; S550-G553 PolarHBondContact OG-N 3.39Å; S550-V555 VanDerWaalsContact CB-O 3.25Å; S550-V555 WeakPolarHBondContact CB-O 3.46Å; S550-V555 PolarHBondContact N-O 3.49Å; S550-V555 PolarHBondContact OG-N 3.26Å; S550-V555 PolarHBondContact OG-O 2.79Å
551	P	81	Confident	85.1	Confident	54 Å²	54	25.6 Å²	25.6	35%	0.351	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.8	176.2	-23.2	32.4	0	0	0	114.4	P507 T509 S593	P507-P551 VanDerWaalsContact CB-O 3.26Å; P507-P551 WeakPolarHBondContact CB-O 3.34Å; P507-P551 WeakPolarHBondContact CG-O 3.29Å; T509-P551 PolarHBondContact OG1-O 3.36Å; P551-S593 WeakPolarHBondContact CG-O 3.29Å
552	S	77.4	Confident	84.9	Confident	38 Å²	38	22.7 Å²	22.7	27%	0.266	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-25.6	173.6	59.1	0	0	0	0	112.4	T509 S550 C554	T509-S552 PolarHBondContact OG1-O 3.46Å; S550-S552 PolarHBondContact O-N 2.92Å; S550-S552 VanDerWaalsContact O-N 3.14Å; S550-S552 PolarHBondContact OG-OG 2.91Å; S552-C554 PolarHBondContact O-N 2.86Å; S552-C554 PolarHBondContact OG-N 2.89Å
553	G	75.2	Confident	84.8	Confident	3 Å²	3	21 Å²	21	3%	0.031	14%	0.135	C	C	.	.	S	Bend	trans	82.6	-7.5	-173.4	0	0	0	0	0	113.9	S550	S550-G553 PolarHBondContact O-N 2.88Å; S550-G553 PolarHBondContact OG-N 3.39Å
554	C	76.5	Confident	84.4	Confident	45 Å²	45	18.1 Å²	18.1	30%	0.304	12%	0.117	S	C	.	.	S	Bend	trans	-80	-20.4	-175.2	-66.1	0	0	0	0	113.3	S552 K569 M570	S552-C554 PolarHBondContact O-N 2.86Å; S552-C554 PolarHBondContact OG-N 2.89Å; C554-K569 CarbonylContact O-C 3.59Å; C554-K569 WeakPolarHBondContact O-CA 3.46Å; C554-M570 WeakPolarHBondContact O-CB 3.44Å; C554-M570 PolarHBondContact O-N 2.87Å
555	V	81.4	Confident	84.2	Confident	19 Å²	19	17.9 Å²	17.9	12%	0.115	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.7	-176.6	-172.5	0	0	0	0	110.8	S550 M567 L568 F592 E615	S550-V555 VanDerWaalsContact CB-O 3.25Å; S550-V555 WeakPolarHBondContact CB-O 3.46Å; S550-V555 PolarHBondContact N-O 3.49Å; S550-V555 PolarHBondContact OG-N 3.26Å; S550-V555 PolarHBondContact OG-O 2.79Å; V555-M567 HydrophobicContact CG1-CB 4.27Å; V555-M567 HydrophobicContact CG1-CE 3.48Å; V555-M567 VanDerWaalsContact CG1-CE 3.48Å; V555-L568 CarbonylContact C-O 3.49Å; V555-L568 WeakPolarHBondContact CA-O 3.43Å; V555-F592 HydrophobicContact CG1-CZ 4.24Å; V555-E615 HydrophobicContact CG2-CG 4.37Å
556	S	85.5	Confident	84	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.5	169.2	-176.4	0	0	0	0	110.6	D548 M567 L568	D548-S556 WeakPolarHBondContact O-CA 3.24Å; D548-S556 PolarHBondContact O-OG 3.01Å; D548-S556 VanDerWaalsContact O-OG 3.09Å; S556-M567 CarbonylContact O-C 3.57Å; S556-M567 WeakPolarHBondContact O-CA 3.06Å; S556-L568 PolarHBondContact N-O 2.84Å; S556-L568 PolarHBondContact O-N 3.41Å
557	A	88.3	Confident	83.9	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.7	173.7	0	0	0	0	0	109.3	A547 D548 M567 L590 F592 L599	A547-A557 CarbonylContact C-O 3.55Å; A547-A557 WeakPolarHBondContact CA-O 3.15Å; D548-A557 PolarHBondContact N-O 2.89Å; D548-A557 PolarHBondContact O-N 3.36Å; A557-M567 HydrophobicContact CB-CE 3.72Å; A557-M567 HydrophobicContact CB-SD 3.64Å; A557-L590 HydrophobicContact CB-CD1 3.93Å; A557-F592 HydrophobicContact CB-CE2 3.64Å; A557-F592 HydrophobicContact CB-CZ 3.75Å; A557-L599 HydrophobicContact CB-CD1 3.89Å; A557-L599 HydrophobicContact CB-CD2 4.07Å
558	L	88.8	Confident	83.4	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.9	179.4	-56.4	-174.4	0	0	0	110.7	I518 L523 W537 I544 A547 I565 T566 L568	I518-L558 HydrophobicContact CD1-CD2 3.76Å; L523-L558 HydrophobicContact CD1-CD1 4.01Å; L523-L558 HydrophobicContact CD1-CD2 4.07Å; W537-L558 HydrophobicContact CE3-CD1 3.93Å; W537-L558 HydrophobicContact CH2-CD1 4.14Å; W537-L558 HydrophobicContact CZ3-CD1 3.47Å; W537-L558 VanDerWaalsContact CZ3-CD1 3.47Å; I544-L558 HydrophobicContact CD1-CD1 4.04Å; I544-L558 HydrophobicContact CG2-CB 4.47Å; I544-L558 HydrophobicContact CG2-CD2 4.34Å; A547-L558 HydrophobicContact CB-CD2 3.45Å; A547-L558 VanDerWaalsContact CB-CD2 3.45Å; L558-I565 CarbonylContact O-C 3.58Å; L558-I565 WeakPolarHBondContact O-CA 3.23Å; L558-T566 PolarHBondContact N-O 3.23Å; L558-T566 PolarHBondContact O-N 2.86Å; L558-L568 HydrophobicContact CD1-CD1 3.3Å; L558-L568 HydrophobicContact CD1-CG 4.32Å; L558-L568 HydrophobicContact CG-CD1 4.01Å
559	A	89.1	Confident	82.9	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	128.1	167.6	0	0	0	0	0	110.4	T545 C546 S564 F587 L590	T545-A559 PolarHBondContact N-O 2.86Å; T545-A559 WeakPolarHBondContact OG1-CB 3.48Å; T545-A559 PolarHBondContact OG1-O 2.82Å; C546-A559 PolarHBondContact O-N 2.85Å; C546-A559 WeakPolarHBondContact SG-CB 3.38Å; A559-S564 CarbonylContact C-O 3.53Å; A559-S564 WeakPolarHBondContact CA-O 3.41Å; A559-F587 HydrophobicContact CB-CB 3.89Å; A559-F587 HydrophobicContact CB-CD2 4.04Å; A559-F587 HydrophobicContact CB-CG 4.35Å; A559-L590 HydrophobicContact CB-CD1 4.12Å
560	L	87.8	Confident	82.2	Confident	1 Å²	1	18.8 Å²	18.8	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	163.5	-178.3	-58	-179.8	0	0	0	111.9	P539 L542 T543 I544 D562 C563 S564 T566	P539-L560 HydrophobicContact CB-CD2 4.04Å; P539-L560 HydrophobicContact CG-CD2 4.33Å; L542-L560 HydrophobicContact CD1-CB 4.32Å; L542-L560 HydrophobicContact CD1-CD1 3.86Å; T543-L560 CarbonylContact O-C 3.52Å; T543-L560 WeakPolarHBondContact O-CA 3.29Å; I544-L560 HydrophobicContact CG1-CD2 4.03Å; L560-D562 VanDerWaalsContact CB-OD1 3.28Å; L560-D562 WeakPolarHBondContact CB-OD1 3.49Å; L560-D562 PolarHBondContact O-N 2.96Å; L560-C563 WeakPolarHBondContact O-CA 3.22Å; L560-C563 PolarHBondContact O-N 2.79Å; L560-S564 PolarHBondContact N-O 3.35Å; L560-T566 WeakPolarHBondContact CD1-OG1 3.42Å
561	S	85.2	Confident	81.1	Confident	54 Å²	54	22.2 Å²	22.2	38%	0.378	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-17.3	-179.2	53.1	0	0	0	0	114.7	T543 C563	T543-S561 PolarHBondContact N-OG 3.33Å; T543-S561 PolarHBondContact O-N 2.88Å; T543-S561 VanDerWaalsContact OG1-CB 3.27Å; T543-S561 WeakPolarHBondContact OG1-CB 3.45Å; T543-S561 PolarHBondContact OG1-OG 2.88Å; S561-C563 PolarHBondContact O-N 3.43Å
562	D	77	Confident	79.7	Confident	26 Å²	26	27 Å²	27	14%	0.139	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	7.3	168.8	68.9	-8	0	0	0	113.4	L542 L560 S564 Y939	L542-D562 HydrophobicContact CD1-CB 4.3Å; L542-D562 WeakPolarHBondContact CD1-OD2 3.38Å; L542-D562 HydrophobicContact CD2-CB 3.91Å; L560-D562 VanDerWaalsContact CB-OD1 3.28Å; L560-D562 WeakPolarHBondContact CB-OD1 3.49Å; L560-D562 PolarHBondContact O-N 2.96Å; D562-S564 VanDerWaalsContact C-N 3.25Å; D562-S564 PolarHBondContact O-N 3.03Å; D562-S564 VanDerWaalsContact OD1-CB 3.24Å; D562-S564 WeakPolarHBondContact OD1-CB 3.23Å; D562-S564 PolarHBondContact OD1-N 3.43Å; D562-S564 PolarHBondContact OD1-OG 2.75Å; D562-S564 PolarHBondContact OD2-OG 2.82Å; D562-Y939 PolarHBondContact O-OH 3.27Å; D562-Y939 PolarHBondContact OD2-OH 2.88Å
563	C	79.9	Confident	78.2	Confident	13 Å²	13	32 Å²	32	9%	0.088	17%	0.173	C	C	.	.	S	Bend	trans	62.8	28.8	-177.6	-53.4	0	0	0	0	113.1	L560 S561 Q583 P586 F587	L560-C563 WeakPolarHBondContact O-CA 3.22Å; L560-C563 PolarHBondContact O-N 2.79Å; S561-C563 PolarHBondContact O-N 3.43Å; C563-Q583 HydrophobicContact CB-CB 4.47Å; C563-Q583 WeakPolarHBondContact CB-O 3.22Å; C563-Q583 PolarHBondContact O-N 2.92Å; C563-P586 VanDerWaalsContact SG-CA 3.6Å; C563-P586 VanDerWaalsContact SG-N 3.38Å; C563-F587 WeakPolarHBondContact O-CE2 3.36Å
564	S	79.4	Confident	76.9	Confident	4 Å²	4	38 Å²	38	3%	0.028	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	152.7	169.3	70	0	0	0	0	111.9	A559 L560 D562 T581	A559-S564 CarbonylContact C-O 3.53Å; A559-S564 WeakPolarHBondContact CA-O 3.41Å; L560-S564 PolarHBondContact N-O 3.35Å; D562-S564 VanDerWaalsContact C-N 3.25Å; D562-S564 PolarHBondContact O-N 3.03Å; D562-S564 VanDerWaalsContact OD1-CB 3.24Å; D562-S564 WeakPolarHBondContact OD1-CB 3.23Å; D562-S564 PolarHBondContact OD1-N 3.43Å; D562-S564 PolarHBondContact OD1-OG 2.75Å; D562-S564 PolarHBondContact OD2-OG 2.82Å; S564-T581 VanDerWaalsContact CA-O 3.28Å; S564-T581 WeakPolarHBondContact CA-O 3.17Å
565	I	85.8	Confident	75.9	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.8	166.6	-59.5	175.7	0	0	0	107.7	L558 M567 S579 L580 T581 F587 L590 L599 A601 F611	L558-I565 CarbonylContact O-C 3.58Å; L558-I565 WeakPolarHBondContact O-CA 3.23Å; I565-M567 HydrophobicContact CG2-SD 4.12Å; I565-S579 CarbonylContact O-C 3.56Å; I565-S579 WeakPolarHBondContact O-CA 3.19Å; I565-L580 HydrophobicContact CB-CB 4.18Å; I565-L580 HydrophobicContact CG2-CB 4.25Å; I565-L580 HydrophobicContact CG2-CD2 4.33Å; I565-L580 PolarHBondContact O-N 3.14Å; I565-T581 HydrophobicContact CB-CG2 4.22Å; I565-T581 HydrophobicContact CD1-CG2 3.78Å; I565-T581 HydrophobicContact CG1-CG2 3.94Å; I565-T581 PolarHBondContact N-O 3.39Å; I565-T581 VanDerWaalsContact N-O 3.12Å; I565-F587 HydrophobicContact CD1-CD1 4.47Å; I565-F587 HydrophobicContact CD1-CD2 4.32Å; I565-F587 HydrophobicContact CD1-CE1 4.06Å; I565-F587 HydrophobicContact CD1-CE2 3.9Å; I565-F587 HydrophobicContact CD1-CZ 3.75Å; I565-F587 HydrophobicContact CG1-CD2 3.93Å; I565-F587 HydrophobicContact CG1-CE2 3.58Å; I565-F587 HydrophobicContact CG1-CZ 3.95Å; I565-L590 HydrophobicContact CD1-CD2 3.73Å; I565-L590 HydrophobicContact CG1-CD2 4.29Å; I565-L590 HydrophobicContact CG2-CD1 4.38Å; I565-L599 HydrophobicContact CD1-CD2 4.44Å; I565-L599 HydrophobicContact CG2-CD2 3.99Å; I565-A601 HydrophobicContact CD1-CB 3.65Å; I565-F611 HydrophobicContact CD1-CE2 4.19Å
566	T	83.1	Confident	74.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.9	175.7	-65.9	0	0	0	0	109.4	L558 L560 L568 K577 S578	L558-T566 PolarHBondContact N-O 3.23Å; L558-T566 PolarHBondContact O-N 2.86Å; L560-T566 WeakPolarHBondContact CD1-OG1 3.42Å; T566-L568 HydrophobicContact CG2-CD2 4.01Å; T566-L568 HydrophobicContact CG2-CG 4.21Å; T566-K577 HydrophobicContact CG2-CD 4.31Å; T566-K577 HydrophobicContact CG2-CG 3.58Å; T566-S578 CarbonylContact C-O 3.46Å; T566-S578 WeakPolarHBondContact CA-O 3.46Å
567	M	84.7	Confident	73.5	Confident	6 Å²	6	47.3 Å²	47.3	3%	0.03	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	133.4	169.2	-48.4	-58.8	-59.7	0	0	108.6	V555 S556 A557 I565 S578 F592 L599 V614	V555-M567 HydrophobicContact CG1-CB 4.27Å; V555-M567 HydrophobicContact CG1-CE 3.48Å; V555-M567 VanDerWaalsContact CG1-CE 3.48Å; S556-M567 CarbonylContact O-C 3.57Å; S556-M567 WeakPolarHBondContact O-CA 3.06Å; A557-M567 HydrophobicContact CB-CE 3.72Å; A557-M567 HydrophobicContact CB-SD 3.64Å; I565-M567 HydrophobicContact CG2-SD 4.12Å; M567-S578 WeakPolarHBondContact CB-OG 3.03Å; M567-S578 PolarHBondContact N-O 2.59Å; M567-S578 PolarHBondContact O-N 3.07Å; M567-S578 VanDerWaalsContact O-N 3.15Å; M567-F592 HydrophobicContact CE-CE1 3.73Å; M567-F592 HydrophobicContact CE-CZ 3.37Å; M567-L599 HydrophobicContact SD-CD2 4.18Å; M567-V614 HydrophobicContact CE-CG1 3.42Å; M567-V614 VanDerWaalsContact CE-CG1 3.42Å; M567-V614 HydrophobicContact CG-CG1 3.87Å; M567-V614 HydrophobicContact SD-CG1 3.68Å
568	L	81.4	Confident	72.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.4	175.8	-64.4	172.5	0	0	0	108.2	L523 W537 V555 S556 L558 T566 M570 M575	L523-L568 HydrophobicContact CD1-CD1 4.13Å; W537-L568 HydrophobicContact CD2-CD1 3.79Å; W537-L568 HydrophobicContact CD2-CD2 4.44Å; W537-L568 HydrophobicContact CE3-CD1 3.87Å; W537-L568 HydrophobicContact CG-CD1 4.3Å; W537-L568 HydrophobicContact CH2-CD1 4.3Å; W537-L568 HydrophobicContact CZ2-CD1 4.25Å; W537-L568 HydrophobicContact CZ2-CD2 3.95Å; W537-L568 HydrophobicContact CZ3-CD1 4.12Å; V555-L568 CarbonylContact C-O 3.49Å; V555-L568 WeakPolarHBondContact CA-O 3.43Å; S556-L568 PolarHBondContact N-O 2.84Å; S556-L568 PolarHBondContact O-N 3.41Å; L558-L568 HydrophobicContact CD1-CD1 3.3Å; L558-L568 HydrophobicContact CD1-CG 4.32Å; L558-L568 HydrophobicContact CG-CD1 4.01Å; T566-L568 HydrophobicContact CG2-CD2 4.01Å; T566-L568 HydrophobicContact CG2-CG 4.21Å; L568-M570 HydrophobicContact CB-SD 4.35Å; L568-M575 HydrophobicContact CB-CE 3.89Å; L568-M575 HydrophobicContact CD1-CE 3.68Å; L568-M575 HydrophobicContact CD2-CB 4.37Å; L568-M575 HydrophobicContact CD2-CE 4.33Å; L568-M575 HydrophobicContact CG-CE 4.18Å
569	K	78.1	Confident	71.3	Confident	92 Å²	92	51.9 Å²	51.9	40%	0.4	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	132.5	168.6	-166	173.9	-179.4	177.5	0	108.8	C554 D571 C576	C554-K569 CarbonylContact O-C 3.59Å; C554-K569 WeakPolarHBondContact O-CA 3.46Å; K569-D571 WeakPolarHBondContact CE-OD2 3.34Å; K569-D571 HydrophobicContact CG-CB 4.31Å; K569-C576 PolarHBondContact N-O 2.83Å
570	M	73.4	Confident	70.2	Confident	39 Å²	39	52.4 Å²	52.4	19%	0.192	28%	0.283	C	S	.	.			trans	-97.9	9.2	-172.9	-55.9	-56.8	-66	0	0	112.8	L523 V525 C554 L568 M575	L523-M570 HydrophobicContact CD2-CE 4.32Å; V525-M570 HydrophobicContact CG2-CE 3.34Å; C554-M570 WeakPolarHBondContact O-CB 3.44Å; C554-M570 PolarHBondContact O-N 2.87Å; L568-M570 HydrophobicContact CB-SD 4.35Å; M570-M575 HydrophobicContact CE-CE 4.16Å; M570-M575 HydrophobicContact CE-SD 4.29Å; M570-M575 HydrophobicContact SD-CE 3.72Å; M570-M575 HydrophobicContact SD-SD 3.94Å
571	D	63.7	Low	69.2	Low	73 Å²	73	52.3 Å²	52.3	39%	0.39	28%	0.283	S	S	.	.	S	Bend	trans	-92.2	132.1	179.7	-57.2	-29.5	0	0	0	110.7	K569	K569-D571 WeakPolarHBondContact CE-OD2 3.34Å; K569-D571 HydrophobicContact CG-CB 4.31Å
572	D	52.4	Low	68	Low	154 Å²	154	50.2 Å²	50.2	82%	0.824	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	60.3	167.7	-73	-22.1	0	0	0	118.6	D574	D572-D574 PolarHBondContact O-N 3.2Å
573	M	44.7	Very low	67.6	Low	143 Å²	143	50.9 Å²	50.9	70%	0.704	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	-16.6	160.3	-70	-71.4	-70.5	0	0	118.4	K535	K535-M573 HydrophobicContact CD-SD 3.65Å; K535-M573 WeakPolarHBondContact CE-SD 3.49Å; K535-M573 PolarHBondContact NZ-SD 3.4Å
574	D	49.5	Very low	66.9	Low	129 Å²	129	52.9 Å²	52.9	69%	0.69	28%	0.276	S	S	*	.			trans	-101.8	101.2	172.6	-92.5	-18.8	0	0	0	107.9	D572 C576	D572-D574 PolarHBondContact O-N 3.2Å; D574-C576 PolarHBondContact O-N 3.33Å
575	M	54.5	Low	66.6	Low	57 Å²	57	55 Å²	55	28%	0.281	28%	0.284	S	S	.	.			trans	-68.4	82.5	174	-64.5	-71.6	-80.3	0	0	108.5	L523 W537 L568 M570 K577	L523-M575 HydrophobicContact CD2-CE 4.25Å; W537-M575 HydrophobicContact CB-CE 3.82Å; W537-M575 HydrophobicContact CG-CE 3.93Å; W537-M575 HydrophobicContact CG-CG 4.47Å; L568-M575 HydrophobicContact CB-CE 3.89Å; L568-M575 HydrophobicContact CD1-CE 3.68Å; L568-M575 HydrophobicContact CD2-CB 4.37Å; L568-M575 HydrophobicContact CD2-CE 4.33Å; L568-M575 HydrophobicContact CG-CE 4.18Å; M570-M575 HydrophobicContact CE-CE 4.16Å; M570-M575 HydrophobicContact CE-SD 4.29Å; M570-M575 HydrophobicContact SD-CE 3.72Å; M570-M575 HydrophobicContact SD-SD 3.94Å; M575-K577 PolarHBondContact O-N 3.19Å
576	C	51.7	Low	66.4	Low	78 Å²	78	57.6 Å²	57.6	53%	0.527	30%	0.3	S	S	.	.			trans	-65.5	122	177.7	-74.7	0	0	0	0	109.4	K569 D574	K569-C576 PolarHBondContact N-O 2.83Å; D574-C576 PolarHBondContact O-N 3.33Å
577	K	65.8	Low	66.7	Low	124 Å²	124	58 Å²	58	54%	0.539	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	119.8	-178.9	-174.5	-176.1	-179.3	177.9	0	109.5	T566 M575	T566-K577 HydrophobicContact CG2-CD 4.31Å; T566-K577 HydrophobicContact CG2-CG 3.58Å; M575-K577 PolarHBondContact O-N 3.19Å
578	S	64.7	Low	66.7	Low	39 Å²	39	59.7 Å²	59.7	27%	0.273	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.9	158.5	69.1	0	0	0	0	109.7	T566 M567	T566-S578 CarbonylContact C-O 3.46Å; T566-S578 WeakPolarHBondContact CA-O 3.46Å; M567-S578 WeakPolarHBondContact CB-OG 3.03Å; M567-S578 PolarHBondContact N-O 2.59Å; M567-S578 PolarHBondContact O-N 3.07Å; M567-S578 VanDerWaalsContact O-N 3.15Å
579	S	65	Low	67.1	Low	58 Å²	58	61.9 Å²	61.9	41%	0.406	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	120.4	173.9	56	0	0	0	0	109.2	I565	I565-S579 CarbonylContact O-C 3.56Å; I565-S579 WeakPolarHBondContact O-CA 3.19Å
580	L	67.3	Low	67.8	Low	10 Å²	10	57.8 Å²	57.8	5%	0.052	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-50.1	-175.5	-168.8	76	0	0	0	111.9	K269 I565 L599 F611 V614	K269-L580 HydrophobicContact CB-CD1 4.18Å; K269-L580 HydrophobicContact CD-CD1 4.1Å; K269-L580 PolarHBondContact N-O 3.42Å; I565-L580 HydrophobicContact CB-CB 4.18Å; I565-L580 HydrophobicContact CG2-CB 4.25Å; I565-L580 HydrophobicContact CG2-CD2 4.33Å; I565-L580 PolarHBondContact O-N 3.14Å; L580-L599 HydrophobicContact CD2-CD2 3.73Å; L580-F611 HydrophobicContact CD1-CD1 4.35Å; L580-F611 HydrophobicContact CD2-CB 3.82Å; L580-F611 HydrophobicContact CD2-CD1 3.59Å; L580-F611 HydrophobicContact CD2-CD2 3.46Å; L580-F611 VanDerWaalsContact CD2-CD2 3.46Å; L580-F611 HydrophobicContact CD2-CE1 3.97Å; L580-F611 HydrophobicContact CD2-CE2 3.86Å; L580-F611 HydrophobicContact CD2-CG 3.33Å; L580-F611 HydrophobicContact CD2-CZ 4.11Å; L580-F611 HydrophobicContact CG-CB 4.49Å; L580-F611 HydrophobicContact CG-CD1 3.76Å; L580-F611 HydrophobicContact CG-CD2 4.49Å; L580-F611 HydrophobicContact CG-CE1 4.07Å; L580-F611 HydrophobicContact CG-CG 4.01Å; L580-V614 HydrophobicContact CD1-CG1 3.9Å; L580-V614 HydrophobicContact CD1-CG2 4.18Å; L580-V614 HydrophobicContact CD2-CG2 4.48Å
581	T	66.9	Low	68.6	Low	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	156.9	-177.5	-175.7	0	0	0	0	109.6	S564 I565 Q583 F587 F611	S564-T581 VanDerWaalsContact CA-O 3.28Å; S564-T581 WeakPolarHBondContact CA-O 3.17Å; I565-T581 HydrophobicContact CB-CG2 4.22Å; I565-T581 HydrophobicContact CD1-CG2 3.78Å; I565-T581 HydrophobicContact CG1-CG2 3.94Å; I565-T581 PolarHBondContact N-O 3.39Å; I565-T581 VanDerWaalsContact N-O 3.12Å; T581-Q583 HydrophobicContact CG2-CG 4.38Å; T581-Q583 PolarHBondContact OG1-NE2 3.2Å; T581-F587 HydrophobicContact CG2-CE2 4.45Å; T581-F587 HydrophobicContact CG2-CZ 3.98Å; T581-F611 HydrophobicContact CG2-CE1 4.15Å; T581-F611 HydrophobicContact CG2-CE2 4.32Å; T581-F611 HydrophobicContact CG2-CZ 3.55Å
582	T	58.2	Low	69.9	Low	10 Å²	10	55 Å²	55	6%	0.061	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129.5	165.7	61.5	0	0	0	0	109.4	Y939	T582-Y939 HydrophobicContact CG2-CD1 4.17Å; T582-Y939 HydrophobicContact CG2-CD2 3.65Å; T582-Y939 HydrophobicContact CG2-CE1 3.81Å; T582-Y939 HydrophobicContact CG2-CE2 3.3Å; T582-Y939 HydrophobicContact CG2-CG 4.08Å; T582-Y939 WeakPolarHBondContact OG1-CD2 3.39Å; T582-Y939 WeakPolarHBondContact OG1-CE2 3.2Å
583	Q	68.5	Low	71.6	Confident	39 Å²	39	47.8 Å²	47.8	18%	0.182	25%	0.249	C	C	.	.			trans	-125.9	175	-178.3	-64.4	-65	-38.7	0	0	109.5	C563 T581 F587 L609	C563-Q583 HydrophobicContact CB-CB 4.47Å; C563-Q583 WeakPolarHBondContact CB-O 3.22Å; C563-Q583 PolarHBondContact O-N 2.92Å; T581-Q583 HydrophobicContact CG2-CG 4.38Å; T581-Q583 PolarHBondContact OG1-NE2 3.2Å; Q583-F587 HydrophobicContact CB-CE2 4.41Å; Q583-F587 HydrophobicContact CB-CZ 4.14Å; Q583-F587 HydrophobicContact CG-CE2 4.35Å; Q583-F587 HydrophobicContact CG-CZ 3.68Å; Q583-L609 HydrophobicContact CG-CD2 4.41Å
584	Y	65.6	Low	73.4	Confident	56 Å²	56	45.2 Å²	45.2	22%	0.22	24%	0.241	C	C	.	.	S	Bend	trans	-105.2	-3	179	-88.3	-121.9	0	0	0	113.3	S920 K938	Y584-S920 WeakPolarHBondContact CD2-OG 3.46Å; Y584-S920 WeakPolarHBondContact CE2-OG 3.46Å; Y584-S920 VanDerWaalsContact CZ-CB 3.47Å; Y584-S920 PolarHBondContact OH-O 2.88Å; Y584-K938 HydrophobicContact CE2-CB 4.43Å
585	R	74	Confident	74.9	Confident	49 Å²	49	43.3 Å²	43.3	19%	0.185	24%	0.237	C	C	.	.	S	Bend	trans	-126.2	140	-179.8	-69.9	177.1	171.5	174.8	-6.6	108.8	R603 D605 L882	R585-R603 HydrophobicContact CB-CG 3.85Å; R585-D605 WeakPolarHBondContact CD-OD2 3.2Å; R585-D605 IonicContact CZ-OD2 2.67Å; R585-D605 IonicContact NE-OD2 4Å; R585-D605 IonicContact NH1-OD2 2.66Å; R585-D605 PolarHBondContact NH1-OD2 3.48Å; R585-L882 PolarHBondContact NH2-O 3.38Å; R585-L882 VanDerWaalsContact NH2-O 3.07Å
586	P	82.2	Confident	76.1	Confident	53 Å²	53	40.6 Å²	40.6	34%	0.344	22%	0.224	S	C	.	.			trans	-67.8	152.4	-175.7	27.2	-34.1	0	0	0	111.1	C563 R603 N604	C563-P586 VanDerWaalsContact SG-CA 3.6Å; C563-P586 VanDerWaalsContact SG-N 3.38Å; P586-R603 WeakPolarHBondContact O-CG 3.21Å; P586-N604 HydrophobicContact CG-CB 4.09Å; P586-N604 WeakPolarHBondContact O-CB 3.49Å; P586-N604 PolarHBondContact O-N 2.85Å
587	F	87.7	Confident	77.7	Confident	9 Å²	9	38.1 Å²	38.1	4%	0.039	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	144.5	171.9	-62.6	-78.8	0	0	0	110.2	A559 C563 I565 T581 Q583 A601 L602 R603 L609	A559-F587 HydrophobicContact CB-CB 3.89Å; A559-F587 HydrophobicContact CB-CD2 4.04Å; A559-F587 HydrophobicContact CB-CG 4.35Å; C563-F587 WeakPolarHBondContact O-CE2 3.36Å; I565-F587 HydrophobicContact CD1-CD1 4.47Å; I565-F587 HydrophobicContact CD1-CD2 4.32Å; I565-F587 HydrophobicContact CD1-CE1 4.06Å; I565-F587 HydrophobicContact CD1-CE2 3.9Å; I565-F587 HydrophobicContact CD1-CZ 3.75Å; I565-F587 HydrophobicContact CG1-CD2 3.93Å; I565-F587 HydrophobicContact CG1-CE2 3.58Å; I565-F587 HydrophobicContact CG1-CZ 3.95Å; T581-F587 HydrophobicContact CG2-CE2 4.45Å; T581-F587 HydrophobicContact CG2-CZ 3.98Å; Q583-F587 HydrophobicContact CB-CE2 4.41Å; Q583-F587 HydrophobicContact CB-CZ 4.14Å; Q583-F587 HydrophobicContact CG-CE2 4.35Å; Q583-F587 HydrophobicContact CG-CZ 3.68Å; F587-A601 HydrophobicContact CD1-CB 3.79Å; F587-A601 HydrophobicContact CE1-CB 3.74Å; F587-L602 CarbonylContact C-O 3.52Å; F587-L602 WeakPolarHBondContact CA-O 3.45Å; F587-R603 HydrophobicContact CD1-CB 4.23Å; F587-R603 HydrophobicContact CD1-CG 4.43Å; F587-R603 HydrophobicContact CE1-CB 4.43Å; F587-L609 HydrophobicContact CE1-CD1 4.38Å; F587-L609 HydrophobicContact CE1-CD2 4.49Å
588	I	86.3	Confident	78.8	Confident	41 Å²	41	34 Å²	34	21%	0.21	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-48.5	174.4	-59.4	177.4	0	0	0	109.2	A280 C546 L602 N604	A280-I588 VanDerWaalsContact O-CD1 3.28Å; A280-I588 WeakPolarHBondContact O-CD1 3.28Å; C546-I588 VanDerWaalsContact CB-O 3.24Å; C546-I588 WeakPolarHBondContact CB-O 3.2Å; I588-L602 HydrophobicContact CB-CD2 4.31Å; I588-L602 HydrophobicContact CB-CG 4.47Å; I588-L602 PolarHBondContact N-O 2.78Å; I588-N604 HydrophobicContact CD1-CB 4.41Å; I588-N604 HydrophobicContact CG1-CB 4.2Å
589	E	89.5	Confident	80	Confident	46 Å²	46	32.2 Å²	32.2	22%	0.215	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	152.3	-173.8	-79.9	176	-178.8	0	0	111.3	A282 S283 H591 L602	A282-E589 VanDerWaalsContact CA-OE1 3.3Å; A282-E589 WeakPolarHBondContact CA-OE1 3.09Å; S283-E589 WeakPolarHBondContact CA-OE2 3.45Å; S283-E589 WeakPolarHBondContact CB-OE2 3.38Å; S283-E589 PolarHBondContact N-OE2 2.9Å; S283-E589 PolarHBondContact OG-OE2 2.89Å; E589-H591 IonicContact OE2-CE1 2.71Å; E589-H591 IonicContact OE2-NE2 3.66Å; E589-H591 PolarHBondContact OE2-NE2 3.07Å; E589-H591 VanDerWaalsContact OE2-NE2 3.08Å; E589-L602 HydrophobicContact CB-CB 4.35Å; E589-L602 PolarHBondContact N-O 3.12Å; E589-L602 PolarHBondContact O-N 2.96Å
590	L	91.6	Very high	81.3	Confident	7 Å²	7	29.4 Å²	29.4	4%	0.037	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	144.3	171.2	-61.6	178	0	0	0	108.3	D548 A557 A559 I565 L599 L600 A601	D548-L590 HydrophobicContact CB-CB 4.04Å; D548-L590 WeakPolarHBondContact CB-O 3.23Å; A557-L590 HydrophobicContact CB-CD1 3.93Å; A559-L590 HydrophobicContact CB-CD1 4.12Å; I565-L590 HydrophobicContact CD1-CD2 3.73Å; I565-L590 HydrophobicContact CG1-CD2 4.29Å; I565-L590 HydrophobicContact CG2-CD1 4.38Å; L590-L599 HydrophobicContact CB-CD1 4.47Å; L590-L600 CarbonylContact C-O 3.56Å; L590-L600 WeakPolarHBondContact CA-O 3.42Å; L590-A601 HydrophobicContact CD2-CB 3.5Å; L590-A601 VanDerWaalsContact CD2-CB 3.5Å
591	H	90.7	Very high	82.5	Confident	36 Å²	36	29 Å²	29	17%	0.167	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	118.7	177.9	-64.6	-87	0	0	0	109.9	S283 W285 D548 E589 L600	S283-H591 PolarHBondContact O-CE1 2.97Å; S283-H591 PolarHBondContact O-NE2 2.92Å; S283-H591 PolarHBondContact OG-NE2 3.21Å; W285-H591 HydrophobicContact CB-CB 3.88Å; W285-H591 HydrophobicContact CE3-CB 4.09Å; W285-H591 VanDerWaalsContact CE3-O 3.28Å; W285-H591 WeakPolarHBondContact CZ3-O 3.36Å; D548-H591 VanDerWaalsContact OD2-CA 3.24Å; D548-H591 WeakPolarHBondContact OD2-CA 3.49Å; E589-H591 IonicContact OE2-CE1 2.71Å; E589-H591 IonicContact OE2-NE2 3.66Å; E589-H591 PolarHBondContact OE2-NE2 3.07Å; E589-H591 VanDerWaalsContact OE2-NE2 3.08Å; H591-L600 HydrophobicContact CB-CB 4.38Å; H591-L600 PolarHBondContact N-O 3.26Å; H591-L600 PolarHBondContact O-N 2.75Å
592	F	90.4	Very high	83.5	Confident	17 Å²	17	29 Å²	29	8%	0.075	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	151.3	167.1	-79.9	-83	0	0	0	111.4	D548 L549 V555 A557 M567 D598 L599	D548-F592 HydrophobicContact CB-CD2 4.05Å; D548-F592 HydrophobicContact CB-CE2 4.4Å; D548-F592 PolarHBondContact OD2-N 2.99Å; L549-F592 VanDerWaalsContact C-CD2 3.47Å; V555-F592 HydrophobicContact CG1-CZ 4.24Å; A557-F592 HydrophobicContact CB-CE2 3.64Å; A557-F592 HydrophobicContact CB-CZ 3.75Å; M567-F592 HydrophobicContact CE-CE1 3.73Å; M567-F592 HydrophobicContact CE-CZ 3.37Å; F592-D598 WeakPolarHBondContact CA-O 3.37Å; F592-L599 HydrophobicContact CD1-CD1 3.98Å; F592-L599 HydrophobicContact CD2-CD1 4.01Å; F592-L599 HydrophobicContact CE1-CD1 4.09Å; F592-L599 HydrophobicContact CE2-CD1 4.11Å; F592-L599 HydrophobicContact CG-CD1 3.97Å; F592-L599 HydrophobicContact CZ-CD1 4.18Å
593	S	88.5	Confident	84.9	Confident	2 Å²	2	29.2 Å²	29.2	1%	0.014	16%	0.158	C	C	.	.			trans	-68.9	161.5	168.7	64.2	0	0	0	0	110.7	W285 S287 P551 C595 G596 A597 D598	W285-S593 VanDerWaalsContact CZ3-N 3.26Å; S287-S593 WeakPolarHBondContact OG-CA 3.41Å; S287-S593 WeakPolarHBondContact OG-CB 3.23Å; P551-S593 WeakPolarHBondContact CG-O 3.29Å; S593-C595 PolarHBondContact O-N 3.15Å; S593-C595 PolarHBondContact OG-SG 2.71Å; S593-G596 PolarHBondContact O-N 3.43Å; S593-G596 PolarHBondContact OG-N 2.87Å; S593-A597 PolarHBondContact OG-N 3.12Å; S593-D598 PolarHBondContact N-O 2.71Å; S593-D598 PolarHBondContact OG-N 2.91Å; S593-D598 PolarHBondContact OG-O 3.46Å
594	T	82.6	Confident	85.6	Confident	89 Å²	89	31.8 Å²	31.8	55%	0.546	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.7	179.2	52.8	0	0	0	0	112.6	S287	S287-T594 PolarHBondContact OG-N 3.09Å; S287-T594 PolarHBondContact OG-OG1 3.5Å; S287-T594 VanDerWaalsContact OG-OG1 3.14Å
595	C	80.4	Confident	86.1	Confident	89 Å²	89	30.4 Å²	30.4	60%	0.601	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-8.9	172.1	60.9	0	0	0	0	114	S593 A597	S593-C595 PolarHBondContact O-N 3.15Å; S593-C595 PolarHBondContact OG-SG 2.71Å; C595-A597 PolarHBondContact O-N 2.99Å
596	G	81.3	Confident	86.5	Confident	1 Å²	1	28 Å²	28	1%	0.01	16%	0.161	C	C	.	.	S	Bend	trans	77.6	-12.7	-177.2	0	0	0	0	0	115.6	S593 D598	S593-G596 PolarHBondContact O-N 3.43Å; S593-G596 PolarHBondContact OG-N 2.87Å; G596-D598 PolarHBondContact O-N 2.87Å
597	A	84.3	Confident	86.6	Confident	26 Å²	26	25.5 Å²	25.5	22%	0.215	14%	0.144	C	C	.	.	S	Bend	trans	-69.9	-30.4	-176.1	0	0	0	0	0	113.6	S593 C595 N613 V614	S593-A597 PolarHBondContact OG-N 3.12Å; C595-A597 PolarHBondContact O-N 2.99Å; A597-N613 CarbonylContact O-C 3.52Å; A597-N613 WeakPolarHBondContact O-CA 3.33Å; A597-N613 PolarHBondContact O-N 3.23Å; A597-V614 PolarHBondContact O-N 2.98Å
598	D	88.6	Confident	86.6	Confident	38 Å²	38	25.1 Å²	25.1	20%	0.203	14%	0.142	C	C	.	.			trans	-117.5	152.3	-171.8	-54.6	-29.4	0	0	0	110.7	W285 F592 S593 G596 F611 E612 N613	W285-D598 HydrophobicContact CH2-CB 3.79Å; W285-D598 HydrophobicContact CZ3-CB 4.45Å; F592-D598 WeakPolarHBondContact CA-O 3.37Å; S593-D598 PolarHBondContact N-O 2.71Å; S593-D598 PolarHBondContact OG-N 2.91Å; S593-D598 PolarHBondContact OG-O 3.46Å; G596-D598 PolarHBondContact O-N 2.87Å; D598-F611 CarbonylContact C-O 3.53Å; D598-F611 WeakPolarHBondContact CA-O 3.13Å; D598-F611 WeakPolarHBondContact CB-O 3.44Å; D598-E612 WeakPolarHBondContact OD1-CA 3.24Å; D598-N613 PolarHBondContact OD1-N 3.08Å
599	L	90.9	Very high	86.8	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.9	177	-174	75.9	0	0	0	110.2	A557 I565 M567 L580 L590 F592 I610 F611 V614	A557-L599 HydrophobicContact CB-CD1 3.89Å; A557-L599 HydrophobicContact CB-CD2 4.07Å; I565-L599 HydrophobicContact CD1-CD2 4.44Å; I565-L599 HydrophobicContact CG2-CD2 3.99Å; M567-L599 HydrophobicContact SD-CD2 4.18Å; L580-L599 HydrophobicContact CD2-CD2 3.73Å; L590-L599 HydrophobicContact CB-CD1 4.47Å; F592-L599 HydrophobicContact CD1-CD1 3.98Å; F592-L599 HydrophobicContact CD2-CD1 4.01Å; F592-L599 HydrophobicContact CE1-CD1 4.09Å; F592-L599 HydrophobicContact CE2-CD1 4.11Å; F592-L599 HydrophobicContact CG-CD1 3.97Å; F592-L599 HydrophobicContact CZ-CD1 4.18Å; L599-I610 WeakPolarHBondContact O-CA 3.36Å; L599-F611 HydrophobicContact CB-CB 4.45Å; L599-F611 PolarHBondContact N-O 2.8Å; L599-F611 PolarHBondContact O-N 2.83Å; L599-V614 HydrophobicContact CB-CG2 3.76Å
600	L	92.4	Very high	86.8	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.9	168.7	-176.1	153	0	0	0	109.5	W285 L292 T306 L590 H591 V608 L609 I610	W285-L600 HydrophobicContact CB-CD1 4.19Å; W285-L600 HydrophobicContact CD2-CB 3.73Å; W285-L600 HydrophobicContact CD2-CD1 3.75Å; W285-L600 HydrophobicContact CD2-CG 4.37Å; W285-L600 HydrophobicContact CE3-CB 3.44Å; W285-L600 VanDerWaalsContact CE3-CB 3.44Å; W285-L600 HydrophobicContact CE3-CD1 4.36Å; W285-L600 HydrophobicContact CG-CB 4.32Å; W285-L600 HydrophobicContact CG-CD1 3.65Å; W285-L600 HydrophobicContact CH2-CB 4.2Å; W285-L600 HydrophobicContact CZ2-CB 4.49Å; W285-L600 HydrophobicContact CZ3-CB 3.68Å; L292-L600 HydrophobicContact CD1-CD1 3.99Å; L292-L600 HydrophobicContact CD1-CD2 4.26Å; T306-L600 HydrophobicContact CG2-CD1 4.35Å; L590-L600 CarbonylContact C-O 3.56Å; L590-L600 WeakPolarHBondContact CA-O 3.42Å; H591-L600 HydrophobicContact CB-CB 4.38Å; H591-L600 PolarHBondContact N-O 3.26Å; H591-L600 PolarHBondContact O-N 2.75Å; L600-V608 HydrophobicContact CD1-CG1 3.68Å; L600-V608 HydrophobicContact CD2-CG1 3.92Å; L600-V608 HydrophobicContact CG-CG1 3.67Å; L600-L609 CarbonylContact C-O 3.58Å; L600-L609 WeakPolarHBondContact CA-O 3.41Å; L600-I610 HydrophobicContact CB-CG1 4.45Å; L600-I610 HydrophobicContact CD1-CD1 4.32Å; L600-I610 HydrophobicContact CD1-CG1 4.15Å; L600-I610 HydrophobicContact CG-CG1 4.23Å
601	A	91.2	Very high	86.6	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.1	175.5	0	0	0	0	0	110.8	I565 F587 L590 L609 F611	I565-A601 HydrophobicContact CD1-CB 3.65Å; F587-A601 HydrophobicContact CD1-CB 3.79Å; F587-A601 HydrophobicContact CE1-CB 3.74Å; L590-A601 HydrophobicContact CD2-CB 3.5Å; L590-A601 VanDerWaalsContact CD2-CB 3.5Å; A601-L609 HydrophobicContact CB-CB 4.39Å; A601-L609 PolarHBondContact N-O 3.03Å; A601-L609 PolarHBondContact O-N 2.95Å; A601-F611 HydrophobicContact CB-CE2 4.18Å
602	L	89.7	Confident	86.3	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124.4	175.3	-179.5	68.4	0	0	0	109.8	A280 F587 I588 E589 V608	A280-L602 HydrophobicContact CB-CD1 3.89Å; A280-L602 HydrophobicContact CB-CD2 3.69Å; A280-L602 HydrophobicContact CB-CG 4.37Å; F587-L602 CarbonylContact C-O 3.52Å; F587-L602 WeakPolarHBondContact CA-O 3.45Å; I588-L602 HydrophobicContact CB-CD2 4.31Å; I588-L602 HydrophobicContact CB-CG 4.47Å; I588-L602 PolarHBondContact N-O 2.78Å; E589-L602 HydrophobicContact CB-CB 4.35Å; E589-L602 PolarHBondContact N-O 3.12Å; E589-L602 PolarHBondContact O-N 2.96Å; L602-V608 HydrophobicContact CD1-CG2 3.75Å
603	R	87.1	Confident	85.8	Confident	15 Å²	15	25.6 Å²	25.6	6%	0.057	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	155.3	-178.9	-161.7	170.1	70.9	-175.5	-3.5	111.6	Y213 R585 P586 F587 D605 G606 A607 L609	Y213-R603 VanDerWaalsContact CE1-NH2 3.26Å; R585-R603 HydrophobicContact CB-CG 3.85Å; P586-R603 WeakPolarHBondContact O-CG 3.21Å; F587-R603 HydrophobicContact CD1-CB 4.23Å; F587-R603 HydrophobicContact CD1-CG 4.43Å; F587-R603 HydrophobicContact CE1-CB 4.43Å; R603-D605 WeakPolarHBondContact CB-OD1 3.39Å; R603-D605 IonicContact CZ-OD1 3.57Å; R603-D605 IonicContact CZ-OD2 3.39Å; R603-D605 VanDerWaalsContact NE-CG 3.34Å; R603-D605 IonicContact NE-OD1 3.98Å; R603-D605 PolarHBondContact NE-OD1 3.28Å; R603-D605 IonicContact NE-OD2 2.82Å; R603-D605 PolarHBondContact NE-OD2 2.81Å; R603-D605 IonicContact NH2-OD1 3.46Å; R603-D605 IonicContact NH2-OD2 3.4Å; R603-D605 PolarHBondContact NH2-OD2 3.21Å; R603-D605 PolarHBondContact O-N 2.85Å; R603-G606 PolarHBondContact O-N 3.43Å; R603-A607 HydrophobicContact CB-CB 4.12Å; R603-A607 PolarHBondContact N-O 3.34Å; R603-L609 HydrophobicContact CB-CD1 4.33Å
604	N	83.4	Confident	85.3	Confident	93 Å²	93	26.2 Å²	26.2	50%	0.497	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.7	-174.1	-167.6	27.2	0	0	0	115.3	P586 I588 G606	P586-N604 HydrophobicContact CG-CB 4.09Å; P586-N604 WeakPolarHBondContact O-CB 3.49Å; P586-N604 PolarHBondContact O-N 2.85Å; I588-N604 HydrophobicContact CD1-CB 4.41Å; I588-N604 HydrophobicContact CG1-CB 4.2Å; N604-G606 VanDerWaalsContact C-N 3.26Å; N604-G606 PolarHBondContact O-N 2.85Å
605	D	76.1	Confident	84.7	Confident	27 Å²	27	26.5 Å²	26.5	14%	0.144	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	11.4	175.8	60	-2.4	0	0	0	114	Y213 R585 R603 A607	Y213-D605 WeakPolarHBondContact OH-CB 3.22Å; Y213-D605 PolarHBondContact OH-O 3.21Å; Y213-D605 PolarHBondContact OH-OD2 2.86Å; R585-D605 WeakPolarHBondContact CD-OD2 3.2Å; R585-D605 IonicContact CZ-OD2 2.67Å; R585-D605 IonicContact NE-OD2 4Å; R585-D605 IonicContact NH1-OD2 2.66Å; R585-D605 PolarHBondContact NH1-OD2 3.48Å; R603-D605 WeakPolarHBondContact CB-OD1 3.39Å; R603-D605 IonicContact CZ-OD1 3.57Å; R603-D605 IonicContact CZ-OD2 3.39Å; R603-D605 VanDerWaalsContact NE-CG 3.34Å; R603-D605 IonicContact NE-OD1 3.98Å; R603-D605 PolarHBondContact NE-OD1 3.28Å; R603-D605 IonicContact NE-OD2 2.82Å; R603-D605 PolarHBondContact NE-OD2 2.81Å; R603-D605 IonicContact NH2-OD1 3.46Å; R603-D605 IonicContact NH2-OD2 3.4Å; R603-D605 PolarHBondContact NH2-OD2 3.21Å; R603-D605 PolarHBondContact O-N 2.85Å; D605-A607 VanDerWaalsContact C-N 3.28Å; D605-A607 PolarHBondContact O-N 3.44Å; D605-A607 VanDerWaalsContact OD1-CB 3.29Å; D605-A607 WeakPolarHBondContact OD1-CB 3.18Å; D605-A607 PolarHBondContact OD1-N 3.42Å; D605-A607 VanDerWaalsContact OD1-N 3.12Å
606	G	81	Confident	83.9	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	75.3	11.5	-177.2	0	0	0	0	0	114.1	C277 R603 N604	C277-G606 PolarHBondContact N-O 3.07Å; R603-G606 PolarHBondContact O-N 3.43Å; N604-G606 VanDerWaalsContact C-N 3.26Å; N604-G606 PolarHBondContact O-N 2.85Å
607	A	84.4	Confident	82.6	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	136.2	169.3	0	0	0	0	0	110.3	Y213 R603 D605 L609	Y213-A607 HydrophobicContact CD1-CB 4.15Å; Y213-A607 HydrophobicContact CD2-CB 3.56Å; Y213-A607 HydrophobicContact CE1-CB 4Å; Y213-A607 HydrophobicContact CE2-CB 3.44Å; Y213-A607 VanDerWaalsContact CE2-CB 3.44Å; Y213-A607 HydrophobicContact CG-CB 3.96Å; R603-A607 HydrophobicContact CB-CB 4.12Å; R603-A607 PolarHBondContact N-O 3.34Å; D605-A607 VanDerWaalsContact C-N 3.28Å; D605-A607 PolarHBondContact O-N 3.44Å; D605-A607 VanDerWaalsContact OD1-CB 3.29Å; D605-A607 WeakPolarHBondContact OD1-CB 3.18Å; D605-A607 PolarHBondContact OD1-N 3.42Å; D605-A607 VanDerWaalsContact OD1-N 3.12Å; A607-L609 HydrophobicContact CB-CD1 4.04Å
608	V	88.6	Confident	81.1	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	121.8	171	178.8	0	0	0	0	107.8	M274 F275 C277 L292 L600 L602 I610	M274-V608 VanDerWaalsContact CA-O 3.25Å; M274-V608 WeakPolarHBondContact CA-O 2.87Å; F275-V608 HydrophobicContact CD1-CB 4.38Å; F275-V608 HydrophobicContact CD2-CB 4.1Å; F275-V608 HydrophobicContact CD2-CG2 4.34Å; F275-V608 HydrophobicContact CE1-CB 4.01Å; F275-V608 HydrophobicContact CE1-CG1 3.77Å; F275-V608 HydrophobicContact CE2-CB 3.7Å; F275-V608 HydrophobicContact CE2-CG1 4.04Å; F275-V608 HydrophobicContact CE2-CG2 3.78Å; F275-V608 HydrophobicContact CG-CB 4.42Å; F275-V608 HydrophobicContact CZ-CB 3.66Å; F275-V608 HydrophobicContact CZ-CG1 3.48Å; F275-V608 VanDerWaalsContact CZ-CG1 3.48Å; F275-V608 HydrophobicContact CZ-CG2 4.1Å; F275-V608 PolarHBondContact N-O 2.89Å; F275-V608 VanDerWaalsContact N-O 3.09Å; F275-V608 PolarHBondContact O-N 3.18Å; C277-V608 HydrophobicContact CB-CG2 4.33Å; C277-V608 VanDerWaalsContact SG-CG2 3.55Å; L292-V608 HydrophobicContact CD2-CG1 4.19Å; L292-V608 HydrophobicContact CD2-CG2 3.66Å; L600-V608 HydrophobicContact CD1-CG1 3.68Å; L600-V608 HydrophobicContact CD2-CG1 3.92Å; L600-V608 HydrophobicContact CG-CG1 3.67Å; L602-V608 HydrophobicContact CD1-CG2 3.75Å; V608-I610 HydrophobicContact CG1-CG1 4.44Å
609	L	89.8	Confident	79.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.8	177.9	-67.5	78.1	0	0	0	108.6	P271 Y273 M274 Q583 F587 L600 A601 R603 A607 F611	P271-L609 HydrophobicContact CB-CB 4.05Å; P271-L609 HydrophobicContact CB-CD2 4.2Å; P271-L609 HydrophobicContact CB-CG 4.33Å; P271-L609 HydrophobicContact CG-CD2 3.99Å; P271-L609 HydrophobicContact CG-CG 4.41Å; Y273-L609 WeakPolarHBondContact O-CA 3.17Å; M274-L609 HydrophobicContact CG-CD1 4.42Å; M274-L609 HydrophobicContact CG-CG 4.13Å; M274-L609 HydrophobicContact SD-CD1 4.45Å; M274-L609 HydrophobicContact SD-CG 4.23Å; Q583-L609 HydrophobicContact CG-CD2 4.41Å; F587-L609 HydrophobicContact CE1-CD1 4.38Å; F587-L609 HydrophobicContact CE1-CD2 4.49Å; L600-L609 CarbonylContact C-O 3.58Å; L600-L609 WeakPolarHBondContact CA-O 3.41Å; A601-L609 HydrophobicContact CB-CB 4.39Å; A601-L609 PolarHBondContact N-O 3.03Å; A601-L609 PolarHBondContact O-N 2.95Å; R603-L609 HydrophobicContact CB-CD1 4.33Å; A607-L609 HydrophobicContact CB-CD1 4.04Å; L609-F611 HydrophobicContact CB-CE2 3.8Å; L609-F611 HydrophobicContact CB-CZ 4.14Å; L609-F611 HydrophobicContact CD2-CE2 4.36Å; L609-F611 HydrophobicContact CD2-CZ 3.95Å
610	I	90	Very high	77.5	Confident	11 Å²	11	47.4 Å²	47.4	6%	0.056	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.7	174.4	-57.3	174.2	0	0	0	108.9	R272 Y273 F275 W285 L599 L600 V608	R272-I610 PolarHBondContact N-O 3.18Å; Y273-I610 PolarHBondContact N-O 2.92Å; Y273-I610 PolarHBondContact O-N 2.81Å; F275-I610 HydrophobicContact CE1-CD1 4Å; W285-I610 HydrophobicContact CH2-CG2 4.45Å; L599-I610 WeakPolarHBondContact O-CA 3.36Å; L600-I610 HydrophobicContact CB-CG1 4.45Å; L600-I610 HydrophobicContact CD1-CD1 4.32Å; L600-I610 HydrophobicContact CD1-CG1 4.15Å; L600-I610 HydrophobicContact CG-CG1 4.23Å; V608-I610 HydrophobicContact CG1-CG1 4.44Å
611	F	87	Confident	75.7	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130.1	175.7	-57.5	-90.5	0	0	0	108.6	K269 P271 I565 L580 T581 D598 L599 A601 L609 V614	K269-F611 WeakPolarHBondContact O-CE1 3.26Å; P271-F611 HydrophobicContact CB-CD1 4.2Å; P271-F611 HydrophobicContact CB-CE1 3.79Å; P271-F611 HydrophobicContact CB-CZ 3.95Å; P271-F611 HydrophobicContact CG-CE1 4.39Å; I565-F611 HydrophobicContact CD1-CE2 4.19Å; L580-F611 HydrophobicContact CD1-CD1 4.35Å; L580-F611 HydrophobicContact CD2-CB 3.82Å; L580-F611 HydrophobicContact CD2-CD1 3.59Å; L580-F611 HydrophobicContact CD2-CD2 3.46Å; L580-F611 VanDerWaalsContact CD2-CD2 3.46Å; L580-F611 HydrophobicContact CD2-CE1 3.97Å; L580-F611 HydrophobicContact CD2-CE2 3.86Å; L580-F611 HydrophobicContact CD2-CG 3.33Å; L580-F611 HydrophobicContact CD2-CZ 4.11Å; L580-F611 HydrophobicContact CG-CB 4.49Å; L580-F611 HydrophobicContact CG-CD1 3.76Å; L580-F611 HydrophobicContact CG-CD2 4.49Å; L580-F611 HydrophobicContact CG-CE1 4.07Å; L580-F611 HydrophobicContact CG-CG 4.01Å; T581-F611 HydrophobicContact CG2-CE1 4.15Å; T581-F611 HydrophobicContact CG2-CE2 4.32Å; T581-F611 HydrophobicContact CG2-CZ 3.55Å; D598-F611 CarbonylContact C-O 3.53Å; D598-F611 WeakPolarHBondContact CA-O 3.13Å; D598-F611 WeakPolarHBondContact CB-O 3.44Å; L599-F611 HydrophobicContact CB-CB 4.45Å; L599-F611 PolarHBondContact N-O 2.8Å; L599-F611 PolarHBondContact O-N 2.83Å; A601-F611 HydrophobicContact CB-CE2 4.18Å; L609-F611 HydrophobicContact CB-CE2 3.8Å; L609-F611 HydrophobicContact CB-CZ 4.14Å; L609-F611 HydrophobicContact CD2-CE2 4.36Å; L609-F611 HydrophobicContact CD2-CZ 3.95Å; F611-V614 HydrophobicContact CB-CG2 3.73Å
612	E	84.6	Confident	74.4	Confident	56 Å²	56	53.6 Å²	53.6	26%	0.262	28%	0.28	S	S	.	.	S	Bend	trans	-101.2	150.8	176.8	-68.9	-176.8	173.9	0	0	111.7	K269 R272 D598 V614	K269-E612 WeakPolarHBondContact CE-O 3.47Å; K269-E612 PolarHBondContact NZ-O 2.78Å; R272-E612 HydrophobicContact CB-CG 4.49Å; R272-E612 WeakPolarHBondContact CD-OE1 3.08Å; R272-E612 WeakPolarHBondContact CD-OE2 3.34Å; R272-E612 IonicContact CZ-OE1 2.75Å; R272-E612 IonicContact CZ-OE2 3.29Å; R272-E612 IonicContact NE-OE1 3.96Å; R272-E612 IonicContact NE-OE2 2.92Å; R272-E612 IonicContact NH1-OE1 3.87Å; R272-E612 PolarHBondContact NH1-OE1 3.08Å; R272-E612 IonicContact NH1-OE2 2.83Å; R272-E612 PolarHBondContact NH1-OE2 3.18Å; D598-E612 WeakPolarHBondContact OD1-CA 3.24Å; E612-V614 PolarHBondContact O-N 2.99Å
613	N	80.3	Confident	73.3	Confident	91 Å²	91	57.6 Å²	57.6	49%	0.487	31%	0.306	S	S	.	.			trans	51.1	54.7	177.2	-61.7	-35	0	0	0	112.7	K269 A597 D598 E615 A616	K269-N613 PolarHBondContact NZ-O 3.29Å; A597-N613 CarbonylContact O-C 3.52Å; A597-N613 WeakPolarHBondContact O-CA 3.33Å; A597-N613 PolarHBondContact O-N 3.23Å; D598-N613 PolarHBondContact OD1-N 3.08Å; N613-E615 VanDerWaalsContact C-N 3.3Å; N613-A616 HydrophobicContact CB-CB 4.28Å; N613-A616 PolarHBondContact O-N 3.24Å
614	V	78.4	Confident	72.7	Confident	14 Å²	14	57.7 Å²	57.7	9%	0.085	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-27.6	-177.7	179	0	0	0	0	112.1	M567 L580 A597 L599 F611 E612 A616	M567-V614 HydrophobicContact CE-CG1 3.42Å; M567-V614 VanDerWaalsContact CE-CG1 3.42Å; M567-V614 HydrophobicContact CG-CG1 3.87Å; M567-V614 HydrophobicContact SD-CG1 3.68Å; L580-V614 HydrophobicContact CD1-CG1 3.9Å; L580-V614 HydrophobicContact CD1-CG2 4.18Å; L580-V614 HydrophobicContact CD2-CG2 4.48Å; A597-V614 PolarHBondContact O-N 2.98Å; L599-V614 HydrophobicContact CB-CG2 3.76Å; F611-V614 HydrophobicContact CB-CG2 3.73Å; E612-V614 PolarHBondContact O-N 2.99Å; V614-A616 VanDerWaalsContact C-N 3.33Å
615	E	69.8	Low	72.5	Confident	95 Å²	95	57.5 Å²	57.5	44%	0.444	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-17.3	177.5	-62.2	-172.8	157.3	0	0	113.6	V555 N613 E617	V555-E615 HydrophobicContact CG2-CG 4.37Å; N613-E615 VanDerWaalsContact C-N 3.3Å; E615-E617 PolarHBondContact O-N 2.79Å
616	A	62.6	Low	72.8	Confident	49 Å²	49	57.2 Å²	57.2	41%	0.405	30%	0.3	S	S	.	.	S	Bend	trans	-73.7	116.8	177.5	0	0	0	0	0	109.6	N613 V614 E618	N613-A616 HydrophobicContact CB-CB 4.28Å; N613-A616 PolarHBondContact O-N 3.24Å; V614-A616 VanDerWaalsContact C-N 3.33Å; A616-E618 VanDerWaalsContact C-N 3.27Å; A616-E618 PolarHBondContact O-N 3.22Å
617	E	54.9	Low	73	Confident	165 Å²	165	57.4 Å²	57.4	77%	0.771	30%	0.301	S	S	*	.			trans	-64	83.6	173.5	-72.9	-173.6	179.1	0	0	110.6	E615	E615-E617 PolarHBondContact O-N 2.79Å
618	E	52	Low	73	Confident	144 Å²	144	58.1 Å²	58.1	67%	0.673	31%	0.305	S	S	*	.			trans	-113.7	96	167.8	-70.4	-174.9	170.3	0	0	108.1	A616 P620	A616-E618 VanDerWaalsContact C-N 3.27Å; A616-E618 PolarHBondContact O-N 3.22Å; E618-P620 WeakPolarHBondContact O-CD 3.39Å
619	H	51.8	Low	72.9	Confident	135 Å²	135	58.6 Å²	58.6	63%	0.625	31%	0.307	S	S	*	.			trans	-93.2	93.7	164.9	-71.3	-59.8	0	0	0	108.4	A621	H619-A621 VanDerWaalsContact C-N 3.34Å; H619-A621 PolarHBondContact O-N 2.95Å
620	P	52	Low	72.6	Confident	101 Å²	101	59 Å²	59	66%	0.656	31%	0.31	S	S	*	.			trans	-73	-25.3	-175.8	28	-34.6	0	0	0	113.1	E618	E618-P620 WeakPolarHBondContact O-CD 3.39Å
621	A	55.5	Low	72.2	Confident	29 Å²	29	61.3 Å²	61.3	24%	0.24	32%	0.32	C	S	.	.	S	Bend	trans	-154.9	149	179.8	0	0	0	0	0	111.5	A267 H619	A267-A621 WeakPolarHBondContact CB-O 3.24Å; H619-A621 VanDerWaalsContact C-N 3.34Å; H619-A621 PolarHBondContact O-N 2.95Å
622	Q	63.1	Low	71.8	Confident	101 Å²	101	62.4 Å²	62.4	47%	0.472	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-78.1	143.3	177.4	-65	-169.9	-8	0	0	111.2	I624 F644	Q622-I624 PolarHBondContact O-N 2.77Å; Q622-F644 VanDerWaalsContact CD-CE2 3.44Å; Q622-F644 HydrophobicContact CG-CE2 4.47Å; Q622-F644 VanDerWaalsContact NE2-CE2 3.27Å
623	P	66.3	Low	71.4	Confident	84 Å²	84	67.9 Å²	67.9	55%	0.545	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-65.6	131.1	-178.8	26.7	-33.7	0	0	0	110.8	A267 G643	A267-P623 HydrophobicContact CB-CB 4.49Å; P623-G643 PolarHBondContact O-N 2.52Å
624	I	75.7	Confident	71.1	Confident	17 Å²	17	69.8 Å²	69.8	9%	0.087	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	120.9	176.3	-63	171.9	0	0	0	108.3	Q622 L626 L627 N940 Y942	Q622-I624 PolarHBondContact O-N 2.77Å; I624-L626 WeakPolarHBondContact CG2-O 3.33Å; I624-L627 HydrophobicContact CG2-CB 4.32Å; I624-L627 HydrophobicContact CG2-CD1 4.35Å; I624-N940 HydrophobicContact CB-CB 4.23Å; I624-N940 HydrophobicContact CG2-CB 3.95Å; I624-Y942 HydrophobicContact CD1-CD1 3.75Å; I624-Y942 HydrophobicContact CD1-CE1 3.51Å
625	K	78.2	Confident	71.1	Confident	88 Å²	88	69.8 Å²	69.8	38%	0.383	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-41.6	-180	-167	-172.8	-175.3	-164.4	0	112.1	V641 P665 A667 N940	K625-V641 PolarHBondContact N-O 3.32Å; K625-P665 PolarHBondContact NZ-O 3.28Å; K625-A667 WeakPolarHBondContact CE-O 3.48Å; K625-A667 PolarHBondContact NZ-O 2.83Å; K625-N940 PolarHBondContact O-ND2 2.66Å
626	L	82.8	Confident	71.7	Confident	21 Å²	21	65.7 Å²	65.7	11%	0.11	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.5	-179.6	-57.1	172.2	0	0	0	110.2	I624 S640 V641 A667 C668 L670	I624-L626 WeakPolarHBondContact CG2-O 3.33Å; L626-S640 CarbonylContact O-C 3.56Å; L626-S640 VanDerWaalsContact O-CA 3.31Å; L626-S640 WeakPolarHBondContact O-CA 3.34Å; L626-V641 HydrophobicContact CB-CB 4.11Å; L626-V641 HydrophobicContact CB-CG2 4.35Å; L626-V641 HydrophobicContact CD1-CG2 4.49Å; L626-V641 PolarHBondContact N-O 3.43Å; L626-V641 PolarHBondContact O-N 2.87Å; L626-A667 HydrophobicContact CD1-CB 3.74Å; L626-C668 WeakPolarHBondContact CD2-O 3.27Å; L626-L670 HydrophobicContact CB-CB 3.88Å; L626-L670 HydrophobicContact CB-CD2 4.17Å; L626-L670 HydrophobicContact CD1-CB 4.23Å
627	L	85	Confident	72.8	Confident	4 Å²	4	63.5 Å²	63.5	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	132.8	-179.4	-171.6	80.9	0	0	0	109.7	I624 L638 A639 L934 A936 N940 Y942	I624-L627 HydrophobicContact CG2-CB 4.32Å; I624-L627 HydrophobicContact CG2-CD1 4.35Å; L627-L638 HydrophobicContact CD1-CD1 3.48Å; L627-L638 VanDerWaalsContact CD1-CD1 3.48Å; L627-L638 HydrophobicContact CD1-CD2 4.27Å; L627-L638 HydrophobicContact CD1-CG 3.98Å; L627-L638 HydrophobicContact CD2-CD1 4.4Å; L627-L638 HydrophobicContact CG-CD1 4Å; L627-A639 WeakPolarHBondContact CA-O 3.48Å; L627-L934 HydrophobicContact CD2-CD2 4.3Å; L627-A936 HydrophobicContact CD2-CB 3.71Å; L627-N940 HydrophobicContact CB-CB 3.95Å; L627-Y942 HydrophobicContact CD1-CD1 3.84Å; L627-Y942 HydrophobicContact CD1-CE1 4.24Å; L627-Y942 HydrophobicContact CD2-CD1 4.16Å; L627-Y942 HydrophobicContact CD2-CG 4.24Å
628	D	85.1	Confident	74.4	Confident	15 Å²	15	55.8 Å²	55.8	8%	0.08	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	158	169.1	-164.9	36.4	0	0	0	112.4	A639 L670 H671 W672	D628-A639 PolarHBondContact N-O 2.78Å; D628-A639 PolarHBondContact O-N 2.92Å; D628-L670 HydrophobicContact CB-CD2 4.22Å; D628-L670 HydrophobicContact CB-CG 4.06Å; D628-H671 WeakPolarHBondContact OD2-CA 3.22Å; D628-W672 PolarHBondContact O-NE1 3.5Å; D628-W672 PolarHBondContact OD2-N 2.9Å
629	I	85.3	Confident	76.1	Confident	10 Å²	10	48.9 Å²	48.9	5%	0.051	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	143.4	-164.9	-43.2	-174.3	0	0	0	110.9	I636 L637 L638 I652 F925 Y927 L934	I629-I636 HydrophobicContact CG2-CG2 3.42Å; I629-I636 VanDerWaalsContact CG2-CG2 3.42Å; I629-L637 WeakPolarHBondContact CA-O 3.38Å; I629-L637 VanDerWaalsContact CG2-O 3.24Å; I629-L637 WeakPolarHBondContact CG2-O 3.39Å; I629-L638 HydrophobicContact CD1-CD1 3.49Å; I629-L638 VanDerWaalsContact CD1-CD1 3.49Å; I629-L638 HydrophobicContact CG1-CD1 3.5Å; I629-I652 HydrophobicContact CG2-CD1 4.28Å; I629-F925 HydrophobicContact CB-CD1 4.34Å; I629-F925 HydrophobicContact CB-CG 4.46Å; I629-F925 HydrophobicContact CD1-CB 4.46Å; I629-F925 HydrophobicContact CD1-CD2 3.72Å; I629-F925 HydrophobicContact CD1-CE2 4.02Å; I629-F925 HydrophobicContact CD1-CG 4.05Å; I629-F925 HydrophobicContact CG1-CD2 4.35Å; I629-F925 HydrophobicContact CG1-CE2 4.34Å; I629-F925 HydrophobicContact CG1-CG 4.48Å; I629-F925 HydrophobicContact CG1-CZ 4.47Å; I629-Y927 WeakPolarHBondContact CB-OH 3.3Å; I629-Y927 HydrophobicContact CG2-CE2 3.76Å; I629-Y927 WeakPolarHBondContact CG2-OH 3.14Å; I629-Y927 PolarHBondContact O-OH 2.8Å; I629-L934 HydrophobicContact CD1-CB 3.86Å; I629-L934 HydrophobicContact CD1-CD1 3.24Å; I629-L934 HydrophobicContact CD1-CD2 3.27Å; I629-L934 HydrophobicContact CD1-CG 3.58Å
630	V	84.1	Confident	77.8	Confident	10 Å²	10	43 Å²	43	6%	0.061	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	142.1	176.8	64.9	0	0	0	0	111.9	T632 I636 L637 W672 S673	V630-T632 HydrophobicContact CG1-CG2 4.22Å; V630-I636 WeakPolarHBondContact O-CA 3.23Å; V630-I636 WeakPolarHBondContact O-CG2 3.28Å; V630-L637 HydrophobicContact CG1-CB 3.93Å; V630-L637 HydrophobicContact CG1-CD1 4.38Å; V630-L637 PolarHBondContact N-O 3.02Å; V630-L637 PolarHBondContact O-N 3.49Å; V630-W672 HydrophobicContact CB-CB 3.66Å; V630-W672 HydrophobicContact CB-CD2 4.22Å; V630-W672 HydrophobicContact CB-CG 3.75Å; V630-W672 HydrophobicContact CG1-CB 3.94Å; V630-W672 HydrophobicContact CG1-CD2 3.47Å; V630-W672 VanDerWaalsContact CG1-CD2 3.47Å; V630-W672 HydrophobicContact CG1-CE3 3.81Å; V630-W672 HydrophobicContact CG1-CG 3.55Å; V630-W672 HydrophobicContact CG2-CB 4.26Å; V630-S673 WeakPolarHBondContact CG2-O 3.22Å
631	E	81.8	Confident	79.4	Confident	58 Å²	58	38.3 Å²	38.3	27%	0.271	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	128.7	167.4	-176.3	172.4	-170.9	0	0	109.1	Y927 N929 H930	E631-Y927 HydrophobicContact CB-CD1 3.58Å; E631-Y927 HydrophobicContact CB-CE1 3.63Å; E631-Y927 HydrophobicContact CG-CD1 4.25Å; E631-Y927 WeakPolarHBondContact OE2-CD1 3.28Å; E631-N929 WeakPolarHBondContact OE1-CB 3.15Å; E631-N929 PolarHBondContact OE1-ND2 3.13Å; E631-H930 IonicContact OE1-CD2 4Å; E631-H930 PolarHBondContact OE1-CD2 3.16Å; E631-H930 IonicContact OE1-NE2 3.69Å; E631-H930 PolarHBondContact OE1-NE2 2.89Å
632	T	79.6	Confident	80.5	Confident	24 Å²	24	38.2 Å²	38.2	15%	0.147	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	163.2	172.2	69	0	0	0	0	108.9	V630 N634 G635 L637	V630-T632 HydrophobicContact CG1-CG2 4.22Å; T632-N634 PolarHBondContact O-N 2.95Å; T632-N634 PolarHBondContact OG1-N 2.93Å; T632-G635 PolarHBondContact N-O 2.83Å; T632-G635 PolarHBondContact O-N 2.77Å; T632-G635 PolarHBondContact OG1-O 3.15Å; T632-L637 HydrophobicContact CG2-CD1 3.74Å; T632-L637 HydrophobicContact CG2-CG 4.33Å
633	D	75.4	Confident	81	Confident	171 Å²	171	35.5 Å²	35.5	91%	0.914	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-25.5	174.7	-60.9	-27.7	0	0	0	113
634	N	73.3	Confident	81.3	Confident	130 Å²	130	38.5 Å²	38.5	70%	0.695	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	2.6	179.4	-66.5	-43.3	0	0	0	114	T632	T632-N634 PolarHBondContact O-N 2.95Å; T632-N634 PolarHBondContact OG1-N 2.93Å
635	G	78.5	Confident	81.5	Confident	14 Å²	14	37.7 Å²	37.7	14%	0.144	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	114.9	-172.6	-176.4	0	0	0	0	0	113.5	T632	T632-G635 PolarHBondContact N-O 2.83Å; T632-G635 PolarHBondContact O-N 2.77Å; T632-G635 PolarHBondContact OG1-O 3.15Å
636	I	82.7	Confident	81.8	Confident	9 Å²	9	36 Å²	36	5%	0.046	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	127.6	-173.4	-50.1	166	0	0	0	110.5	I629 V630 I652 Y927 H930 I932	I629-I636 HydrophobicContact CG2-CG2 3.42Å; I629-I636 VanDerWaalsContact CG2-CG2 3.42Å; V630-I636 WeakPolarHBondContact O-CA 3.23Å; V630-I636 WeakPolarHBondContact O-CG2 3.28Å; I636-I652 HydrophobicContact CB-CB 4.46Å; I636-I652 HydrophobicContact CB-CD1 3.79Å; I636-I652 HydrophobicContact CB-CG1 4.16Å; I636-I652 HydrophobicContact CD1-CD1 4.42Å; I636-I652 HydrophobicContact CG2-CD1 3.31Å; I636-I652 HydrophobicContact CG2-CG1 4.04Å; I636-I652 PolarHBondContact O-N 2.85Å; I636-I652 VanDerWaalsContact O-N 3.15Å; I636-Y927 HydrophobicContact CD1-CD2 3.57Å; I636-Y927 HydrophobicContact CD1-CE2 4.36Å; I636-Y927 HydrophobicContact CD1-CG 3.73Å; I636-Y927 HydrophobicContact CG1-CD2 4.22Å; I636-Y927 HydrophobicContact CG1-CG 4.2Å; I636-Y927 HydrophobicContact CG2-CD2 4.1Å; I636-Y927 HydrophobicContact CG2-CE2 3.8Å; I636-H930 HydrophobicContact CD1-CB 3.98Å; I636-H930 HydrophobicContact CG1-CB 4.42Å; I636-I932 HydrophobicContact CD1-CB 3.6Å; I636-I932 HydrophobicContact CD1-CD1 3.67Å; I636-I932 HydrophobicContact CD1-CG1 4.18Å; I636-I932 HydrophobicContact CD1-CG2 3.74Å
637	L	86.4	Confident	82.1	Confident	4 Å²	4	35 Å²	35	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	132.3	176.9	-62.3	172.4	0	0	0	110.1	I629 V630 T632 V649 R651 W672 F693	I629-L637 WeakPolarHBondContact CA-O 3.38Å; I629-L637 VanDerWaalsContact CG2-O 3.24Å; I629-L637 WeakPolarHBondContact CG2-O 3.39Å; V630-L637 HydrophobicContact CG1-CB 3.93Å; V630-L637 HydrophobicContact CG1-CD1 4.38Å; V630-L637 PolarHBondContact N-O 3.02Å; V630-L637 PolarHBondContact O-N 3.49Å; T632-L637 HydrophobicContact CG2-CD1 3.74Å; T632-L637 HydrophobicContact CG2-CG 4.33Å; L637-V649 HydrophobicContact CD2-CG1 4.46Å; L637-R651 HydrophobicContact CD2-CG 3.55Å; L637-W672 HydrophobicContact CB-CZ2 4.32Å; L637-W672 HydrophobicContact CD1-CH2 4.4Å; L637-F693 HydrophobicContact CD1-CD1 3.59Å; L637-F693 HydrophobicContact CD1-CE1 3.46Å; L637-F693 VanDerWaalsContact CD1-CE1 3.46Å; L637-F693 HydrophobicContact CD1-CZ 4.48Å; L637-F693 HydrophobicContact CD2-CE1 3.78Å; L637-F693 HydrophobicContact CD2-CZ 4.15Å; L637-F693 HydrophobicContact CG-CE1 4.28Å
638	L	87.4	Confident	82.1	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.1	174.2	-178.2	78.3	0	0	0	108.3	L627 I629 V649 Q650 I652 L934 Y942	L627-L638 HydrophobicContact CD1-CD1 3.48Å; L627-L638 VanDerWaalsContact CD1-CD1 3.48Å; L627-L638 HydrophobicContact CD1-CD2 4.27Å; L627-L638 HydrophobicContact CD1-CG 3.98Å; L627-L638 HydrophobicContact CD2-CD1 4.4Å; L627-L638 HydrophobicContact CG-CD1 4Å; I629-L638 HydrophobicContact CD1-CD1 3.49Å; I629-L638 VanDerWaalsContact CD1-CD1 3.49Å; I629-L638 HydrophobicContact CG1-CD1 3.5Å; L638-V649 CarbonylContact O-C 3.58Å; L638-V649 VanDerWaalsContact O-CA 3.3Å; L638-V649 WeakPolarHBondContact O-CA 3.04Å; L638-Q650 PolarHBondContact N-O 2.91Å; L638-Q650 PolarHBondContact O-N 2.8Å; L638-I652 HydrophobicContact CB-CG1 4.26Å; L638-L934 HydrophobicContact CD1-CD1 3.83Å; L638-Y942 HydrophobicContact CD2-CD1 4.35Å; L638-Y942 HydrophobicContact CD2-CD2 4.35Å; L638-Y942 HydrophobicContact CD2-CE1 3.69Å; L638-Y942 HydrophobicContact CD2-CE2 3.7Å; L638-Y942 WeakPolarHBondContact CD2-OH 3.33Å
639	A	88.2	Confident	82.2	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.3	165.9	0	0	0	0	0	109.7	L627 D628 L647 S648 V649 L670 W672 L679	L627-A639 WeakPolarHBondContact CA-O 3.48Å; D628-A639 PolarHBondContact N-O 2.78Å; D628-A639 PolarHBondContact O-N 2.92Å; A639-L647 HydrophobicContact CB-CD1 4.28Å; A639-S648 WeakPolarHBondContact CA-O 3.23Å; A639-V649 HydrophobicContact CB-CG2 4.06Å; A639-L670 HydrophobicContact CB-CD1 4.36Å; A639-L670 HydrophobicContact CB-CD2 3.84Å; A639-L670 HydrophobicContact CB-CG 4.38Å; A639-L670 WeakPolarHBondContact O-CD2 3.4Å; A639-W672 HydrophobicContact CB-CZ2 3.75Å; A639-L679 HydrophobicContact CB-CD1 4.13Å; A639-L679 HydrophobicContact CB-CD2 4.03Å
640	S	87.1	Confident	82.3	Confident	11 Å²	11	35.6 Å²	35.6	8%	0.077	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	144.9	173.6	63.8	0	0	0	0	111.1	L626 L647 S648	L626-S640 CarbonylContact O-C 3.56Å; L626-S640 VanDerWaalsContact O-CA 3.31Å; L626-S640 WeakPolarHBondContact O-CA 3.34Å; S640-L647 CarbonylContact O-C 3.52Å; S640-L647 WeakPolarHBondContact O-CA 3.33Å; S640-S648 PolarHBondContact N-O 3.15Å; S640-S648 PolarHBondContact O-N 3.42Å; S640-S648 PolarHBondContact OG-OG 2.8Å
641	V	85.2	Confident	82.2	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.1	170.3	-178.8	0	0	0	0	108.2	K625 L626 I646 L647 L670	K625-V641 PolarHBondContact N-O 3.32Å; L626-V641 HydrophobicContact CB-CB 4.11Å; L626-V641 HydrophobicContact CB-CG2 4.35Å; L626-V641 HydrophobicContact CD1-CG2 4.49Å; L626-V641 PolarHBondContact N-O 3.43Å; L626-V641 PolarHBondContact O-N 2.87Å; V641-I646 WeakPolarHBondContact CA-O 3.47Å; V641-L647 HydrophobicContact CG2-CB 4.36Å; V641-L647 HydrophobicContact CG2-CD1 3.88Å; V641-L670 HydrophobicContact CG2-CD1 4.41Å; V641-L670 HydrophobicContact CG2-CD2 4.29Å
642	D	78.9	Confident	81.9	Confident	27 Å²	27	37.5 Å²	37.5	14%	0.144	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	175.1	177.7	72	17.2	0	0	0	113	F644 G645 I646	D642-F644 PolarHBondContact O-N 2.83Å; D642-F644 WeakPolarHBondContact OD1-CA 3.18Å; D642-F644 PolarHBondContact OD1-N 2.63Å; D642-G645 PolarHBondContact O-N 2.86Å; D642-G645 PolarHBondContact OD1-N 3.45Å; D642-I646 PolarHBondContact N-O 2.79Å; D642-I646 PolarHBondContact OD1-N 2.64Å; D642-I646 VanDerWaalsContact OD2-CB 3.32Å; D642-I646 WeakPolarHBondContact OD2-CB 3.45Å
643	G	73.2	Confident	81.5	Confident	44 Å²	44	45 Å²	45	45%	0.454	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18	177.9	0	0	0	0	0	115.2	P623	P623-G643 PolarHBondContact O-N 2.52Å
644	F	73	Confident	81.1	Confident	147 Å²	147	39 Å²	39	65%	0.645	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	0.2	177.7	-64.7	-80.6	0	0	0	112.8	Q622 D642	Q622-F644 VanDerWaalsContact CD-CE2 3.44Å; Q622-F644 HydrophobicContact CG-CE2 4.47Å; Q622-F644 VanDerWaalsContact NE2-CE2 3.27Å; D642-F644 PolarHBondContact O-N 2.83Å; D642-F644 WeakPolarHBondContact OD1-CA 3.18Å; D642-F644 PolarHBondContact OD1-N 2.63Å
645	G	80.6	Confident	80.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	83.2	22.2	-179.4	0	0	0	0	0	113.5	D642 I663	D642-G645 PolarHBondContact O-N 2.86Å; D642-G645 PolarHBondContact OD1-N 3.45Å; G645-I663 CarbonylContact O-C 3.58Å; G645-I663 WeakPolarHBondContact O-CA 3.29Å; G645-I663 WeakPolarHBondContact O-CB 3.39Å; G645-I663 PolarHBondContact O-N 3.38Å; G645-I663 VanDerWaalsContact O-O 3.05Å
646	I	85.1	Confident	79.8	Confident	52 Å²	52	46.1 Å²	46.1	27%	0.267	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	118.7	172.8	-49.6	-179.8	0	0	0	108.5	V641 D642	V641-I646 WeakPolarHBondContact CA-O 3.47Å; D642-I646 PolarHBondContact N-O 2.79Å; D642-I646 PolarHBondContact OD1-N 2.64Å; D642-I646 VanDerWaalsContact OD2-CB 3.32Å; D642-I646 WeakPolarHBondContact OD2-CB 3.45Å
647	L	87.7	Confident	78.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	126.1	165.3	171.5	67.9	0	0	0	108.7	A639 S640 V641 T660 A661 I663 L670 L679 I681 L698	A639-L647 HydrophobicContact CB-CD1 4.28Å; S640-L647 CarbonylContact O-C 3.52Å; S640-L647 WeakPolarHBondContact O-CA 3.33Å; V641-L647 HydrophobicContact CG2-CB 4.36Å; V641-L647 HydrophobicContact CG2-CD1 3.88Å; L647-T660 CarbonylContact O-C 3.6Å; L647-T660 WeakPolarHBondContact O-CA 3.23Å; L647-A661 PolarHBondContact N-O 3.21Å; L647-A661 PolarHBondContact O-N 3.21Å; L647-I663 HydrophobicContact CB-CD1 3.44Å; L647-I663 VanDerWaalsContact CB-CD1 3.44Å; L647-I663 HydrophobicContact CB-CG1 3.97Å; L647-I663 HydrophobicContact CD2-CD1 3.78Å; L647-I663 HydrophobicContact CG-CD1 4.15Å; L647-L670 HydrophobicContact CD1-CD1 4.17Å; L647-L679 HydrophobicContact CD1-CD2 4Å; L647-L679 HydrophobicContact CD2-CD2 3.87Å; L647-I681 HydrophobicContact CD1-CD1 4.16Å; L647-I681 HydrophobicContact CD2-CD1 3.83Å; L647-I681 HydrophobicContact CG-CD1 4.46Å; L647-L698 HydrophobicContact CD2-CD1 3.73Å; L647-L698 HydrophobicContact CD2-CD2 4.28Å; L647-L698 HydrophobicContact CG-CD1 4.07Å
648	S	86.5	Confident	78.5	Confident	17 Å²	17	50.2 Å²	50.2	12%	0.119	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.8	170.6	86	0	0	0	0	110.4	A639 S640 Q650	A639-S648 WeakPolarHBondContact CA-O 3.23Å; S640-S648 PolarHBondContact N-O 3.15Å; S640-S648 PolarHBondContact O-N 3.42Å; S640-S648 PolarHBondContact OG-OG 2.8Å; S648-Q650 PolarHBondContact OG-NE2 2.93Å
649	V	87.4	Confident	78.3	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.4	170.8	174.8	0	0	0	0	108.8	L637 L638 A639 T658 A659 W672 L679 F693 L698	L637-V649 HydrophobicContact CD2-CG1 4.46Å; L638-V649 CarbonylContact O-C 3.58Å; L638-V649 VanDerWaalsContact O-CA 3.3Å; L638-V649 WeakPolarHBondContact O-CA 3.04Å; A639-V649 HydrophobicContact CB-CG2 4.06Å; V649-T658 PolarHBondContact O-N 3.08Å; V649-T658 PolarHBondContact O-OG1 2.99Å; V649-A659 PolarHBondContact N-O 3.16Å; V649-A659 PolarHBondContact O-N 3.24Å; V649-W672 HydrophobicContact CG1-CH2 4.17Å; V649-W672 HydrophobicContact CG1-CZ2 3.99Å; V649-W672 HydrophobicContact CG2-CH2 4.17Å; V649-W672 HydrophobicContact CG2-CZ2 3.86Å; V649-L679 HydrophobicContact CG2-CD2 4.42Å; V649-F693 HydrophobicContact CB-CE2 4.21Å; V649-F693 HydrophobicContact CG1-CD2 4.1Å; V649-F693 HydrophobicContact CG1-CE1 4.47Å; V649-F693 HydrophobicContact CG1-CE2 3.66Å; V649-F693 HydrophobicContact CG1-CZ 3.86Å; V649-L698 HydrophobicContact CB-CD1 4.34Å; V649-L698 HydrophobicContact CG2-CD1 3.85Å; V649-L698 HydrophobicContact CG2-CD2 4.03Å; V649-L698 HydrophobicContact CG2-CG 4.3Å
650	Q	85.4	Confident	78.2	Confident	25 Å²	25	54.9 Å²	54.9	12%	0.117	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	144.7	-175.6	-44.4	-167.7	-7.7	0	0	109.7	R263 L638 S648	R263-Q650 VanDerWaalsContact CZ-OE1 3.32Å; L638-Q650 PolarHBondContact N-O 2.91Å; L638-Q650 PolarHBondContact O-N 2.8Å; S648-Q650 PolarHBondContact OG-NE2 2.93Å
651	R	82.8	Confident	78.1	Confident	97 Å²	97	55.1 Å²	55.1	37%	0.366	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	130.5	165.9	-79.1	173.7	-176.9	179.2	1.1	108.4	L637 R653 S654 T658	L637-R651 HydrophobicContact CD2-CG 3.55Å; R651-R653 VanDerWaalsContact C-N 3.27Å; R651-R653 PolarHBondContact O-N 3.32Å; R651-R653 VanDerWaalsContact O-N 3.12Å; R651-S654 WeakPolarHBondContact CB-OG 3.35Å; R651-S654 PolarHBondContact O-N 3.46Å; R651-S654 PolarHBondContact O-OG 2.9Å; R651-S654 VanDerWaalsContact O-OG 3.07Å; R651-T658 HydrophobicContact CB-CG2 4.37Å; R651-T658 HydrophobicContact CG-CG2 4.08Å
652	I	76.4	Confident	78.2	Confident	12 Å²	12	62.5 Å²	62.5	6%	0.062	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-36.9	-169.5	-72.5	-170.9	0	0	0	113.9	I629 I636 L638 I932 L934 V944	I629-I652 HydrophobicContact CG2-CD1 4.28Å; I636-I652 HydrophobicContact CB-CB 4.46Å; I636-I652 HydrophobicContact CB-CD1 3.79Å; I636-I652 HydrophobicContact CB-CG1 4.16Å; I636-I652 HydrophobicContact CD1-CD1 4.42Å; I636-I652 HydrophobicContact CG2-CD1 3.31Å; I636-I652 HydrophobicContact CG2-CG1 4.04Å; I636-I652 PolarHBondContact O-N 2.85Å; I636-I652 VanDerWaalsContact O-N 3.15Å; L638-I652 HydrophobicContact CB-CG1 4.26Å; I652-I932 HydrophobicContact CG2-CD1 4.44Å; I652-I932 HydrophobicContact CG2-CG2 4.47Å; I652-L934 HydrophobicContact CD1-CD1 4.13Å; I652-V944 HydrophobicContact CG2-CB 4.14Å; I652-V944 HydrophobicContact CG2-CG1 3.25Å; I652-V944 HydrophobicContact CG2-CG2 3.8Å
653	R	71	Confident	78.4	Confident	182 Å²	182	62 Å²	62	69%	0.687	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-10.6	-179.3	-69.5	-172.7	177.5	170.4	2.7	114.4	R651 H930 I932	R651-R653 VanDerWaalsContact C-N 3.27Å; R651-R653 PolarHBondContact O-N 3.32Å; R651-R653 VanDerWaalsContact O-N 3.12Å; R653-H930 PolarHBondContact NH2-O 3.4Å; R653-I932 HydrophobicContact CG-CD1 4.34Å
654	S	66.8	Low	78.7	Confident	43 Å²	43	63.8 Å²	63.8	30%	0.301	32%	0.317	S	S	.	.			trans	-109.1	133.2	177.7	61	0	0	0	0	110.3	R651 E656	R651-S654 WeakPolarHBondContact CB-OG 3.35Å; R651-S654 PolarHBondContact O-N 3.46Å; R651-S654 PolarHBondContact O-OG 2.9Å; R651-S654 VanDerWaalsContact O-OG 3.07Å; S654-E656 PolarHBondContact O-N 2.78Å
655	N	60.3	Low	78.8	Confident	135 Å²	135	60.9 Å²	60.9	72%	0.722	31%	0.313	S	S	*	.	S	Bend	trans	-72.4	-12.7	177.2	-79.6	-8.3	0	0	0	113.7
656	E	63.8	Low	78.7	Confident	160 Å²	160	62.8 Å²	62.8	75%	0.748	32%	0.323	S	S	*	.	S	Bend	trans	-85.8	132.3	-177.3	-64.2	-177.3	172.7	0	0	110.8	S654 T658	S654-E656 PolarHBondContact O-N 2.78Å; E656-T658 PolarHBondContact O-N 3.43Å
657	S	64.8	Low	78.6	Confident	64 Å²	64	60.3 Å²	60.3	45%	0.448	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	119.2	168.7	55.2	0	0	0	0	109
658	T	77.4	Confident	78.4	Confident	35 Å²	35	62.7 Å²	62.7	22%	0.215	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-36.9	-179.9	57.9	0	0	0	0	111.9	V649 R651 E656 S696	V649-T658 PolarHBondContact O-N 3.08Å; V649-T658 PolarHBondContact O-OG1 2.99Å; R651-T658 HydrophobicContact CB-CG2 4.37Å; R651-T658 HydrophobicContact CG-CG2 4.08Å; E656-T658 PolarHBondContact O-N 3.43Å; T658-S696 VanDerWaalsContact O-O 3.08Å
659	A	82.1	Confident	78.2	Confident	11 Å²	11	65.3 Å²	65.3	9%	0.091	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	149.4	177.3	0	0	0	0	0	110.6	V649 F693 L698	V649-A659 PolarHBondContact N-O 3.16Å; V649-A659 PolarHBondContact O-N 3.24Å; A659-F693 HydrophobicContact CB-CE2 4.16Å; A659-L698 HydrophobicContact CB-CB 4.36Å; A659-L698 HydrophobicContact CB-CD1 3.75Å; A659-L698 HydrophobicContact CB-CG 3.77Å
660	T	85.8	Confident	78.2	Confident	89 Å²	89	65.9 Å²	65.9	55%	0.546	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	144.5	173.2	54.2	0	0	0	0	110.2	L647	L647-T660 CarbonylContact O-C 3.6Å; L647-T660 WeakPolarHBondContact O-CA 3.23Å
661	A	86.6	Confident	78.4	Confident	15 Å²	15	67.7 Å²	67.7	12%	0.124	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	147.5	174.9	0	0	0	0	0	110.7	L647 W691 L698	L647-A661 PolarHBondContact N-O 3.21Å; L647-A661 PolarHBondContact O-N 3.21Å; A661-W691 HydrophobicContact CB-CH2 3.72Å; A661-W691 HydrophobicContact CB-CZ3 3.75Å; A661-L698 HydrophobicContact CB-CD1 4.31Å
662	H	86.1	Confident	78.7	Confident	158 Å²	158	63.3 Å²	63.3	73%	0.731	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	134.4	173.9	-70	-75.3	0	0	0	111
663	I	83	Confident	79.3	Confident	17 Å²	17	62.8 Å²	62.8	9%	0.087	33%	0.326	C	S	.	.			trans	-132.4	157.3	-176.5	-54.6	-166.1	0	0	0	108.5	G645 L647 I681 H683 W691	G645-I663 CarbonylContact O-C 3.58Å; G645-I663 WeakPolarHBondContact O-CA 3.29Å; G645-I663 WeakPolarHBondContact O-CB 3.39Å; G645-I663 PolarHBondContact O-N 3.38Å; G645-I663 VanDerWaalsContact O-O 3.05Å; L647-I663 HydrophobicContact CB-CD1 3.44Å; L647-I663 VanDerWaalsContact CB-CD1 3.44Å; L647-I663 HydrophobicContact CB-CG1 3.97Å; L647-I663 HydrophobicContact CD2-CD1 3.78Å; L647-I663 HydrophobicContact CG-CD1 4.15Å; I663-I681 HydrophobicContact CD1-CD1 3.18Å; I663-I681 HydrophobicContact CG2-CG2 4.38Å; I663-H683 VanDerWaalsContact CG2-CE1 3.45Å; I663-H683 WeakPolarHBondContact CG2-CE1 3.43Å; I663-W691 HydrophobicContact CD1-CZ2 3.98Å; I663-W691 HydrophobicContact CG1-CZ2 4.07Å
664	Q	80.4	Confident	79.8	Confident	81 Å²	81	57.1 Å²	57.1	38%	0.379	32%	0.318	S	S	.	.			trans	-65.5	141.6	173	-69	160.9	-59.9	0	0	110.5	D666 A667	Q664-D666 WeakPolarHBondContact CB-OD1 3.35Å; Q664-D666 PolarHBondContact O-N 3.18Å; Q664-A667 PolarHBondContact O-N 3.08Å
665	P	73.7	Confident	80.5	Confident	86 Å²	86	58.7 Å²	58.7	56%	0.558	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-9.4	-173.2	26.1	-34.8	0	0	0	114	K625 A667	K625-P665 PolarHBondContact NZ-O 3.28Å; P665-A667 VanDerWaalsContact C-N 3.3Å; P665-A667 PolarHBondContact O-N 2.6Å
666	D	79.5	Confident	81.6	Confident	39 Å²	39	52.4 Å²	52.4	21%	0.209	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	13.4	-177	75.8	-39.2	0	0	0	113.9	Q664 C668 H683 S684	Q664-D666 WeakPolarHBondContact CB-OD1 3.35Å; Q664-D666 PolarHBondContact O-N 3.18Å; D666-C668 PolarHBondContact O-N 3.06Å; D666-C668 PolarHBondContact O-SG 3.41Å; D666-C668 VanDerWaalsContact O-SG 3.42Å; D666-H683 IonicContact OD1-CE1 2.78Å; D666-H683 IonicContact OD1-CG 3.17Å; D666-H683 IonicContact OD1-ND1 2.85Å; D666-H683 PolarHBondContact OD1-ND1 2.82Å; D666-H683 IonicContact OD2-ND1 3.1Å; D666-S684 PolarHBondContact O-N 3.42Å; D666-S684 PolarHBondContact OD2-OG 3.07Å
667	A	83.2	Confident	82.7	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	134.8	171.4	0	0	0	0	0	111.2	K625 L626 Q664 P665 I681	K625-A667 WeakPolarHBondContact CE-O 3.48Å; K625-A667 PolarHBondContact NZ-O 2.83Å; L626-A667 HydrophobicContact CD1-CB 3.74Å; Q664-A667 PolarHBondContact O-N 3.08Å; P665-A667 VanDerWaalsContact C-N 3.3Å; P665-A667 PolarHBondContact O-N 2.6Å; A667-I681 HydrophobicContact CB-CG2 3.89Å
668	C	82.3	Confident	83.8	Confident	51 Å²	51	48.7 Å²	48.7	35%	0.345	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	-29.2	-176.6	-68.2	0	0	0	0	113.8	L626 D666 A682 S684	L626-C668 WeakPolarHBondContact CD2-O 3.27Å; D666-C668 PolarHBondContact O-N 3.06Å; D666-C668 PolarHBondContact O-SG 3.41Å; D666-C668 VanDerWaalsContact O-SG 3.42Å; C668-A682 PolarHBondContact N-O 3.23Å; C668-S684 VanDerWaalsContact SG-CB 3.57Å
669	Y	83.4	Confident	84.3	Confident	71 Å²	71	47 Å²	47	28%	0.278	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145.9	178.2	-63.8	-88.1	0	0	0	110.9	I681 A682 L711 L712 T714	Y669-I681 VanDerWaalsContact O-CA 3.3Å; Y669-I681 WeakPolarHBondContact O-CA 3.37Å; Y669-A682 HydrophobicContact CD2-CB 4.45Å; Y669-A682 PolarHBondContact N-O 3.3Å; Y669-A682 VanDerWaalsContact N-O 3.1Å; Y669-A682 PolarHBondContact O-N 2.98Å; Y669-L711 HydrophobicContact CD2-CB 4.5Å; Y669-L711 HydrophobicContact CD2-CD2 3.61Å; Y669-L711 HydrophobicContact CD2-CG 4.02Å; Y669-L711 HydrophobicContact CE2-CB 4.06Å; Y669-L711 HydrophobicContact CE2-CD2 4.01Å; Y669-L711 HydrophobicContact CE2-CG 3.92Å; Y669-L711 WeakPolarHBondContact CE2-O 3.4Å; Y669-L711 HydrophobicContact CG-CD2 4.44Å; Y669-L711 VanDerWaalsContact CZ-O 3.27Å; Y669-L711 PolarHBondContact OH-O 3.49Å; Y669-L712 VanDerWaalsContact CE1-O 3.23Å; Y669-L712 WeakPolarHBondContact CE1-O 3.46Å; Y669-L712 VanDerWaalsContact OH-C 3.3Å; Y669-L712 VanDerWaalsContact OH-CA 3.32Å; Y669-L712 WeakPolarHBondContact OH-CA 3.24Å; Y669-L712 PolarHBondContact OH-O 2.9Å; Y669-T714 HydrophobicContact CG-CG2 4.44Å
670	L	87.8	Confident	84.6	Confident	13 Å²	13	46.5 Å²	46.5	7%	0.068	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	124.4	176.7	179.9	70.5	0	0	0	106.2	L626 D628 A639 V641 L647 L679 C680 I681	L626-L670 HydrophobicContact CB-CB 3.88Å; L626-L670 HydrophobicContact CB-CD2 4.17Å; L626-L670 HydrophobicContact CD1-CB 4.23Å; D628-L670 HydrophobicContact CB-CD2 4.22Å; D628-L670 HydrophobicContact CB-CG 4.06Å; A639-L670 HydrophobicContact CB-CD1 4.36Å; A639-L670 HydrophobicContact CB-CD2 3.84Å; A639-L670 HydrophobicContact CB-CG 4.38Å; A639-L670 WeakPolarHBondContact O-CD2 3.4Å; V641-L670 HydrophobicContact CG2-CD1 4.41Å; V641-L670 HydrophobicContact CG2-CD2 4.29Å; L647-L670 HydrophobicContact CD1-CD1 4.17Å; L670-L679 HydrophobicContact CD1-CD1 3.56Å; L670-L679 HydrophobicContact CD1-CD2 4.01Å; L670-L679 HydrophobicContact CD1-CG 3.89Å; L670-L679 HydrophobicContact CG-CD1 4.12Å; L670-C680 CarbonylContact C-O 3.59Å; L670-C680 WeakPolarHBondContact CA-O 3.21Å; L670-I681 HydrophobicContact CD1-CD1 3.69Å; L670-I681 HydrophobicContact CD1-CG1 3.49Å; L670-I681 VanDerWaalsContact CD1-CG1 3.49Å
671	H	88.3	Confident	84.7	Confident	62 Å²	62	42.2 Å²	42.2	29%	0.287	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	128.7	179.9	-161.4	-70.6	0	0	0	111.5	D628 C680 T714 F716	D628-H671 WeakPolarHBondContact OD2-CA 3.22Å; H671-C680 PolarHBondContact N-O 2.71Å; H671-C680 PolarHBondContact O-N 3.36Å; H671-T714 VanDerWaalsContact CB-OG1 3.32Å; H671-T714 WeakPolarHBondContact CB-OG1 3.41Å; H671-T714 PolarHBondContact CD2-O 2.85Å; H671-F716 HydrophobicContact CB-CE2 4.39Å; H671-F716 AromaticContact ND1-CD2 3.4Å; H671-F716 WeakPolarHBondContact ND1-CD2 3.48Å; H671-F716 AromaticContact ND1-CE2 3.79Å; H671-F716 WeakPolarHBondContact O-CE2 3.21Å
672	W	89.2	Confident	84.7	Confident	6 Å²	6	41.6 Å²	41.6	2%	0.023	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	147.2	172.6	-77.9	102.5	0	0	0	111.5	D628 V630 L637 A639 V649 G676 L679 F693 F716	D628-W672 PolarHBondContact O-NE1 3.5Å; D628-W672 PolarHBondContact OD2-N 2.9Å; V630-W672 HydrophobicContact CB-CB 3.66Å; V630-W672 HydrophobicContact CB-CD2 4.22Å; V630-W672 HydrophobicContact CB-CG 3.75Å; V630-W672 HydrophobicContact CG1-CB 3.94Å; V630-W672 HydrophobicContact CG1-CD2 3.47Å; V630-W672 VanDerWaalsContact CG1-CD2 3.47Å; V630-W672 HydrophobicContact CG1-CE3 3.81Å; V630-W672 HydrophobicContact CG1-CG 3.55Å; V630-W672 HydrophobicContact CG2-CB 4.26Å; L637-W672 HydrophobicContact CB-CZ2 4.32Å; L637-W672 HydrophobicContact CD1-CH2 4.4Å; A639-W672 HydrophobicContact CB-CZ2 3.75Å; V649-W672 HydrophobicContact CG1-CH2 4.17Å; V649-W672 HydrophobicContact CG1-CZ2 3.99Å; V649-W672 HydrophobicContact CG2-CH2 4.17Å; V649-W672 HydrophobicContact CG2-CZ2 3.86Å; W672-G676 VanDerWaalsContact CZ3-O 3.26Å; W672-G676 WeakPolarHBondContact CZ3-O 3.24Å; W672-L679 HydrophobicContact CD2-CB 4.37Å; W672-L679 HydrophobicContact CD2-CD1 3.66Å; W672-L679 HydrophobicContact CE3-CB 3.99Å; W672-L679 HydrophobicContact CE3-CD1 4.14Å; W672-L679 HydrophobicContact CG-CD1 3.83Å; W672-L679 HydrophobicContact CH2-CB 4.37Å; W672-L679 HydrophobicContact CH2-CD2 4.35Å; W672-L679 HydrophobicContact CZ2-CD1 4.28Å; W672-L679 HydrophobicContact CZ2-CD2 4.21Å; W672-L679 HydrophobicContact CZ3-CB 3.99Å; W672-F693 HydrophobicContact CH2-CB 3.85Å; W672-F693 HydrophobicContact CH2-CD1 4.28Å; W672-F693 AromaticContact CH2-CG 3.98Å; W672-F693 HydrophobicContact CH2-CG 3.98Å; W672-F693 HydrophobicContact CZ3-CB 3.82Å; W672-F693 HydrophobicContact CZ3-CG 4.35Å; W672-F716 WeakPolarHBondContact O-CD2 3.35Å
673	S	88.7	Confident	84.7	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.007	18%	0.18	C	C	.	.			trans	-69.8	153.2	163.6	60.5	0	0	0	0	110.6	V630 N675 G676 R677 Y678	V630-S673 WeakPolarHBondContact CG2-O 3.22Å; S673-N675 WeakPolarHBondContact CB-OD1 3.36Å; S673-N675 PolarHBondContact O-N 3.18Å; S673-N675 VanDerWaalsContact O-N 3.13Å; S673-N675 PolarHBondContact OG-OD1 3.45Å; S673-G676 PolarHBondContact O-N 2.81Å; S673-R677 PolarHBondContact OG-N 3.42Å; S673-Y678 PolarHBondContact N-O 3.05Å; S673-Y678 PolarHBondContact OG-N 3.13Å; S673-Y678 PolarHBondContact OG-O 3.42Å; S673-Y678 VanDerWaalsContact OG-O 3.13Å
674	A	82.6	Confident	84.6	Confident	63 Å²	63	37.5 Å²	37.5	52%	0.521	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-27	-177.9	0	0	0	0	0	113.6	S720	A674-S720 WeakPolarHBondContact CA-OG 3.44Å; A674-S720 WeakPolarHBondContact CB-OG 3.3Å; A674-S720 PolarHBondContact N-OG 2.78Å
675	N	81.7	Confident	84.4	Confident	75 Å²	75	36.8 Å²	36.8	40%	0.401	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-2.5	174.4	66.6	7.6	0	0	0	114.6	S673 R677 S720	S673-N675 WeakPolarHBondContact CB-OD1 3.36Å; S673-N675 PolarHBondContact O-N 3.18Å; S673-N675 VanDerWaalsContact O-N 3.13Å; S673-N675 PolarHBondContact OG-OD1 3.45Å; N675-R677 PolarHBondContact O-N 3.02Å; N675-R677 WeakPolarHBondContact OD1-CB 3.26Å; N675-R677 PolarHBondContact OD1-N 3.23Å; N675-S720 PolarHBondContact N-OG 2.84Å; N675-S720 WeakPolarHBondContact ND2-CB 3.26Å
676	G	83.7	Confident	84.6	Confident	4 Å²	4	33.2 Å²	33.2	4%	0.041	18%	0.182	C	C	.	.	S	Bend	trans	66	10.9	-178.7	0	0	0	0	0	116.4	W672 S673	W672-G676 VanDerWaalsContact CZ3-O 3.26Å; W672-G676 WeakPolarHBondContact CZ3-O 3.24Å; S673-G676 PolarHBondContact O-N 2.81Å
677	R	85.5	Confident	84.8	Confident	116 Å²	116	33.9 Å²	33.9	44%	0.438	18%	0.184	S	C	.	.	S	Bend	trans	-84.4	-34.9	179.1	-172	178.4	-176.3	-175.7	1	112.9	S673 N675 T692 F693 E694	S673-R677 PolarHBondContact OG-N 3.42Å; N675-R677 PolarHBondContact O-N 3.02Å; N675-R677 WeakPolarHBondContact OD1-CB 3.26Å; N675-R677 PolarHBondContact OD1-N 3.23Å; R677-T692 WeakPolarHBondContact O-CA 3.43Å; R677-F693 PolarHBondContact O-N 2.88Å; R677-E694 IonicContact CZ-OE1 2.83Å; R677-E694 IonicContact NE-OE1 3.74Å; R677-E694 PolarHBondContact NE-OE1 3.35Å; R677-E694 IonicContact NH2-OE1 3.77Å; R677-E694 PolarHBondContact NH2-OE1 3.04Å
678	Y	87.8	Confident	84.9	Confident	29 Å²	29	34 Å²	34	11%	0.114	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	142.3	-175.4	-53.5	-71	0	0	0	110.7	S673 W691 T692 F701	S673-Y678 PolarHBondContact N-O 3.05Å; S673-Y678 PolarHBondContact OG-N 3.13Å; S673-Y678 PolarHBondContact OG-O 3.42Å; S673-Y678 VanDerWaalsContact OG-O 3.13Å; Y678-W691 CarbonylContact C-O 3.51Å; Y678-W691 VanDerWaalsContact CA-O 3.31Å; Y678-W691 WeakPolarHBondContact CA-O 3.26Å; Y678-T692 HydrophobicContact CD1-CG2 3.73Å; Y678-T692 HydrophobicContact CE1-CG2 3.66Å; Y678-F701 HydrophobicContact CD1-CD1 4.49Å; Y678-F701 AromaticContact CD1-CE1 3.6Å; Y678-F701 HydrophobicContact CD1-CE1 3.6Å; Y678-F701 AromaticContact CD1-CZ 3.75Å; Y678-F701 HydrophobicContact CD1-CZ 3.75Å; Y678-F701 HydrophobicContact CE1-CE1 4.07Å; Y678-F701 AromaticContact CE1-CZ 3.91Å; Y678-F701 HydrophobicContact CE1-CZ 3.91Å
679	L	88.9	Confident	85.1	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	119.7	176.6	179.1	66.3	0	0	0	108.9	A639 L647 V649 L670 W672 W691 L698	A639-L679 HydrophobicContact CB-CD1 4.13Å; A639-L679 HydrophobicContact CB-CD2 4.03Å; L647-L679 HydrophobicContact CD1-CD2 4Å; L647-L679 HydrophobicContact CD2-CD2 3.87Å; V649-L679 HydrophobicContact CG2-CD2 4.42Å; L670-L679 HydrophobicContact CD1-CD1 3.56Å; L670-L679 HydrophobicContact CD1-CD2 4.01Å; L670-L679 HydrophobicContact CD1-CG 3.89Å; L670-L679 HydrophobicContact CG-CD1 4.12Å; W672-L679 HydrophobicContact CD2-CB 4.37Å; W672-L679 HydrophobicContact CD2-CD1 3.66Å; W672-L679 HydrophobicContact CE3-CB 3.99Å; W672-L679 HydrophobicContact CE3-CD1 4.14Å; W672-L679 HydrophobicContact CG-CD1 3.83Å; W672-L679 HydrophobicContact CH2-CB 4.37Å; W672-L679 HydrophobicContact CH2-CD2 4.35Å; W672-L679 HydrophobicContact CZ2-CD1 4.28Å; W672-L679 HydrophobicContact CZ2-CD2 4.21Å; W672-L679 HydrophobicContact CZ3-CB 3.99Å; L679-W691 HydrophobicContact CB-CB 4.21Å; L679-W691 PolarHBondContact N-O 3.18Å; L679-W691 PolarHBondContact O-N 2.92Å; L679-L698 HydrophobicContact CD2-CD2 4.39Å
680	C	88.8	Confident	85.3	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.2	179	173.5	0	0	0	0	110.6	L670 H671 V688 L690 F716 L723	L670-C680 CarbonylContact C-O 3.59Å; L670-C680 WeakPolarHBondContact CA-O 3.21Å; H671-C680 PolarHBondContact N-O 2.71Å; H671-C680 PolarHBondContact O-N 3.36Å; C680-V688 VanDerWaalsContact SG-CG1 3.57Å; C680-L690 HydrophobicContact CB-CD2 3.7Å; C680-F716 HydrophobicContact CB-CE2 3.84Å; C680-F716 HydrophobicContact CB-CZ 3.77Å; C680-L723 HydrophobicContact CB-CD1 4.36Å; C680-L723 HydrophobicContact CB-CD2 4.19Å
681	I	88.2	Confident	85.4	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	119.4	173.1	-61.7	-178.8	0	0	0	108.9	L647 I663 A667 Y669 L670 V688 K689	L647-I681 HydrophobicContact CD1-CD1 4.16Å; L647-I681 HydrophobicContact CD2-CD1 3.83Å; L647-I681 HydrophobicContact CG-CD1 4.46Å; I663-I681 HydrophobicContact CD1-CD1 3.18Å; I663-I681 HydrophobicContact CG2-CG2 4.38Å; A667-I681 HydrophobicContact CB-CG2 3.89Å; Y669-I681 VanDerWaalsContact O-CA 3.3Å; Y669-I681 WeakPolarHBondContact O-CA 3.37Å; L670-I681 HydrophobicContact CD1-CD1 3.69Å; L670-I681 HydrophobicContact CD1-CG1 3.49Å; L670-I681 VanDerWaalsContact CD1-CG1 3.49Å; I681-V688 CarbonylContact O-C 3.57Å; I681-V688 WeakPolarHBondContact O-CA 3.18Å; I681-K689 PolarHBondContact N-O 3.14Å; I681-K689 PolarHBondContact O-N 2.95Å
682	A	86.5	Confident	85.4	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	135.3	176.8	0	0	0	0	0	110.9	C668 Y669 Q687 V688 L711 T714	C668-A682 PolarHBondContact N-O 3.23Å; Y669-A682 HydrophobicContact CD2-CB 4.45Å; Y669-A682 PolarHBondContact N-O 3.3Å; Y669-A682 VanDerWaalsContact N-O 3.1Å; Y669-A682 PolarHBondContact O-N 2.98Å; A682-Q687 CarbonylContact C-O 3.54Å; A682-Q687 WeakPolarHBondContact CA-O 3.42Å; A682-V688 HydrophobicContact CB-CG2 3.95Å; A682-L711 HydrophobicContact CB-CD2 3.25Å; A682-T714 HydrophobicContact CB-CG2 4.43Å
683	H	86.3	Confident	85.2	Confident	4 Å²	4	28.6 Å²	28.6	2%	0.019	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	159	-177.2	-68	-93.4	0	0	0	111.5	I663 D666 D685 G686 Q687	I663-H683 VanDerWaalsContact CG2-CE1 3.45Å; I663-H683 WeakPolarHBondContact CG2-CE1 3.43Å; D666-H683 IonicContact OD1-CE1 2.78Å; D666-H683 IonicContact OD1-CG 3.17Å; D666-H683 IonicContact OD1-ND1 2.85Å; D666-H683 PolarHBondContact OD1-ND1 2.82Å; D666-H683 IonicContact OD2-ND1 3.1Å; H683-D685 WeakPolarHBondContact CB-OD1 3.24Å; H683-D685 PolarHBondContact O-N 2.92Å; H683-G686 PolarHBondContact O-N 3.45Å; H683-G686 VanDerWaalsContact O-N 3.16Å; H683-Q687 HydrophobicContact CB-CB 4.14Å; H683-Q687 WeakPolarHBondContact CB-O 3.42Å; H683-Q687 PolarHBondContact CD2-O 3.46Å; H683-Q687 PolarHBondContact N-O 2.82Å
684	S	79.5	Confident	85	Confident	85 Å²	85	32 Å²	32	59%	0.594	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-25.9	179.6	69.3	0	0	0	0	113.7	D666 C668 G686	D666-S684 PolarHBondContact O-N 3.42Å; D666-S684 PolarHBondContact OD2-OG 3.07Å; C668-S684 VanDerWaalsContact SG-CB 3.57Å; S684-G686 VanDerWaalsContact C-N 3.26Å; S684-G686 PolarHBondContact O-N 3.15Å
685	D	76.8	Confident	84.8	Confident	66 Å²	66	36.4 Å²	36.4	35%	0.353	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-2.4	178.9	72.9	-14.3	0	0	0	113.7	H683 Q687 F705	H683-D685 WeakPolarHBondContact CB-OD1 3.24Å; H683-D685 PolarHBondContact O-N 2.92Å; D685-Q687 VanDerWaalsContact OD1-CB 3.28Å; D685-Q687 WeakPolarHBondContact OD1-CB 3.4Å; D685-Q687 WeakPolarHBondContact OD1-CG 3.47Å; D685-Q687 PolarHBondContact OD1-N 2.83Å; D685-Q687 VanDerWaalsContact OD2-CD 3.26Å; D685-Q687 WeakPolarHBondContact OD2-CG 3.44Å; D685-Q687 PolarHBondContact OD2-NE2 2.83Å; D685-F705 VanDerWaalsContact O-CE2 3.24Å; D685-F705 WeakPolarHBondContact O-CE2 3.1Å
686	G	78.5	Confident	84.7	Confident	12 Å²	12	35.1 Å²	35.1	12%	0.124	18%	0.184	C	C	.	.	S	Bend	trans	91.5	-0.1	-176.8	0	0	0	0	0	114.6	H683 S684 V706	H683-G686 PolarHBondContact O-N 3.45Å; H683-G686 VanDerWaalsContact O-N 3.16Å; S684-G686 VanDerWaalsContact C-N 3.26Å; S684-G686 PolarHBondContact O-N 3.15Å; G686-V706 WeakPolarHBondContact CA-O 3.26Å; G686-V706 PolarHBondContact O-N 2.95Å
687	Q	83.5	Confident	84.7	Confident	53 Å²	53	40.8 Å²	40.8	25%	0.248	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	133.9	171.4	-69.9	-178.5	34.5	0	0	110.9	A682 H683 D685 F705	A682-Q687 CarbonylContact C-O 3.54Å; A682-Q687 WeakPolarHBondContact CA-O 3.42Å; H683-Q687 HydrophobicContact CB-CB 4.14Å; H683-Q687 WeakPolarHBondContact CB-O 3.42Å; H683-Q687 PolarHBondContact CD2-O 3.46Å; H683-Q687 PolarHBondContact N-O 2.82Å; D685-Q687 VanDerWaalsContact OD1-CB 3.28Å; D685-Q687 WeakPolarHBondContact OD1-CB 3.4Å; D685-Q687 WeakPolarHBondContact OD1-CG 3.47Å; D685-Q687 PolarHBondContact OD1-N 2.83Å; D685-Q687 VanDerWaalsContact OD2-CD 3.26Å; D685-Q687 WeakPolarHBondContact OD2-CG 3.44Å; D685-Q687 PolarHBondContact OD2-NE2 2.83Å; Q687-F705 HydrophobicContact CG-CD2 3.88Å; Q687-F705 HydrophobicContact CG-CE2 4.45Å
688	V	85.2	Confident	84.7	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.3	172.7	-178.9	0	0	0	0	108.4	C680 I681 A682 L690 Q703 C704 V706 L723 L725	C680-V688 VanDerWaalsContact SG-CG1 3.57Å; I681-V688 CarbonylContact O-C 3.57Å; I681-V688 WeakPolarHBondContact O-CA 3.18Å; A682-V688 HydrophobicContact CB-CG2 3.95Å; V688-L690 HydrophobicContact CG1-CD2 4.12Å; V688-Q703 CarbonylContact O-C 3.57Å; V688-Q703 WeakPolarHBondContact O-CA 3.39Å; V688-C704 PolarHBondContact N-O 3.25Å; V688-C704 PolarHBondContact O-N 3.13Å; V688-V706 HydrophobicContact CG2-CG2 4.16Å; V688-L723 HydrophobicContact CG1-CD2 4.36Å; V688-L725 HydrophobicContact CG2-CD1 3.81Å; V688-L725 HydrophobicContact CG2-CD2 4.46Å
689	K	86.8	Confident	84.6	Confident	26 Å²	26	39.1 Å²	39.1	11%	0.113	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.5	177.6	-71	179.7	-174.7	156.3	0	109.3	I681 L700 Q703	I681-K689 PolarHBondContact N-O 3.14Å; I681-K689 PolarHBondContact O-N 2.95Å; K689-L700 HydrophobicContact CB-CD1 3.81Å; K689-L700 HydrophobicContact CD-CD1 4.45Å; K689-L700 HydrophobicContact CG-CD1 4.17Å; K689-Q703 HydrophobicContact CG-CB 4.4Å
690	L	87.9	Confident	84.5	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.7	179.2	-55.9	176.1	0	0	0	109.1	C680 V688 F701 A702 L723 L737 I741	C680-L690 HydrophobicContact CB-CD2 3.7Å; V688-L690 HydrophobicContact CG1-CD2 4.12Å; L690-F701 HydrophobicContact CB-CD1 4.08Å; L690-F701 HydrophobicContact CB-CE1 3.43Å; L690-F701 VanDerWaalsContact CB-CE1 3.43Å; L690-F701 HydrophobicContact CB-CZ 3.82Å; L690-F701 HydrophobicContact CD1-CZ 4.18Å; L690-F701 WeakPolarHBondContact O-CD1 3.38Å; L690-F701 PolarHBondContact O-N 3Å; L690-F701 VanDerWaalsContact O-N 3.13Å; L690-A702 HydrophobicContact CB-CB 4.03Å; L690-A702 HydrophobicContact CD1-CB 4.12Å; L690-A702 HydrophobicContact CG-CB 4.47Å; L690-A702 PolarHBondContact N-O 2.88Å; L690-A702 PolarHBondContact O-N 2.89Å; L690-L723 HydrophobicContact CD2-CD2 3.69Å; L690-L737 HydrophobicContact CD1-CD2 3.6Å; L690-I741 HydrophobicContact CD1-CD1 4.21Å
691	W	88.2	Confident	84.2	Confident	24 Å²	24	46.5 Å²	46.5	9%	0.091	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	142.4	-179.9	-60.4	79.9	0	0	0	109.2	A661 I663 Y678 L679 L698 I699 L700	A661-W691 HydrophobicContact CB-CH2 3.72Å; A661-W691 HydrophobicContact CB-CZ3 3.75Å; I663-W691 HydrophobicContact CD1-CZ2 3.98Å; I663-W691 HydrophobicContact CG1-CZ2 4.07Å; Y678-W691 CarbonylContact C-O 3.51Å; Y678-W691 VanDerWaalsContact CA-O 3.31Å; Y678-W691 WeakPolarHBondContact CA-O 3.26Å; L679-W691 HydrophobicContact CB-CB 4.21Å; L679-W691 PolarHBondContact N-O 3.18Å; L679-W691 PolarHBondContact O-N 2.92Å; W691-L698 HydrophobicContact CB-CD2 4.35Å; W691-L698 HydrophobicContact CE3-CB 4.04Å; W691-L698 HydrophobicContact CZ3-CB 4.43Å; W691-I699 CarbonylContact C-O 3.54Å; W691-I699 WeakPolarHBondContact CA-O 3.36Å; W691-L700 HydrophobicContact CD2-CB 4.25Å; W691-L700 HydrophobicContact CD2-CD1 4.18Å; W691-L700 HydrophobicContact CE3-CB 3.95Å; W691-L700 HydrophobicContact CH2-CB 4.13Å; W691-L700 HydrophobicContact CZ2-CB 4.41Å; W691-L700 HydrophobicContact CZ2-CD1 4.18Å; W691-L700 HydrophobicContact CZ3-CB 3.89Å
692	T	88.5	Confident	83.9	Confident	15 Å²	15	47.1 Å²	47.1	9%	0.092	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.7	164.5	43.2	0	0	0	0	108.6	R677 Y678 I699 F701	R677-T692 WeakPolarHBondContact O-CA 3.43Å; Y678-T692 HydrophobicContact CD1-CG2 3.73Å; Y678-T692 HydrophobicContact CE1-CG2 3.66Å; T692-I699 PolarHBondContact N-O 2.78Å; T692-I699 PolarHBondContact O-N 2.62Å; T692-I699 PolarHBondContact OG1-O 3.12Å; T692-F701 HydrophobicContact CG2-CB 4.21Å; T692-F701 HydrophobicContact CG2-CD1 3.53Å; T692-F701 HydrophobicContact CG2-CE1 3.95Å; T692-F701 HydrophobicContact CG2-CG 3.92Å
693	F	86.4	Confident	83.6	Confident	22 Å²	22	53.5 Å²	53.5	10%	0.096	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	99.3	170.9	-176.1	-106.4	0	0	0	109	L637 V649 A659 W672 R677 Q697 L698	L637-F693 HydrophobicContact CD1-CD1 3.59Å; L637-F693 HydrophobicContact CD1-CE1 3.46Å; L637-F693 VanDerWaalsContact CD1-CE1 3.46Å; L637-F693 HydrophobicContact CD1-CZ 4.48Å; L637-F693 HydrophobicContact CD2-CE1 3.78Å; L637-F693 HydrophobicContact CD2-CZ 4.15Å; L637-F693 HydrophobicContact CG-CE1 4.28Å; V649-F693 HydrophobicContact CB-CE2 4.21Å; V649-F693 HydrophobicContact CG1-CD2 4.1Å; V649-F693 HydrophobicContact CG1-CE1 4.47Å; V649-F693 HydrophobicContact CG1-CE2 3.66Å; V649-F693 HydrophobicContact CG1-CZ 3.86Å; A659-F693 HydrophobicContact CB-CE2 4.16Å; W672-F693 HydrophobicContact CH2-CB 3.85Å; W672-F693 HydrophobicContact CH2-CD1 4.28Å; W672-F693 AromaticContact CH2-CG 3.98Å; W672-F693 HydrophobicContact CH2-CG 3.98Å; W672-F693 HydrophobicContact CZ3-CB 3.82Å; W672-F693 HydrophobicContact CZ3-CG 4.35Å; R677-F693 PolarHBondContact O-N 2.88Å; F693-Q697 WeakPolarHBondContact CA-O 3.42Å; F693-L698 HydrophobicContact CB-CD2 4.37Å; F693-L698 HydrophobicContact CD2-CD2 3.98Å; F693-L698 HydrophobicContact CD2-CG 4.16Å
694	E	83.5	Confident	83.2	Confident	73 Å²	73	54.4 Å²	54.4	34%	0.341	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.7	178.8	-67.8	-174.3	-177.1	0	0	109.5	R677 S696 Q697	R677-E694 IonicContact CZ-OE1 2.83Å; R677-E694 IonicContact NE-OE1 3.74Å; R677-E694 PolarHBondContact NE-OE1 3.35Å; R677-E694 IonicContact NH2-OE1 3.77Å; R677-E694 PolarHBondContact NH2-OE1 3.04Å; E694-S696 VanDerWaalsContact C-N 3.26Å; E694-S696 PolarHBondContact O-N 3.32Å; E694-Q697 PolarHBondContact N-O 3.25Å; E694-Q697 PolarHBondContact O-N 3.45Å
695	N	79	Confident	83	Confident	156 Å²	156	56.9 Å²	56.9	83%	0.834	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	39.6	177.2	-58.8	-36.2	0	0	0	114.6	Q697	N695-Q697 PolarHBondContact O-N 3.18Å
696	S	79	Confident	82.8	Confident	47 Å²	47	54 Å²	54	33%	0.329	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	27.4	-176.1	-62.6	0	0	0	0	114.1	T658 E694	T658-S696 VanDerWaalsContact O-O 3.08Å; E694-S696 VanDerWaalsContact C-N 3.26Å; E694-S696 PolarHBondContact O-N 3.32Å
697	Q	83.6	Confident	82.4	Confident	124 Å²	124	58.7 Å²	58.7	58%	0.579	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	144.9	172.6	-65.8	-174.1	-12.7	0	0	110.2	F693 E694 N695	F693-Q697 WeakPolarHBondContact CA-O 3.42Å; E694-Q697 PolarHBondContact N-O 3.25Å; E694-Q697 PolarHBondContact O-N 3.45Å; N695-Q697 PolarHBondContact O-N 3.18Å
698	L	85.8	Confident	82	Confident	25 Å²	25	56.7 Å²	56.7	13%	0.131	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	117.6	171.4	-77.2	164	0	0	0	108.8	L647 V649 A659 A661 L679 W691 F693	L647-L698 HydrophobicContact CD2-CD1 3.73Å; L647-L698 HydrophobicContact CD2-CD2 4.28Å; L647-L698 HydrophobicContact CG-CD1 4.07Å; V649-L698 HydrophobicContact CB-CD1 4.34Å; V649-L698 HydrophobicContact CG2-CD1 3.85Å; V649-L698 HydrophobicContact CG2-CD2 4.03Å; V649-L698 HydrophobicContact CG2-CG 4.3Å; A659-L698 HydrophobicContact CB-CB 4.36Å; A659-L698 HydrophobicContact CB-CD1 3.75Å; A659-L698 HydrophobicContact CB-CG 3.77Å; A661-L698 HydrophobicContact CB-CD1 4.31Å; L679-L698 HydrophobicContact CD2-CD2 4.39Å; W691-L698 HydrophobicContact CB-CD2 4.35Å; W691-L698 HydrophobicContact CE3-CB 4.04Å; W691-L698 HydrophobicContact CZ3-CB 4.43Å; F693-L698 HydrophobicContact CB-CD2 4.37Å; F693-L698 HydrophobicContact CD2-CD2 3.98Å; F693-L698 HydrophobicContact CD2-CG 4.16Å
699	I	86.2	Confident	81.2	Confident	84 Å²	84	60 Å²	60	43%	0.431	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	118.1	179.1	-57.4	169.4	0	0	0	108.4	W691 T692 F701	W691-I699 CarbonylContact C-O 3.54Å; W691-I699 WeakPolarHBondContact CA-O 3.36Å; T692-I699 PolarHBondContact N-O 2.78Å; T692-I699 PolarHBondContact O-N 2.62Å; T692-I699 PolarHBondContact OG1-O 3.12Å; I699-F701 PolarHBondContact O-N 3.44Å; I699-F701 VanDerWaalsContact O-N 3.16Å
700	L	85.7	Confident	80.5	Confident	73 Å²	73	61 Å²	61	38%	0.382	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	111.3	169.9	-178.9	72.8	0	0	0	108.1	K689 W691 A702	K689-L700 HydrophobicContact CB-CD1 3.81Å; K689-L700 HydrophobicContact CD-CD1 4.45Å; K689-L700 HydrophobicContact CG-CD1 4.17Å; W691-L700 HydrophobicContact CD2-CB 4.25Å; W691-L700 HydrophobicContact CD2-CD1 4.18Å; W691-L700 HydrophobicContact CE3-CB 3.95Å; W691-L700 HydrophobicContact CH2-CB 4.13Å; W691-L700 HydrophobicContact CZ2-CB 4.41Å; W691-L700 HydrophobicContact CZ2-CD1 4.18Å; W691-L700 HydrophobicContact CZ3-CB 3.89Å; L700-A702 WeakPolarHBondContact CD1-O 3.28Å
701	F	84.2	Confident	79.9	Confident	83 Å²	83	62.2 Å²	62.2	36%	0.364	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-22.5	-179.4	83	-82.6	0	0	0	112.4	Y678 L690 T692 I699	Y678-F701 HydrophobicContact CD1-CD1 4.49Å; Y678-F701 AromaticContact CD1-CE1 3.6Å; Y678-F701 HydrophobicContact CD1-CE1 3.6Å; Y678-F701 AromaticContact CD1-CZ 3.75Å; Y678-F701 HydrophobicContact CD1-CZ 3.75Å; Y678-F701 HydrophobicContact CE1-CE1 4.07Å; Y678-F701 AromaticContact CE1-CZ 3.91Å; Y678-F701 HydrophobicContact CE1-CZ 3.91Å; L690-F701 HydrophobicContact CB-CD1 4.08Å; L690-F701 HydrophobicContact CB-CE1 3.43Å; L690-F701 VanDerWaalsContact CB-CE1 3.43Å; L690-F701 HydrophobicContact CB-CZ 3.82Å; L690-F701 HydrophobicContact CD1-CZ 4.18Å; L690-F701 WeakPolarHBondContact O-CD1 3.38Å; L690-F701 PolarHBondContact O-N 3Å; L690-F701 VanDerWaalsContact O-N 3.13Å; T692-F701 HydrophobicContact CG2-CB 4.21Å; T692-F701 HydrophobicContact CG2-CD1 3.53Å; T692-F701 HydrophobicContact CG2-CE1 3.95Å; T692-F701 HydrophobicContact CG2-CG 3.92Å; I699-F701 PolarHBondContact O-N 3.44Å; I699-F701 VanDerWaalsContact O-N 3.16Å
702	A	80.7	Confident	79.1	Confident	12 Å²	12	63 Å²	63	10%	0.099	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	148.5	-176.6	0	0	0	0	0	112.5	L690 L700 I741	L690-A702 HydrophobicContact CB-CB 4.03Å; L690-A702 HydrophobicContact CD1-CB 4.12Å; L690-A702 HydrophobicContact CG-CB 4.47Å; L690-A702 PolarHBondContact N-O 2.88Å; L690-A702 PolarHBondContact O-N 2.89Å; L700-A702 WeakPolarHBondContact CD1-O 3.28Å; A702-I741 HydrophobicContact CB-CD1 3.1Å; A702-I741 HydrophobicContact CB-CG1 4.5Å
703	Q	80.1	Confident	78.2	Confident	136 Å²	136	63.6 Å²	63.6	64%	0.636	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.6	135.5	169.2	61.3	-175.2	-8.8	0	0	107.8	V688 K689	V688-Q703 CarbonylContact O-C 3.57Å; V688-Q703 WeakPolarHBondContact O-CA 3.39Å; K689-Q703 HydrophobicContact CG-CB 4.4Å
704	C	77.5	Confident	77.8	Confident	23 Å²	23	63 Å²	63	16%	0.155	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	141	172.1	59.7	0	0	0	0	109.3	V688 V706	V688-C704 PolarHBondContact N-O 3.25Å; V688-C704 PolarHBondContact O-N 3.13Å; C704-V706 HydrophobicContact CB-CG2 4.39Å
705	F	76.7	Confident	77.7	Confident	137 Å²	137	60.3 Å²	60.3	60%	0.601	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	119	170.2	-176	-96.5	0	0	0	107.9	D685 Q687 D707	D685-F705 VanDerWaalsContact O-CE2 3.24Å; D685-F705 WeakPolarHBondContact O-CE2 3.1Å; Q687-F705 HydrophobicContact CG-CD2 3.88Å; Q687-F705 HydrophobicContact CG-CE2 4.45Å; F705-D707 HydrophobicContact CE1-CB 4.08Å
706	V	72.1	Confident	78.1	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.03	29%	0.292	C	S	.	.			trans	-119.3	104.3	-179.2	-165.8	0	0	0	0	107.9	G686 V688 C704 L708 L725 R733 I735	G686-V706 WeakPolarHBondContact CA-O 3.26Å; G686-V706 PolarHBondContact O-N 2.95Å; V688-V706 HydrophobicContact CG2-CG2 4.16Å; C704-V706 HydrophobicContact CB-CG2 4.39Å; V706-L708 HydrophobicContact CB-CD1 4.49Å; V706-L708 HydrophobicContact CG1-CB 4.39Å; V706-L708 HydrophobicContact CG1-CD1 3.51Å; V706-L708 HydrophobicContact CG1-CG 3.68Å; V706-L708 PolarHBondContact O-N 3.05Å; V706-L725 HydrophobicContact CB-CD1 4.25Å; V706-L725 HydrophobicContact CG1-CD1 4.21Å; V706-L725 HydrophobicContact CG2-CD1 3.83Å; V706-R733 HydrophobicContact CG1-CB 4.17Å; V706-R733 HydrophobicContact CG1-CG 3.72Å; V706-I735 HydrophobicContact CG2-CD1 4.37Å
707	D	70.8	Confident	78.4	Confident	111 Å²	111	51.6 Å²	51.6	59%	0.594	28%	0.278	S	S	*	.			trans	-68.3	82.3	174.1	-171.6	16.3	0	0	0	110.1	F705	F705-D707 HydrophobicContact CE1-CB 4.08Å
708	L	74.1	Confident	78.2	Confident	10 Å²	10	48.8 Å²	48.8	5%	0.052	27%	0.27	C	S	.	.			trans	-130.6	84.9	177.9	-80.4	174.1	0	0	0	108.3	V706 G710 L711 L725 Q731 R733	V706-L708 HydrophobicContact CB-CD1 4.49Å; V706-L708 HydrophobicContact CG1-CB 4.39Å; V706-L708 HydrophobicContact CG1-CD1 3.51Å; V706-L708 HydrophobicContact CG1-CG 3.68Å; V706-L708 PolarHBondContact O-N 3.05Å; L708-G710 PolarHBondContact O-N 2.9Å; L708-L711 HydrophobicContact CD1-CD1 4.12Å; L708-L725 HydrophobicContact CD1-CB 3.76Å; L708-Q731 HydrophobicContact CD2-CB 3.44Å; L708-Q731 VanDerWaalsContact CD2-CB 3.44Å; L708-R733 HydrophobicContact CD1-CB 4.16Å; L708-R733 HydrophobicContact CD1-CG 3.68Å; L708-R733 HydrophobicContact CD2-CG 4.05Å; L708-R733 HydrophobicContact CG-CG 3.99Å
709	P	69.2	Low	78.1	Confident	74 Å²	74	50.3 Å²	50.3	48%	0.481	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	134.6	172.8	23.8	-32.4	0	0	0	109.8	S727	P709-S727 PolarHBondContact O-OG 3.22Å
710	G	70.3	Confident	77.9	Confident	45 Å²	45	46.4 Å²	46.4	46%	0.464	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	45.9	178.5	0	0	0	0	0	113.7	L708 L712 S727 R728	L708-G710 PolarHBondContact O-N 2.9Å; G710-L712 PolarHBondContact O-N 3.23Å; G710-S727 WeakPolarHBondContact O-CA 3.28Å; G710-R728 PolarHBondContact O-N 3.17Å
711	L	76.2	Confident	77.8	Confident	28 Å²	28	45.7 Å²	45.7	15%	0.147	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48	126.1	168.4	-173	71	0	0	0	109.6	Y669 A682 L708 T714 L725	Y669-L711 HydrophobicContact CD2-CB 4.5Å; Y669-L711 HydrophobicContact CD2-CD2 3.61Å; Y669-L711 HydrophobicContact CD2-CG 4.02Å; Y669-L711 HydrophobicContact CE2-CB 4.06Å; Y669-L711 HydrophobicContact CE2-CD2 4.01Å; Y669-L711 HydrophobicContact CE2-CG 3.92Å; Y669-L711 WeakPolarHBondContact CE2-O 3.4Å; Y669-L711 HydrophobicContact CG-CD2 4.44Å; Y669-L711 VanDerWaalsContact CZ-O 3.27Å; Y669-L711 PolarHBondContact OH-O 3.49Å; A682-L711 HydrophobicContact CB-CD2 3.25Å; L708-L711 HydrophobicContact CD1-CD1 4.12Å; L711-T714 HydrophobicContact CD2-CG2 4.08Å; L711-L725 HydrophobicContact CD1-CB 3.88Å; L711-L725 HydrophobicContact CD1-CD2 4.38Å
712	L	72.3	Confident	77.8	Confident	39 Å²	39	43.2 Å²	43.2	20%	0.204	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-42.9	-172.1	-179.1	86.4	0	0	0	111.7	Y669 G710 A726 R728 V754	Y669-L712 VanDerWaalsContact CE1-O 3.23Å; Y669-L712 WeakPolarHBondContact CE1-O 3.46Å; Y669-L712 VanDerWaalsContact OH-C 3.3Å; Y669-L712 VanDerWaalsContact OH-CA 3.32Å; Y669-L712 WeakPolarHBondContact OH-CA 3.24Å; Y669-L712 PolarHBondContact OH-O 2.9Å; G710-L712 PolarHBondContact O-N 3.23Å; L712-A726 WeakPolarHBondContact CB-O 3.46Å; L712-A726 PolarHBondContact N-O 2.86Å; L712-R728 HydrophobicContact CD1-CB 4.32Å; L712-R728 HydrophobicContact CD1-CG 4.35Å; L712-V754 HydrophobicContact CD2-CB 4.48Å; L712-V754 HydrophobicContact CD2-CG1 4.02Å; L712-V754 WeakPolarHBondContact CD2-O 3Å
713	C	68.7	Low	78.1	Confident	29 Å²	29	42.7 Å²	42.7	20%	0.196	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	154.2	179.7	63	0	0	0	0	111.6	A726	C713-A726 PolarHBondContact N-O 2.82Å; C713-A726 PolarHBondContact O-N 2.95Å; C713-A726 VanDerWaalsContact SG-CB 3.59Å
714	T	78.2	Confident	78.4	Confident	10 Å²	10	36.3 Å²	36.3	6%	0.061	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132	170.2	61.6	0	0	0	0	107.3	Y669 H671 A682 L711 L724 L725	Y669-T714 HydrophobicContact CG-CG2 4.44Å; H671-T714 VanDerWaalsContact CB-OG1 3.32Å; H671-T714 WeakPolarHBondContact CB-OG1 3.41Å; H671-T714 PolarHBondContact CD2-O 2.85Å; A682-T714 HydrophobicContact CB-CG2 4.43Å; L711-T714 HydrophobicContact CD2-CG2 4.08Å; T714-L724 CarbonylContact C-O 3.52Å; T714-L724 VanDerWaalsContact CA-O 3.26Å; T714-L724 WeakPolarHBondContact CA-O 3.36Å; T714-L725 HydrophobicContact CG2-CD2 3.32Å
715	A	82	Confident	78.8	Confident	16 Å²	16	35.2 Å²	35.2	13%	0.132	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	133.8	178.2	0	0	0	0	0	109.5	L724	A715-L724 PolarHBondContact N-O 2.87Å; A715-L724 WeakPolarHBondContact O-CB 3.4Å; A715-L724 PolarHBondContact O-N 2.8Å
716	F	85.9	Confident	79.2	Confident	16 Å²	16	28.7 Å²	28.7	7%	0.07	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	153.4	168.2	-72	-99.2	0	0	0	110.1	H671 W672 C680 K722 L723 L737	H671-F716 HydrophobicContact CB-CE2 4.39Å; H671-F716 AromaticContact ND1-CD2 3.4Å; H671-F716 WeakPolarHBondContact ND1-CD2 3.48Å; H671-F716 AromaticContact ND1-CE2 3.79Å; H671-F716 WeakPolarHBondContact O-CE2 3.21Å; W672-F716 WeakPolarHBondContact O-CD2 3.35Å; C680-F716 HydrophobicContact CB-CE2 3.84Å; C680-F716 HydrophobicContact CB-CZ 3.77Å; F716-K722 CarbonylContact C-O 3.43Å; F716-K722 WeakPolarHBondContact CA-O 3.33Å; F716-L723 HydrophobicContact CD1-CB 4.35Å; F716-L723 HydrophobicContact CD1-CD1 4.33Å; F716-L723 HydrophobicContact CD2-CD1 3.95Å; F716-L723 HydrophobicContact CE1-CB 4.26Å; F716-L723 HydrophobicContact CE1-CD1 4.2Å; F716-L723 HydrophobicContact CE2-CD1 3.79Å; F716-L723 HydrophobicContact CG-CD1 4.23Å; F716-L723 HydrophobicContact CZ-CD1 3.93Å; F716-L737 HydrophobicContact CD1-CD1 3.8Å; F716-L737 HydrophobicContact CE1-CD1 3.51Å
717	T	85.3	Confident	79.9	Confident	3 Å²	3	28.5 Å²	28.5	2%	0.018	17%	0.172	C	C	.	.			trans	-66.4	155.8	165.1	47.4	0	0	0	0	110.6	D719 S720 K722 L782	T717-D719 WeakPolarHBondContact CB-OD1 3.1Å; T717-D719 PolarHBondContact O-N 3.22Å; T717-D719 VanDerWaalsContact O-N 3.13Å; T717-D719 PolarHBondContact OG1-OD1 2.9Å; T717-S720 WeakPolarHBondContact O-CA 3.03Å; T717-S720 PolarHBondContact O-N 2.96Å; T717-K722 HydrophobicContact CG2-CB 3.74Å; T717-K722 HydrophobicContact CG2-CD 4.5Å; T717-K722 PolarHBondContact N-O 3.43Å; T717-K722 PolarHBondContact OG1-N 2.84Å; T717-K722 PolarHBondContact OG1-O 2.88Å; T717-L782 HydrophobicContact CG2-CD1 3.51Å
718	P	80.9	Confident	80.4	Confident	65 Å²	65	29.3 Å²	29.3	42%	0.422	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-31.2	-178.8	-29.1	37.3	0	0	0	114.4	S720	P718-S720 VanDerWaalsContact C-N 3.28Å; P718-S720 PolarHBondContact O-N 2.85Å
719	D	82.2	Confident	80.8	Confident	58 Å²	58	34.2 Å²	34.2	31%	0.31	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-3.2	175.4	64.4	-4.5	0	0	0	114.2	T717 L721 Q766	T717-D719 WeakPolarHBondContact CB-OD1 3.1Å; T717-D719 PolarHBondContact O-N 3.22Å; T717-D719 VanDerWaalsContact O-N 3.13Å; T717-D719 PolarHBondContact OG1-OD1 2.9Å; D719-L721 HydrophobicContact CB-CD1 4.27Å; D719-L721 HydrophobicContact CB-CG 4.02Å; D719-L721 VanDerWaalsContact CG-CG 3.48Å; D719-L721 PolarHBondContact O-N 3.34Å; D719-L721 PolarHBondContact OD1-N 2.86Å; D719-L721 VanDerWaalsContact OD1-N 3.08Å; D719-L721 VanDerWaalsContact OD2-CD1 3.3Å; D719-L721 WeakPolarHBondContact OD2-CD1 3.41Å; D719-Q766 PolarHBondContact OD1-NE2 2.86Å; D719-Q766 PolarHBondContact OD2-NE2 2.8Å
720	S	83.1	Confident	81.4	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.014	17%	0.167	C	C	.	.	S	Bend	trans	61.7	16	-175.8	-58.2	0	0	0	0	115.7	A674 N675 T717 P718 L737	A674-S720 WeakPolarHBondContact CA-OG 3.44Å; A674-S720 WeakPolarHBondContact CB-OG 3.3Å; A674-S720 PolarHBondContact N-OG 2.78Å; N675-S720 PolarHBondContact N-OG 2.84Å; N675-S720 WeakPolarHBondContact ND2-CB 3.26Å; T717-S720 WeakPolarHBondContact O-CA 3.03Å; T717-S720 PolarHBondContact O-N 2.96Å; P718-S720 VanDerWaalsContact C-N 3.28Å; P718-S720 PolarHBondContact O-N 2.85Å; S720-L737 WeakPolarHBondContact O-CD1 3.44Å
721	L	83.2	Confident	82.1	Confident	58 Å²	58	31.6 Å²	31.6	30%	0.304	16%	0.159	S	C	.	.	S	Bend	trans	-89.1	-23.6	-177.3	-56.5	-177.5	0	0	0	112.7	D719 L737 D738	D719-L721 HydrophobicContact CB-CD1 4.27Å; D719-L721 HydrophobicContact CB-CG 4.02Å; D719-L721 VanDerWaalsContact CG-CG 3.48Å; D719-L721 PolarHBondContact O-N 3.34Å; D719-L721 PolarHBondContact OD1-N 2.86Å; D719-L721 VanDerWaalsContact OD1-N 3.08Å; D719-L721 VanDerWaalsContact OD2-CD1 3.3Å; D719-L721 WeakPolarHBondContact OD2-CD1 3.41Å; L721-L737 WeakPolarHBondContact O-CA 3.18Å; L721-L737 WeakPolarHBondContact O-CB 3.43Å; L721-L737 WeakPolarHBondContact O-CG 3.38Å; L721-L737 PolarHBondContact O-N 3.43Å; L721-D738 WeakPolarHBondContact CD1-OD2 3.21Å; L721-D738 WeakPolarHBondContact CD2-OD2 3.35Å
722	K	85.2	Confident	82.6	Confident	31 Å²	31	30.2 Å²	30.2	14%	0.135	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	145.3	-179.9	-62.5	171.2	-175.8	163.5	0	111.2	F716 T717 I734 I735 D736	F716-K722 CarbonylContact C-O 3.43Å; F716-K722 WeakPolarHBondContact CA-O 3.33Å; T717-K722 HydrophobicContact CG2-CB 3.74Å; T717-K722 HydrophobicContact CG2-CD 4.5Å; T717-K722 PolarHBondContact N-O 3.43Å; T717-K722 PolarHBondContact OG1-N 2.84Å; T717-K722 PolarHBondContact OG1-O 2.88Å; K722-I734 HydrophobicContact CB-CG2 4.26Å; K722-I734 HydrophobicContact CD-CG2 4.28Å; K722-I735 CarbonylContact C-O 3.59Å; K722-I735 VanDerWaalsContact CA-O 3.29Å; K722-I735 WeakPolarHBondContact CA-O 3.43Å; K722-D736 WeakPolarHBondContact CE-OD2 3.26Å
723	L	86.1	Confident	83.2	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.4	172.8	174.3	66.9	0	0	0	109.7	C680 V688 L690 F716 L725 I734 I735 L737	C680-L723 HydrophobicContact CB-CD1 4.36Å; C680-L723 HydrophobicContact CB-CD2 4.19Å; V688-L723 HydrophobicContact CG1-CD2 4.36Å; L690-L723 HydrophobicContact CD2-CD2 3.69Å; F716-L723 HydrophobicContact CD1-CB 4.35Å; F716-L723 HydrophobicContact CD1-CD1 4.33Å; F716-L723 HydrophobicContact CD2-CD1 3.95Å; F716-L723 HydrophobicContact CE1-CB 4.26Å; F716-L723 HydrophobicContact CE1-CD1 4.2Å; F716-L723 HydrophobicContact CE2-CD1 3.79Å; F716-L723 HydrophobicContact CG-CD1 4.23Å; F716-L723 HydrophobicContact CZ-CD1 3.93Å; L723-L725 HydrophobicContact CD1-CD2 4.44Å; L723-L725 HydrophobicContact CD2-CD2 4.11Å; L723-L725 HydrophobicContact CD2-CG 4.45Å; L723-L725 HydrophobicContact CG-CD2 4.17Å; L723-L725 HydrophobicContact CG-CG 4.37Å; L723-I734 CarbonylContact O-C 3.56Å; L723-I734 WeakPolarHBondContact O-CA 3.2Å; L723-I735 HydrophobicContact CB-CB 4.37Å; L723-I735 HydrophobicContact CD2-CD1 4.3Å; L723-I735 PolarHBondContact N-O 2.61Å; L723-I735 PolarHBondContact O-N 2.89Å; L723-L737 HydrophobicContact CB-CD1 4.47Å
724	L	86.3	Confident	84	Confident	3 Å²	3	29 Å²	29	2%	0.016	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.2	172.6	178.9	142.2	0	0	0	110.1	T714 A715 A726 L732 R733 I734 V757 V768	T714-L724 CarbonylContact C-O 3.52Å; T714-L724 VanDerWaalsContact CA-O 3.26Å; T714-L724 WeakPolarHBondContact CA-O 3.36Å; A715-L724 PolarHBondContact N-O 2.87Å; A715-L724 WeakPolarHBondContact O-CB 3.4Å; A715-L724 PolarHBondContact O-N 2.8Å; L724-A726 HydrophobicContact CD2-CB 4.24Å; L724-L732 HydrophobicContact CD1-CD2 4.07Å; L724-L732 HydrophobicContact CD2-CD2 4.1Å; L724-L732 HydrophobicContact CG-CD2 4.36Å; L724-R733 CarbonylContact C-O 3.49Å; L724-R733 WeakPolarHBondContact CA-O 3.38Å; L724-I734 HydrophobicContact CB-CG1 4.44Å; L724-I734 HydrophobicContact CD1-CD1 4.43Å; L724-I734 HydrophobicContact CD1-CG1 4.05Å; L724-I734 HydrophobicContact CG-CG1 4.4Å; L724-V757 HydrophobicContact CD1-CG1 4.32Å; L724-V757 HydrophobicContact CD2-CB 4.3Å; L724-V757 HydrophobicContact CD2-CG1 3.64Å; L724-V768 HydrophobicContact CD1-CB 4.33Å; L724-V768 HydrophobicContact CD1-CG1 3.81Å; L724-V768 HydrophobicContact CD1-CG2 3.64Å
725	L	86.2	Confident	84.2	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	120	173.9	-58.6	173.6	0	0	0	108.1	V688 V706 L708 L711 T714 L723 L732 R733 I735	V688-L725 HydrophobicContact CG2-CD1 3.81Å; V688-L725 HydrophobicContact CG2-CD2 4.46Å; V706-L725 HydrophobicContact CB-CD1 4.25Å; V706-L725 HydrophobicContact CG1-CD1 4.21Å; V706-L725 HydrophobicContact CG2-CD1 3.83Å; L708-L725 HydrophobicContact CD1-CB 3.76Å; L711-L725 HydrophobicContact CD1-CB 3.88Å; L711-L725 HydrophobicContact CD1-CD2 4.38Å; T714-L725 HydrophobicContact CG2-CD2 3.32Å; L723-L725 HydrophobicContact CD1-CD2 4.44Å; L723-L725 HydrophobicContact CD2-CD2 4.11Å; L723-L725 HydrophobicContact CD2-CG 4.45Å; L723-L725 HydrophobicContact CG-CD2 4.17Å; L723-L725 HydrophobicContact CG-CG 4.37Å; L725-L732 CarbonylContact O-C 3.55Å; L725-L732 VanDerWaalsContact O-CA 3.25Å; L725-L732 WeakPolarHBondContact O-CA 3.43Å; L725-R733 HydrophobicContact CB-CB 4.38Å; L725-R733 PolarHBondContact N-O 2.75Å; L725-R733 PolarHBondContact O-N 3.29Å; L725-I735 HydrophobicContact CD1-CD1 3.61Å; L725-I735 HydrophobicContact CG-CD1 4.35Å
726	A	84.6	Confident	84.2	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.5	178.6	0	0	0	0	0	111.2	L712 C713 L724 L732 V757	L712-A726 WeakPolarHBondContact CB-O 3.46Å; L712-A726 PolarHBondContact N-O 2.86Å; C713-A726 PolarHBondContact N-O 2.82Å; C713-A726 PolarHBondContact O-N 2.95Å; C713-A726 VanDerWaalsContact SG-CB 3.59Å; L724-A726 HydrophobicContact CD2-CB 4.24Å; A726-L732 HydrophobicContact CB-CD2 3.68Å; A726-L732 HydrophobicContact CB-CG 3.98Å; A726-V757 HydrophobicContact CB-CG2 3.85Å
727	S	86.3	Confident	83.9	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	148.5	168.7	163.8	0	0	0	0	110.5	P709 G710 H729 G730 Q731	P709-S727 PolarHBondContact O-OG 3.22Å; G710-S727 WeakPolarHBondContact O-CA 3.28Å; S727-H729 PolarHBondContact O-N 2.82Å; S727-H729 VanDerWaalsContact O-N 3.15Å; S727-H729 PolarHBondContact OG-N 2.92Å; S727-H729 VanDerWaalsContact OG-N 3.1Å; S727-G730 PolarHBondContact O-N 3.29Å; S727-Q731 WeakPolarHBondContact CB-O 3.31Å; S727-Q731 PolarHBondContact N-O 2.84Å
728	R	81.4	Confident	83.2	Confident	128 Å²	128	36 Å²	36	48%	0.483	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-29.5	172.1	-165.5	175.2	-158	172.4	7.4	112.6	G710 L712 G730 E753 V754	G710-R728 PolarHBondContact O-N 3.17Å; L712-R728 HydrophobicContact CD1-CB 4.32Å; L712-R728 HydrophobicContact CD1-CG 4.35Å; R728-G730 PolarHBondContact O-N 3.48Å; R728-E753 VanDerWaalsContact O-CA 3.24Å; R728-E753 WeakPolarHBondContact O-CA 3.25Å; R728-V754 PolarHBondContact O-N 2.92Å; R728-V754 VanDerWaalsContact O-N 3.1Å
729	H	83.3	Confident	82.1	Confident	113 Å²	113	35.7 Å²	35.7	52%	0.523	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	19.8	-178.7	-58.7	-61	0	0	0	114.1	S727 Q731	S727-H729 PolarHBondContact O-N 2.82Å; S727-H729 VanDerWaalsContact O-N 3.15Å; S727-H729 PolarHBondContact OG-N 2.92Å; S727-H729 VanDerWaalsContact OG-N 3.1Å; H729-Q731 VanDerWaalsContact C-N 3.34Å; H729-Q731 PolarHBondContact O-N 3.22Å
730	G	81.7	Confident	80.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	82.8	6.4	172.8	0	0	0	0	0	115.3	S727 R728 L750 V752	S727-G730 PolarHBondContact O-N 3.29Å; R728-G730 PolarHBondContact O-N 3.48Å; G730-L750 WeakPolarHBondContact O-CB 3.4Å; G730-L750 PolarHBondContact O-N 3.37Å; G730-V752 WeakPolarHBondContact CA-O 3.37Å
731	Q	85.4	Confident	79.9	Confident	64 Å²	64	44.2 Å²	44.2	30%	0.299	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	124.2	175.4	-60.5	-173.7	7.7	0	0	110.1	L708 S727 H729 I748	L708-Q731 HydrophobicContact CD2-CB 3.44Å; L708-Q731 VanDerWaalsContact CD2-CB 3.44Å; S727-Q731 WeakPolarHBondContact CB-O 3.31Å; S727-Q731 PolarHBondContact N-O 2.84Å; H729-Q731 VanDerWaalsContact C-N 3.34Å; H729-Q731 PolarHBondContact O-N 3.22Å; Q731-I748 CarbonylContact C-O 3.59Å; Q731-I748 WeakPolarHBondContact CA-O 3.3Å
732	L	85.3	Confident	78.8	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	141.8	169.9	-50.4	98.9	0	0	0	110.5	L724 L725 A726 I748 L750 V757 I770	L724-L732 HydrophobicContact CD1-CD2 4.07Å; L724-L732 HydrophobicContact CD2-CD2 4.1Å; L724-L732 HydrophobicContact CG-CD2 4.36Å; L725-L732 CarbonylContact O-C 3.55Å; L725-L732 VanDerWaalsContact O-CA 3.25Å; L725-L732 WeakPolarHBondContact O-CA 3.43Å; A726-L732 HydrophobicContact CB-CD2 3.68Å; A726-L732 HydrophobicContact CB-CG 3.98Å; L732-I748 HydrophobicContact CB-CB 4.19Å; L732-I748 HydrophobicContact CD1-CB 4.09Å; L732-I748 HydrophobicContact CD1-CG2 4Å; L732-I748 PolarHBondContact N-O 3.43Å; L732-I748 PolarHBondContact O-N 3.01Å; L732-L750 HydrophobicContact CD1-CD1 3.84Å; L732-L750 HydrophobicContact CD1-CG 4.25Å; L732-V757 HydrophobicContact CD2-CG1 4.37Å; L732-V757 HydrophobicContact CD2-CG2 4Å; L732-I770 HydrophobicContact CD1-CD1 3.86Å; L732-I770 HydrophobicContact CD2-CD1 3.97Å; L732-I770 HydrophobicContact CD2-CG1 4.44Å
733	R	85.7	Confident	77.5	Confident	26 Å²	26	53.9 Å²	53.9	10%	0.098	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.9	173.9	-59.9	-59.8	-178.3	98.4	12.4	109.3	V706 L708 L724 L725 P745 F746 K747	V706-R733 HydrophobicContact CG1-CB 4.17Å; V706-R733 HydrophobicContact CG1-CG 3.72Å; L708-R733 HydrophobicContact CD1-CB 4.16Å; L708-R733 HydrophobicContact CD1-CG 3.68Å; L708-R733 HydrophobicContact CD2-CG 4.05Å; L708-R733 HydrophobicContact CG-CG 3.99Å; L724-R733 CarbonylContact C-O 3.49Å; L724-R733 WeakPolarHBondContact CA-O 3.38Å; L725-R733 HydrophobicContact CB-CB 4.38Å; L725-R733 PolarHBondContact N-O 2.75Å; L725-R733 PolarHBondContact O-N 3.29Å; R733-P745 HydrophobicContact CB-CB 4.35Å; R733-F746 WeakPolarHBondContact CA-O 3.48Å; R733-K747 VanDerWaalsContact NH1-CD 3.32Å
734	I	85.3	Confident	76.5	Confident	17 Å²	17	58 Å²	58	9%	0.087	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.5	175.2	-65.8	150.5	0	0	0	107.2	K722 L723 L724 P745 F746 I748 L782	K722-I734 HydrophobicContact CB-CG2 4.26Å; K722-I734 HydrophobicContact CD-CG2 4.28Å; L723-I734 CarbonylContact O-C 3.56Å; L723-I734 WeakPolarHBondContact O-CA 3.2Å; L724-I734 HydrophobicContact CB-CG1 4.44Å; L724-I734 HydrophobicContact CD1-CD1 4.43Å; L724-I734 HydrophobicContact CD1-CG1 4.05Å; L724-I734 HydrophobicContact CG-CG1 4.4Å; I734-P745 WeakPolarHBondContact O-CB 3.22Å; I734-F746 HydrophobicContact CB-CB 4.38Å; I734-F746 HydrophobicContact CB-CD1 4.5Å; I734-F746 HydrophobicContact CD1-CD1 3.78Å; I734-F746 HydrophobicContact CD1-CE1 4.31Å; I734-F746 PolarHBondContact N-O 3.18Å; I734-F746 PolarHBondContact O-N 3.23Å; I734-I748 HydrophobicContact CD1-CD1 3.76Å; I734-L782 HydrophobicContact CD1-CD2 3.29Å; I734-L782 HydrophobicContact CG1-CD2 4.06Å
735	I	83	Confident	75.8	Confident	5 Å²	5	59 Å²	59	3%	0.026	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124	179	-62.3	163	0	0	0	106.8	V706 K722 L723 L725 L737 I741 P745	V706-I735 HydrophobicContact CG2-CD1 4.37Å; K722-I735 CarbonylContact C-O 3.59Å; K722-I735 VanDerWaalsContact CA-O 3.29Å; K722-I735 WeakPolarHBondContact CA-O 3.43Å; L723-I735 HydrophobicContact CB-CB 4.37Å; L723-I735 HydrophobicContact CD2-CD1 4.3Å; L723-I735 PolarHBondContact N-O 2.61Å; L723-I735 PolarHBondContact O-N 2.89Å; L725-I735 HydrophobicContact CD1-CD1 3.61Å; L725-I735 HydrophobicContact CG-CD1 4.35Å; I735-L737 HydrophobicContact CG2-CD2 4.36Å; I735-I741 HydrophobicContact CG2-CG2 4.14Å; I735-P745 HydrophobicContact CG1-CB 3.93Å
736	D	82.6	Confident	75.5	Confident	71 Å²	71	62 Å²	62	38%	0.38	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	134.2	169.9	-140.9	-38.2	0	0	0	109	K722	K722-D736 WeakPolarHBondContact CE-OD2 3.26Å
737	L	79.4	Confident	75.3	Confident	11 Å²	11	67.7 Å²	67.7	6%	0.058	35%	0.35	C	S	.	.			trans	-98.4	-12.3	-178.4	-56.7	168.7	0	0	0	111.5	L690 F716 S720 L721 L723 I735 G739	L690-L737 HydrophobicContact CD1-CD2 3.6Å; F716-L737 HydrophobicContact CD1-CD1 3.8Å; F716-L737 HydrophobicContact CE1-CD1 3.51Å; S720-L737 WeakPolarHBondContact O-CD1 3.44Å; L721-L737 WeakPolarHBondContact O-CA 3.18Å; L721-L737 WeakPolarHBondContact O-CB 3.43Å; L721-L737 WeakPolarHBondContact O-CG 3.38Å; L721-L737 PolarHBondContact O-N 3.43Å; L723-L737 HydrophobicContact CB-CD1 4.47Å; I735-L737 HydrophobicContact CG2-CD2 4.36Å; L737-G739 PolarHBondContact O-N 2.82Å
738	D	69.2	Low	75.1	Confident	105 Å²	105	67.9 Å²	67.9	56%	0.561	35%	0.351	S	S	*	.	S	Bend	trans	-84.6	83.2	177.2	-77.5	-19	0	0	0	111.5	L721	L721-D738 WeakPolarHBondContact CD1-OD2 3.21Å; L721-D738 WeakPolarHBondContact CD2-OD2 3.35Å
739	G	57.9	Low	75.2	Confident	57 Å²	57	66.2 Å²	66.2	59%	0.588	36%	0.36	S	S	*	.	S	Bend	trans	120.2	-169.2	172.4	0	0	0	0	0	113.9	L737 I741	L737-G739 PolarHBondContact O-N 2.82Å; G739-I741 PolarHBondContact O-N 2.88Å
740	Q	58.2	Low	75.1	Confident	195 Å²	195	62.2 Å²	62.2	91%	0.911	34%	0.342	S	S	*	.	S	Bend	trans	-52.8	117.1	173.3	-81.9	-174.6	-25	0	0	107.9	D742	Q740-D742 PolarHBondContact O-N 2.87Å
741	I	62.2	Low	75	Confident	45 Å²	45	68 Å²	68	23%	0.231	38%	0.382	C	S	.	.			trans	-53.9	112.8	176.7	-67.9	171.9	0	0	0	106.7	L690 A702 I735 G739 D743	L690-I741 HydrophobicContact CD1-CD1 4.21Å; A702-I741 HydrophobicContact CB-CD1 3.1Å; A702-I741 HydrophobicContact CB-CG1 4.5Å; I735-I741 HydrophobicContact CG2-CG2 4.14Å; G739-I741 PolarHBondContact O-N 2.88Å; I741-D743 PolarHBondContact O-N 2.79Å
742	D	60.4	Low	75	Confident	117 Å²	117	65.6 Å²	65.6	63%	0.626	37%	0.372	S	S	*	.			trans	-55.2	127.1	179.2	-82.7	-24.2	0	0	0	108.8	Q740 S744	Q740-D742 PolarHBondContact O-N 2.87Å; D742-S744 PolarHBondContact O-N 2.73Å
743	D	56.7	Low	75	Confident	175 Å²	175	70.7 Å²	70.7	94%	0.936	40%	0.396	S	S	*	.	S	Bend	trans	-56	-21.2	176	-80.3	-26.2	0	0	0	112.1	I741	I741-D743 PolarHBondContact O-N 2.79Å
744	S	64.9	Low	75	Confident	87 Å²	87	69.5 Å²	69.5	61%	0.608	39%	0.392	S	S	*	.	S	Bend	trans	-117.7	89.1	177	63.1	0	0	0	0	111.9	D742	D742-S744 PolarHBondContact O-N 2.73Å
745	P	73.2	Confident	75	Confident	24 Å²	24	70.5 Å²	70.5	16%	0.156	40%	0.397	C	S	.	.			trans	-60.8	144.6	175.3	24.9	-34.2	0	0	0	110.4	R733 I734 I735 K747	R733-P745 HydrophobicContact CB-CB 4.35Å; I734-P745 WeakPolarHBondContact O-CB 3.22Å; I735-P745 HydrophobicContact CG1-CB 3.93Å; P745-K747 WeakPolarHBondContact O-CG 3.37Å; P745-K747 PolarHBondContact O-N 3.31Å
746	F	77.9	Confident	75.2	Confident	61 Å²	61	72.9 Å²	72.9	27%	0.268	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	127.8	179.7	177.9	-106.7	0	0	0	109.7	R733 I734 I748 W780 K785	R733-F746 WeakPolarHBondContact CA-O 3.48Å; I734-F746 HydrophobicContact CB-CB 4.38Å; I734-F746 HydrophobicContact CB-CD1 4.5Å; I734-F746 HydrophobicContact CD1-CD1 3.78Å; I734-F746 HydrophobicContact CD1-CE1 4.31Å; I734-F746 PolarHBondContact N-O 3.18Å; I734-F746 PolarHBondContact O-N 3.23Å; F746-I748 HydrophobicContact CD1-CG1 4.13Å; F746-I748 HydrophobicContact CE1-CD1 4.01Å; F746-I748 HydrophobicContact CE1-CG1 3.53Å; F746-I748 HydrophobicContact CZ-CG1 4.3Å; F746-W780 AromaticContact CE1-NE1 3.98Å; F746-K785 HydrophobicContact CD1-CG 4.34Å; F746-K785 HydrophobicContact CD2-CD 3.7Å; F746-K785 HydrophobicContact CD2-CG 4.17Å; F746-K785 HydrophobicContact CE1-CB 4.08Å; F746-K785 HydrophobicContact CE1-CG 4Å; F746-K785 HydrophobicContact CE2-CB 3.78Å; F746-K785 HydrophobicContact CE2-CD 3.62Å; F746-K785 HydrophobicContact CE2-CG 3.82Å; F746-K785 HydrophobicContact CG-CD 4.24Å; F746-K785 HydrophobicContact CG-CG 4.43Å; F746-K785 HydrophobicContact CZ-CB 3.47Å; F746-K785 VanDerWaalsContact CZ-CB 3.47Å; F746-K785 HydrophobicContact CZ-CD 4.1Å; F746-K785 HydrophobicContact CZ-CG 3.73Å
747	K	81.7	Confident	75.4	Confident	120 Å²	120	70.2 Å²	70.2	52%	0.522	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.6	-172.3	-44.2	-172.7	-175.4	-162.7	0	110.2	R733 P745	R733-K747 VanDerWaalsContact NH1-CD 3.32Å; P745-K747 WeakPolarHBondContact O-CG 3.37Å; P745-K747 PolarHBondContact O-N 3.31Å
748	I	81.8	Confident	75.7	Confident	4 Å²	4	71.2 Å²	71.2	2%	0.021	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120.1	166.1	-56	169.3	0	0	0	106.4	Q731 L732 I734 F746 L750 W780	Q731-I748 CarbonylContact C-O 3.59Å; Q731-I748 WeakPolarHBondContact CA-O 3.3Å; L732-I748 HydrophobicContact CB-CB 4.19Å; L732-I748 HydrophobicContact CD1-CB 4.09Å; L732-I748 HydrophobicContact CD1-CG2 4Å; L732-I748 PolarHBondContact N-O 3.43Å; L732-I748 PolarHBondContact O-N 3.01Å; I734-I748 HydrophobicContact CD1-CD1 3.76Å; F746-I748 HydrophobicContact CD1-CG1 4.13Å; F746-I748 HydrophobicContact CE1-CD1 4.01Å; F746-I748 HydrophobicContact CE1-CG1 3.53Å; F746-I748 HydrophobicContact CZ-CG1 4.3Å; I748-L750 HydrophobicContact CG2-CD2 4.17Å; I748-L750 HydrophobicContact CG2-CG 4.19Å; I748-W780 HydrophobicContact CD1-CD2 3.85Å; I748-W780 HydrophobicContact CD1-CG 3.79Å; I748-W780 HydrophobicContact CD1-CZ2 4.41Å; I748-W780 HydrophobicContact CG1-CD2 4.39Å; I748-W780 HydrophobicContact CG1-CZ2 4.1Å; I748-W780 HydrophobicContact CG2-CD2 4.28Å; I748-W780 HydrophobicContact CG2-CE3 4.07Å; I748-W780 HydrophobicContact CG2-CH2 4Å; I748-W780 HydrophobicContact CG2-CZ2 4.21Å; I748-W780 HydrophobicContact CG2-CZ3 3.92Å
749	S	82.6	Confident	76.5	Confident	94 Å²	94	67.2 Å²	67.2	66%	0.657	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	108.6	175.8	-64.4	0	0	0	0	109
750	L	81.5	Confident	77.9	Confident	29 Å²	29	65.2 Å²	65.2	15%	0.152	36%	0.355	C	S	.	.			trans	-94.9	141	172.2	-57.6	174.5	0	0	0	109	G730 L732 I748 V752 V754 I770 I778	G730-L750 WeakPolarHBondContact O-CB 3.4Å; G730-L750 PolarHBondContact O-N 3.37Å; L732-L750 HydrophobicContact CD1-CD1 3.84Å; L732-L750 HydrophobicContact CD1-CG 4.25Å; I748-L750 HydrophobicContact CG2-CD2 4.17Å; I748-L750 HydrophobicContact CG2-CG 4.19Å; L750-V752 PolarHBondContact O-N 2.92Å; L750-V752 VanDerWaalsContact O-N 3.15Å; L750-V754 HydrophobicContact CD1-CG2 3.96Å; L750-I770 HydrophobicContact CD1-CD1 3.99Å; L750-I770 HydrophobicContact CD1-CG2 4.06Å; L750-I778 HydrophobicContact CD1-CD1 4.09Å; L750-I778 HydrophobicContact CD2-CD1 3.89Å
751	S	81.1	Confident	79	Confident	120 Å²	120	56.5 Å²	56.5	84%	0.839	32%	0.317	S	S	*	.	S	Bend	trans	-80.9	20.9	175.5	64	0	0	0	0	113
752	V	84.3	Confident	79.6	Confident	14 Å²	14	61.1 Å²	61.1	9%	0.085	34%	0.338	C	S	.	.	S	Bend	trans	-141.1	143.9	-165.9	-170.1	0	0	0	0	108.5	G730 L750 C772 E774	G730-V752 WeakPolarHBondContact CA-O 3.37Å; L750-V752 PolarHBondContact O-N 2.92Å; L750-V752 VanDerWaalsContact O-N 3.15Å; V752-C772 HydrophobicContact CG1-CB 3.75Å; V752-E774 HydrophobicContact CG1-CB 3.82Å; V752-E774 VanDerWaalsContact CG1-CD 3.41Å; V752-E774 HydrophobicContact CG1-CG 3.51Å; V752-E774 WeakPolarHBondContact CG2-OE1 3.44Å; V752-E774 WeakPolarHBondContact CG2-OE2 3.4Å
753	E	86	Confident	80.2	Confident	107 Å²	107	63.3 Å²	63.3	50%	0.5	34%	0.344	S	S	.	.			trans	-62.5	139.4	174.3	-63.2	-171.8	167.5	0	0	111.4	R728 C772 G773	R728-E753 VanDerWaalsContact O-CA 3.24Å; R728-E753 WeakPolarHBondContact O-CA 3.25Å; E753-C772 CarbonylContact O-C 3.55Å; E753-C772 VanDerWaalsContact O-CA 3.29Å; E753-C772 WeakPolarHBondContact O-CA 3.46Å; E753-G773 PolarHBondContact O-N 3.04Å
754	V	85.6	Confident	80.8	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.012	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.4	175.5	172.9	0	0	0	0	108.2	L712 R728 L750 V757 I770	L712-V754 HydrophobicContact CD2-CB 4.48Å; L712-V754 HydrophobicContact CD2-CG1 4.02Å; L712-V754 WeakPolarHBondContact CD2-O 3Å; R728-V754 PolarHBondContact O-N 2.92Å; R728-V754 VanDerWaalsContact O-N 3.1Å; L750-V754 HydrophobicContact CD1-CG2 3.96Å; V754-V757 HydrophobicContact CG1-CG2 3.54Å; V754-I770 HydrophobicContact CB-CG2 4.39Å; V754-I770 HydrophobicContact CG1-CG2 3.83Å; V754-I770 HydrophobicContact CG2-CG2 3.73Å
755	N	85.5	Confident	81.5	Confident	38 Å²	38	65.8 Å²	65.8	20%	0.203	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-34.1	179.4	-166.3	54.4	0	0	0	113.2	G771 K797 I798 I799	N755-G771 PolarHBondContact N-O 3.29Å; N755-K797 WeakPolarHBondContact ND2-CE 3.14Å; N755-K797 WeakPolarHBondContact OD1-CE 3.11Å; N755-K797 PolarHBondContact OD1-NZ 3.38Å; N755-I798 PolarHBondContact ND2-O 2.87Å; N755-I799 PolarHBondContact ND2-O 3.08Å
756	K	86.2	Confident	82	Confident	54 Å²	54	64.9 Å²	64.9	24%	0.235	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	145.2	176.1	-173.5	165.4	178.7	173.5	0	111.2	V758 G771 D800 C801	K756-V758 HydrophobicContact CG-CG2 4.42Å; K756-G771 PolarHBondContact N-O 3.3Å; K756-G771 PolarHBondContact O-N 2.84Å; K756-D800 VanDerWaalsContact CD-OD1 3.23Å; K756-D800 WeakPolarHBondContact CD-OD1 3.4Å; K756-D800 WeakPolarHBondContact CE-OD1 3.42Å; K756-D800 IonicContact NZ-OD1 3.83Å; K756-D800 PolarHBondContact NZ-OD1 2.93Å; K756-C801 WeakPolarHBondContact CE-O 3.3Å; K756-C801 PolarHBondContact NZ-O 3.06Å
757	V	86.8	Confident	82.5	Confident	16 Å²	16	62 Å²	62	10%	0.097	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.1	175	-173.3	0	0	0	0	109.5	L724 A726 L732 V754 V768 L769 I770	L724-V757 HydrophobicContact CD1-CG1 4.32Å; L724-V757 HydrophobicContact CD2-CB 4.3Å; L724-V757 HydrophobicContact CD2-CG1 3.64Å; A726-V757 HydrophobicContact CB-CG2 3.85Å; L732-V757 HydrophobicContact CD2-CG1 4.37Å; L732-V757 HydrophobicContact CD2-CG2 4Å; V754-V757 HydrophobicContact CG1-CG2 3.54Å; V757-V768 HydrophobicContact CG1-CG1 3.15Å; V757-L769 CarbonylContact C-O 3.36Å; V757-L769 VanDerWaalsContact CA-O 3.3Å; V757-L769 WeakPolarHBondContact CA-O 3.4Å; V757-I770 HydrophobicContact CG1-CG1 4.45Å
758	V	86	Confident	82.9	Confident	31 Å²	31	56.3 Å²	56.3	19%	0.188	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	122.8	176	-177.7	0	0	0	0	108.3	K756 V768 L769 I803	K756-V758 HydrophobicContact CG-CG2 4.42Å; V758-V768 CarbonylContact O-C 3.56Å; V758-V768 WeakPolarHBondContact O-CA 3.41Å; V758-L769 HydrophobicContact CB-CB 4.34Å; V758-L769 PolarHBondContact N-O 2.55Å; V758-L769 PolarHBondContact O-N 3.36Å; V758-I803 HydrophobicContact CG1-CG2 4.43Å
759	C	86.3	Confident	83.3	Confident	21 Å²	21	56.1 Å²	56.1	14%	0.142	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	136.9	172	-61.6	0	0	0	0	109.2
760	F	86.4	Confident	83.8	Confident	16 Å²	16	51.7 Å²	51.7	7%	0.07	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	170.8	-178.3	68.8	-90.4	0	0	0	111.9	Q766 A767 L769 V779 I803 C807 L824	F760-Q766 WeakPolarHBondContact O-CA 3.39Å; F760-A767 HydrophobicContact CD2-CB 4.4Å; F760-A767 HydrophobicContact CE1-CB 3.93Å; F760-A767 HydrophobicContact CE2-CB 3.81Å; F760-A767 HydrophobicContact CZ-CB 3.57Å; F760-A767 PolarHBondContact N-O 2.85Å; F760-A767 PolarHBondContact O-N 3.26Å; F760-A767 VanDerWaalsContact O-O 3.07Å; F760-L769 HydrophobicContact CD1-CB 4.15Å; F760-L769 HydrophobicContact CE1-CB 3.78Å; F760-V779 HydrophobicContact CE1-CG1 4.18Å; F760-V779 HydrophobicContact CZ-CG1 3.67Å; F760-I803 HydrophobicContact CB-CG2 3.93Å; F760-I803 HydrophobicContact CD1-CD1 4Å; F760-I803 HydrophobicContact CD1-CG2 4.28Å; F760-I803 HydrophobicContact CD2-CD1 3.56Å; F760-I803 HydrophobicContact CE1-CD1 3.91Å; F760-I803 HydrophobicContact CE2-CD1 3.43Å; F760-I803 VanDerWaalsContact CE2-CD1 3.43Å; F760-I803 HydrophobicContact CG-CD1 3.82Å; F760-I803 HydrophobicContact CG-CG2 4.09Å; F760-I803 HydrophobicContact CZ-CD1 3.6Å; F760-C807 HydrophobicContact CD2-CB 4.35Å; F760-C807 HydrophobicContact CE2-CB 4.46Å; F760-L824 HydrophobicContact CE2-CD2 4.2Å; F760-L824 HydrophobicContact CZ-CD2 4.49Å
761	G	81	Confident	84.2	Confident	11 Å²	11	50.3 Å²	50.3	11%	0.113	26%	0.255	C	S	.	.			trans	88.1	156.1	179	0	0	0	0	0	113.5
762	E	75	Confident	84.8	Confident	142 Å²	142	44.6 Å²	44.6	66%	0.664	22%	0.215	S	C	*	.	S	Bend	trans	-111.1	146.4	178.3	-64.7	-174.9	170	0	0	110.6	E764 K765	E762-E764 PolarHBondContact O-N 2.71Å; E762-K765 PolarHBondContact O-N 2.61Å
763	Q	73.3	Confident	85	Confident	164 Å²	164	44.9 Å²	44.9	77%	0.766	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	52.4	-120.7	174.4	-55.1	-179.3	-2.4	0	0	112.6	K765 Q766	Q763-K765 VanDerWaalsContact C-N 3.27Å; Q763-K765 PolarHBondContact O-N 3.07Å; Q763-Q766 VanDerWaalsContact O-CG 3.26Å; Q763-Q766 WeakPolarHBondContact O-CG 3.26Å; Q763-Q766 PolarHBondContact O-N 3.05Å
764	E	70.5	Confident	85.2	Confident	143 Å²	143	43.9 Å²	43.9	67%	0.668	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-73.7	-14.2	-177.6	-63	-161.3	176.6	0	0	114.4	E762 Q766	E762-E764 PolarHBondContact O-N 2.71Å; E764-Q766 VanDerWaalsContact C-N 3.27Å; E764-Q766 PolarHBondContact O-N 3.18Å
765	K	77.9	Confident	85.5	Confident	171 Å²	171	43.8 Å²	43.8	74%	0.743	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-88.9	9.1	178.1	-68.3	-171.5	178.6	-175.7	0	113.2	E762 Q763 A767	E762-K765 PolarHBondContact O-N 2.61Å; Q763-K765 VanDerWaalsContact C-N 3.27Å; Q763-K765 PolarHBondContact O-N 3.07Å; K765-A767 PolarHBondContact O-N 2.83Å
766	Q	84.3	Confident	85.8	Confident	5 Å²	5	42 Å²	42	2%	0.023	21%	0.207	C	C	.	.			trans	-57.5	124	177.3	-81.8	-178.7	-3	0	0	112.1	D719 F760 Q763 E764 L782	D719-Q766 PolarHBondContact OD1-NE2 2.86Å; D719-Q766 PolarHBondContact OD2-NE2 2.8Å; F760-Q766 WeakPolarHBondContact O-CA 3.39Å; Q763-Q766 VanDerWaalsContact O-CG 3.26Å; Q763-Q766 WeakPolarHBondContact O-CG 3.26Å; Q763-Q766 PolarHBondContact O-N 3.05Å; E764-Q766 VanDerWaalsContact C-N 3.27Å; E764-Q766 PolarHBondContact O-N 3.18Å; Q766-L782 HydrophobicContact CB-CB 4.12Å; Q766-L782 HydrophobicContact CB-CD1 4.16Å; Q766-L782 PolarHBondContact O-N 3.29Å
767	A	89	Confident	86.1	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	166.9	-179.3	0	0	0	0	0	111.5	F760 K765 V779 W780 I788	F760-A767 HydrophobicContact CD2-CB 4.4Å; F760-A767 HydrophobicContact CE1-CB 3.93Å; F760-A767 HydrophobicContact CE2-CB 3.81Å; F760-A767 HydrophobicContact CZ-CB 3.57Å; F760-A767 PolarHBondContact N-O 2.85Å; F760-A767 PolarHBondContact O-N 3.26Å; F760-A767 VanDerWaalsContact O-O 3.07Å; K765-A767 PolarHBondContact O-N 2.83Å; A767-V779 HydrophobicContact CB-CG1 4.04Å; A767-W780 CarbonylContact C-O 3.51Å; A767-W780 WeakPolarHBondContact CA-O 3.37Å; A767-W780 WeakPolarHBondContact CB-O 3.31Å; A767-I788 HydrophobicContact CB-CD1 4.23Å
768	V	89.5	Confident	86.4	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.1	178.9	-178.8	0	0	0	0	108.6	L724 V757 V758 I770 V779 W780 L782	L724-V768 HydrophobicContact CD1-CB 4.33Å; L724-V768 HydrophobicContact CD1-CG1 3.81Å; L724-V768 HydrophobicContact CD1-CG2 3.64Å; V757-V768 HydrophobicContact CG1-CG1 3.15Å; V758-V768 CarbonylContact O-C 3.56Å; V758-V768 WeakPolarHBondContact O-CA 3.41Å; V768-I770 HydrophobicContact CG1-CD1 4.37Å; V768-I770 HydrophobicContact CG1-CG1 3.81Å; V768-V779 CarbonylContact O-C 3.48Å; V768-V779 WeakPolarHBondContact O-CA 3.45Å; V768-W780 PolarHBondContact N-O 2.94Å; V768-W780 PolarHBondContact O-N 3.2Å; V768-L782 HydrophobicContact CG2-CD1 3.74Å; V768-L782 HydrophobicContact CG2-CD2 3.55Å; V768-L782 HydrophobicContact CG2-CG 3.71Å
769	L	91.2	Very high	86.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	124.7	169.9	-179.5	66	0	0	0	108.8	V757 V758 F760 L777 I778 V779 C801 I810	V757-L769 CarbonylContact C-O 3.36Å; V757-L769 VanDerWaalsContact CA-O 3.3Å; V757-L769 WeakPolarHBondContact CA-O 3.4Å; V758-L769 HydrophobicContact CB-CB 4.34Å; V758-L769 PolarHBondContact N-O 2.55Å; V758-L769 PolarHBondContact O-N 3.36Å; F760-L769 HydrophobicContact CD1-CB 4.15Å; F760-L769 HydrophobicContact CE1-CB 3.78Å; L769-L777 HydrophobicContact CD1-CD2 4.24Å; L769-I778 CarbonylContact C-O 3.51Å; L769-V779 HydrophobicContact CD1-CG2 3.87Å; L769-C801 HydrophobicContact CD2-CB 4.1Å; L769-I810 HydrophobicContact CD1-CD1 4.04Å; L769-I810 HydrophobicContact CD1-CG2 4.16Å; L769-I810 HydrophobicContact CD2-CG2 3.88Å
770	I	91.6	Very high	86.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.2	-177.6	-53.9	175	0	0	0	108.3	L732 L750 V754 V757 V768 L777 I778	L732-I770 HydrophobicContact CD1-CD1 3.86Å; L732-I770 HydrophobicContact CD2-CD1 3.97Å; L732-I770 HydrophobicContact CD2-CG1 4.44Å; L750-I770 HydrophobicContact CD1-CD1 3.99Å; L750-I770 HydrophobicContact CD1-CG2 4.06Å; V754-I770 HydrophobicContact CB-CG2 4.39Å; V754-I770 HydrophobicContact CG1-CG2 3.83Å; V754-I770 HydrophobicContact CG2-CG2 3.73Å; V757-I770 HydrophobicContact CG1-CG1 4.45Å; V768-I770 HydrophobicContact CG1-CD1 4.37Å; V768-I770 HydrophobicContact CG1-CG1 3.81Å; I770-L777 WeakPolarHBondContact O-CA 3.34Å; I770-I778 HydrophobicContact CB-CB 4.25Å; I770-I778 PolarHBondContact N-O 3.17Å; I770-I778 PolarHBondContact O-N 2.81Å
771	G	91.7	Very high	86.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	116.9	171.1	0	0	0	0	0	111	N755 K756	N755-G771 PolarHBondContact N-O 3.29Å; K756-G771 PolarHBondContact N-O 3.3Å; K756-G771 PolarHBondContact O-N 2.84Å
772	C	92.4	Very high	86.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	155.1	-174.5	-61	0	0	0	0	113.6	V752 E753 E774 G775 S776 I798	V752-C772 HydrophobicContact CG1-CB 3.75Å; E753-C772 CarbonylContact O-C 3.55Å; E753-C772 VanDerWaalsContact O-CA 3.29Å; E753-C772 WeakPolarHBondContact O-CA 3.46Å; C772-E774 VanDerWaalsContact C-N 3.27Å; C772-E774 HydrophobicContact CB-CG 4.34Å; C772-E774 PolarHBondContact O-N 3.47Å; C772-G775 PolarHBondContact O-N 2.87Å; C772-S776 VanDerWaalsContact CB-O 3.22Å; C772-S776 WeakPolarHBondContact CB-O 3.42Å; C772-S776 PolarHBondContact N-O 3.39Å; C772-I798 PolarHBondContact O-N 3.46Å
773	G	88.9	Confident	87.2	Confident	20 Å²	20	37 Å²	37	21%	0.206	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-23.3	175.9	0	0	0	0	0	114.5	E753 K797	E753-G773 PolarHBondContact O-N 3.04Å; G773-K797 WeakPolarHBondContact O-CA 3.4Å; G773-K797 WeakPolarHBondContact O-CB 3.32Å; G773-K797 PolarHBondContact O-N 2.83Å
774	E	90.1	Very high	87.7	Confident	86 Å²	86	35.8 Å²	35.8	40%	0.402	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-7.5	176	77.6	-174	177.5	0	0	113.8	V752 C772 S776 R790	V752-E774 HydrophobicContact CG1-CB 3.82Å; V752-E774 VanDerWaalsContact CG1-CD 3.41Å; V752-E774 HydrophobicContact CG1-CG 3.51Å; V752-E774 WeakPolarHBondContact CG2-OE1 3.44Å; V752-E774 WeakPolarHBondContact CG2-OE2 3.4Å; C772-E774 VanDerWaalsContact C-N 3.27Å; C772-E774 HydrophobicContact CB-CG 4.34Å; C772-E774 PolarHBondContact O-N 3.47Å; E774-S776 WeakPolarHBondContact CG-OG 3.42Å; E774-S776 WeakPolarHBondContact OE1-CB 3.17Å; E774-S776 PolarHBondContact OE1-OG 2.85Å; E774-R790 IonicContact OE1-CZ 3.38Å; E774-R790 IonicContact OE1-NH2 3.13Å; E774-R790 PolarHBondContact OE1-NH2 2.78Å
775	G	91.3	Very high	88.3	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.01	16%	0.16	C	C	.	.	S	Bend	trans	99.7	2	-175.3	0	0	0	0	0	115.8	C772 A793 H794 K796	C772-G775 PolarHBondContact O-N 2.87Å; G775-A793 PolarHBondContact O-N 2.98Å; G775-H794 PolarHBondContact O-N 2.7Å; G775-K796 WeakPolarHBondContact CA-O 3.36Å; G775-K796 PolarHBondContact N-O 2.91Å
776	S	93.2	Very high	88.7	Confident	1 Å²	1	31 Å²	31	1%	0.007	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	139.7	174.6	-65	0	0	0	0	112.2	C772 E774 L791 I798	C772-S776 VanDerWaalsContact CB-O 3.22Å; C772-S776 WeakPolarHBondContact CB-O 3.42Å; C772-S776 PolarHBondContact N-O 3.39Å; E774-S776 WeakPolarHBondContact CG-OG 3.42Å; E774-S776 WeakPolarHBondContact OE1-CB 3.17Å; E774-S776 PolarHBondContact OE1-OG 2.85Å; S776-L791 CarbonylContact C-O 3.53Å; S776-L791 VanDerWaalsContact CA-O 3.3Å; S776-L791 WeakPolarHBondContact CA-O 3.19Å; S776-I798 VanDerWaalsContact O-CD1 3.31Å; S776-I798 WeakPolarHBondContact O-CD1 3.34Å
777	L	92.3	Very high	88.8	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	129.5	161.8	-68.7	165.8	0	0	0	109	L769 I770 R790 L791 A793 I798 C801 I810	L769-L777 HydrophobicContact CD1-CD2 4.24Å; I770-L777 WeakPolarHBondContact O-CA 3.34Å; L777-R790 CarbonylContact O-C 3.6Å; L777-R790 WeakPolarHBondContact O-CA 3.25Å; L777-L791 HydrophobicContact CB-CB 4.24Å; L777-L791 HydrophobicContact CD1-CD1 4.36Å; L777-L791 PolarHBondContact N-O 3.15Å; L777-L791 PolarHBondContact O-N 2.9Å; L777-A793 HydrophobicContact CD1-CB 3.79Å; L777-A793 HydrophobicContact CG-CB 4.01Å; L777-I798 HydrophobicContact CD2-CD1 3.41Å; L777-I798 VanDerWaalsContact CD2-CD1 3.41Å; L777-I798 HydrophobicContact CG-CD1 3.53Å; L777-C801 HydrophobicContact CD2-CB 4.1Å; L777-I810 HydrophobicContact CD1-CG2 4Å
778	I	91.6	Very high	88.8	Confident	7 Å²	7	38.7 Å²	38.7	4%	0.036	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	129	177.6	-58.6	173	0	0	0	108.8	L750 L769 I770 W780 L789 R790	L750-I778 HydrophobicContact CD1-CD1 4.09Å; L750-I778 HydrophobicContact CD2-CD1 3.89Å; L769-I778 CarbonylContact C-O 3.51Å; I770-I778 HydrophobicContact CB-CB 4.25Å; I770-I778 PolarHBondContact N-O 3.17Å; I770-I778 PolarHBondContact O-N 2.81Å; I778-W780 HydrophobicContact CG2-CE3 4.33Å; I778-L789 CarbonylContact C-O 3.55Å; I778-L789 WeakPolarHBondContact CA-O 3.47Å; I778-R790 HydrophobicContact CG1-CB 4.46Å; I778-R790 HydrophobicContact CG1-CG 4.04Å
779	V	91.6	Very high	88.7	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.012	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	122.3	170	-177	0	0	0	0	108.3	F760 A767 V768 L769 I788 L789 I810 L824	F760-V779 HydrophobicContact CE1-CG1 4.18Å; F760-V779 HydrophobicContact CZ-CG1 3.67Å; A767-V779 HydrophobicContact CB-CG1 4.04Å; V768-V779 CarbonylContact O-C 3.48Å; V768-V779 WeakPolarHBondContact O-CA 3.45Å; L769-V779 HydrophobicContact CD1-CG2 3.87Å; V779-I788 HydrophobicContact CB-CB 4.4Å; V779-I788 HydrophobicContact CG1-CB 4.23Å; V779-I788 HydrophobicContact CG1-CD1 4.05Å; V779-I788 HydrophobicContact CG1-CG1 4.45Å; V779-I788 PolarHBondContact O-N 3.27Å; V779-L789 HydrophobicContact CB-CB 4.07Å; V779-L789 HydrophobicContact CG2-CB 4.27Å; V779-L789 PolarHBondContact N-O 3.29Å; V779-L789 PolarHBondContact O-N 2.77Å; V779-I810 HydrophobicContact CG2-CD1 3.95Å; V779-L824 HydrophobicContact CG1-CD1 4.46Å; V779-L824 HydrophobicContact CG2-CD1 3.94Å
780	W	88.6	Confident	88.6	Confident	35 Å²	35	46.6 Å²	46.6	13%	0.133	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.5	-176.9	-162.5	-78.1	0	0	0	111.3	F746 I748 A767 V768 I778 K785 P787	F746-W780 AromaticContact CE1-NE1 3.98Å; I748-W780 HydrophobicContact CD1-CD2 3.85Å; I748-W780 HydrophobicContact CD1-CG 3.79Å; I748-W780 HydrophobicContact CD1-CZ2 4.41Å; I748-W780 HydrophobicContact CG1-CD2 4.39Å; I748-W780 HydrophobicContact CG1-CZ2 4.1Å; I748-W780 HydrophobicContact CG2-CD2 4.28Å; I748-W780 HydrophobicContact CG2-CE3 4.07Å; I748-W780 HydrophobicContact CG2-CH2 4Å; I748-W780 HydrophobicContact CG2-CZ2 4.21Å; I748-W780 HydrophobicContact CG2-CZ3 3.92Å; A767-W780 CarbonylContact C-O 3.51Å; A767-W780 WeakPolarHBondContact CA-O 3.37Å; A767-W780 WeakPolarHBondContact CB-O 3.31Å; V768-W780 PolarHBondContact N-O 2.94Å; V768-W780 PolarHBondContact O-N 3.2Å; I778-W780 HydrophobicContact CG2-CE3 4.33Å; W780-K785 WeakPolarHBondContact CZ2-O 3.47Å; W780-P787 HydrophobicContact CD2-CB 4.37Å; W780-P787 HydrophobicContact CE3-CB 3.63Å; W780-P787 HydrophobicContact CE3-CG 4.25Å; W780-P787 HydrophobicContact CH2-CB 4.44Å; W780-P787 HydrophobicContact CH2-CG 4.18Å; W780-P787 HydrophobicContact CZ3-CB 3.67Å; W780-P787 HydrophobicContact CZ3-CG 3.82Å
781	N	88.6	Confident	88.5	Confident	15 Å²	15	47.2 Å²	47.2	8%	0.08	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	124.7	176.8	-166.7	-63.4	0	0	0	110.3	H783 K784 K785 E786 I788	N781-H783 WeakPolarHBondContact OD1-CA 3.26Å; N781-H783 WeakPolarHBondContact OD1-CB 3.3Å; N781-H783 PolarHBondContact OD1-N 2.91Å; N781-K784 HydrophobicContact CB-CB 4.12Å; N781-K784 PolarHBondContact OD1-N 3.13Å; N781-K785 WeakPolarHBondContact O-CA 3.13Å; N781-K785 PolarHBondContact O-N 3.4Å; N781-E786 PolarHBondContact N-O 2.71Å; N781-I788 HydrophobicContact CB-CD1 3.72Å; N781-I788 HydrophobicContact CB-CG1 3.64Å
782	L	83.3	Confident	88.5	Confident	11 Å²	11	54 Å²	54	6%	0.058	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-27.7	-178.4	-71.1	177.3	0	0	0	113.5	T717 I734 Q766 V768	T717-L782 HydrophobicContact CG2-CD1 3.51Å; I734-L782 HydrophobicContact CD1-CD2 3.29Å; I734-L782 HydrophobicContact CG1-CD2 4.06Å; Q766-L782 HydrophobicContact CB-CB 4.12Å; Q766-L782 HydrophobicContact CB-CD1 4.16Å; Q766-L782 PolarHBondContact O-N 3.29Å; V768-L782 HydrophobicContact CG2-CD1 3.74Å; V768-L782 HydrophobicContact CG2-CD2 3.55Å; V768-L782 HydrophobicContact CG2-CG 3.71Å
783	H	81	Confident	88.3	Confident	113 Å²	113	54 Å²	54	52%	0.523	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-51.1	179.7	-166.3	71.5	0	0	0	111.2	N781 K785	N781-H783 WeakPolarHBondContact OD1-CA 3.26Å; N781-H783 WeakPolarHBondContact OD1-CB 3.3Å; N781-H783 PolarHBondContact OD1-N 2.91Å; H783-K785 VanDerWaalsContact C-N 3.28Å; H783-K785 PolarHBondContact O-N 2.6Å
784	K	82.7	Confident	88.5	Confident	139 Å²	139	53.7 Å²	53.7	60%	0.604	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-13.8	179.2	-62.1	-171	-177.9	-179	0	114	N781 E786	N781-K784 HydrophobicContact CB-CB 4.12Å; N781-K784 PolarHBondContact OD1-N 3.13Å; K784-E786 HydrophobicContact CB-CG 3.81Å; K784-E786 WeakPolarHBondContact CD-OE1 3.46Å; K784-E786 PolarHBondContact O-N 2.81Å
785	K	84	Confident	88.5	Confident	119 Å²	119	58.9 Å²	58.9	52%	0.517	28%	0.275	S	S	.	.			trans	58.9	31.2	179.8	-68.1	175.7	175.4	-179.6	0	113.4	F746 W780 N781 H783	F746-K785 HydrophobicContact CD1-CG 4.34Å; F746-K785 HydrophobicContact CD2-CD 3.7Å; F746-K785 HydrophobicContact CD2-CG 4.17Å; F746-K785 HydrophobicContact CE1-CB 4.08Å; F746-K785 HydrophobicContact CE1-CG 4Å; F746-K785 HydrophobicContact CE2-CB 3.78Å; F746-K785 HydrophobicContact CE2-CD 3.62Å; F746-K785 HydrophobicContact CE2-CG 3.82Å; F746-K785 HydrophobicContact CG-CD 4.24Å; F746-K785 HydrophobicContact CG-CG 4.43Å; F746-K785 HydrophobicContact CZ-CB 3.47Å; F746-K785 VanDerWaalsContact CZ-CB 3.47Å; F746-K785 HydrophobicContact CZ-CD 4.1Å; F746-K785 HydrophobicContact CZ-CG 3.73Å; W780-K785 WeakPolarHBondContact CZ2-O 3.47Å; N781-K785 WeakPolarHBondContact O-CA 3.13Å; N781-K785 PolarHBondContact O-N 3.4Å; H783-K785 VanDerWaalsContact C-N 3.28Å; H783-K785 PolarHBondContact O-N 2.6Å
786	E	86.3	Confident	88.5	Confident	96 Å²	96	64.4 Å²	64.4	45%	0.449	30%	0.299	S	S	.	.	S	Bend	trans	-130.3	152.5	-178.5	70.2	-176.2	169.6	0	0	111.7	N781 K784 I788	N781-E786 PolarHBondContact N-O 2.71Å; K784-E786 HydrophobicContact CB-CG 3.81Å; K784-E786 WeakPolarHBondContact CD-OE1 3.46Å; K784-E786 PolarHBondContact O-N 2.81Å; E786-I788 PolarHBondContact O-N 2.88Å
787	P	86.6	Confident	88.4	Confident	71 Å²	71	67.4 Å²	67.4	46%	0.461	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	125.6	171	27.5	-29.6	0	0	0	109.8	W780	W780-P787 HydrophobicContact CD2-CB 4.37Å; W780-P787 HydrophobicContact CE3-CB 3.63Å; W780-P787 HydrophobicContact CE3-CG 4.25Å; W780-P787 HydrophobicContact CH2-CB 4.44Å; W780-P787 HydrophobicContact CH2-CG 4.18Å; W780-P787 HydrophobicContact CZ3-CB 3.67Å; W780-P787 HydrophobicContact CZ3-CG 3.82Å
788	I	87.4	Confident	88.4	Confident	95 Å²	95	67.3 Å²	67.3	49%	0.487	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-46.3	173.3	-55	-179.2	0	0	0	109.5	A767 V779 N781 E786	A767-I788 HydrophobicContact CB-CD1 4.23Å; V779-I788 HydrophobicContact CB-CB 4.4Å; V779-I788 HydrophobicContact CG1-CB 4.23Å; V779-I788 HydrophobicContact CG1-CD1 4.05Å; V779-I788 HydrophobicContact CG1-CG1 4.45Å; V779-I788 PolarHBondContact O-N 3.27Å; N781-I788 HydrophobicContact CB-CD1 3.72Å; N781-I788 HydrophobicContact CB-CG1 3.64Å; E786-I788 PolarHBondContact O-N 2.88Å
789	L	87.8	Confident	88.4	Confident	30 Å²	30	68.7 Å²	68.7	16%	0.157	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	139.6	-168.8	-176.5	62.5	0	0	0	111	I778 V779 L791 L824 A827	I778-L789 CarbonylContact C-O 3.55Å; I778-L789 WeakPolarHBondContact CA-O 3.47Å; V779-L789 HydrophobicContact CB-CB 4.07Å; V779-L789 HydrophobicContact CG2-CB 4.27Å; V779-L789 PolarHBondContact N-O 3.29Å; V779-L789 PolarHBondContact O-N 2.77Å; L789-L791 HydrophobicContact CD1-CD2 3.95Å; L789-L791 HydrophobicContact CD1-CG 4.26Å; L789-L791 HydrophobicContact CD2-CD1 3.78Å; L789-L791 HydrophobicContact CD2-CD2 3.98Å; L789-L791 HydrophobicContact CD2-CG 3.72Å; L789-L791 HydrophobicContact CG-CD1 4.43Å; L789-L791 HydrophobicContact CG-CD2 4.08Å; L789-L791 HydrophobicContact CG-CG 3.84Å; L789-L824 HydrophobicContact CD2-CD1 4.4Å; L789-A827 HydrophobicContact CD1-CB 3.41Å; L789-A827 VanDerWaalsContact CD1-CB 3.41Å; L789-A827 HydrophobicContact CD2-CB 3.93Å; L789-A827 HydrophobicContact CG-CB 4.32Å
790	R	90.3	Very high	88.4	Confident	136 Å²	136	69.3 Å²	69.3	51%	0.513	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	110.3	166.3	-178.8	170.5	-174.1	-176.9	3.4	108.7	E774 L777 I778	E774-R790 IonicContact OE1-CZ 3.38Å; E774-R790 IonicContact OE1-NH2 3.13Å; E774-R790 PolarHBondContact OE1-NH2 2.78Å; L777-R790 CarbonylContact O-C 3.6Å; L777-R790 WeakPolarHBondContact O-CA 3.25Å; I778-R790 HydrophobicContact CG1-CB 4.46Å; I778-R790 HydrophobicContact CG1-CG 4.04Å
791	L	89.8	Confident	88.6	Confident	14 Å²	14	67.6 Å²	67.6	7%	0.073	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	124.5	176.4	-61	169.7	0	0	0	109.2	S776 L777 L789 A793 W822 A827	S776-L791 CarbonylContact C-O 3.53Å; S776-L791 VanDerWaalsContact CA-O 3.3Å; S776-L791 WeakPolarHBondContact CA-O 3.19Å; L777-L791 HydrophobicContact CB-CB 4.24Å; L777-L791 HydrophobicContact CD1-CD1 4.36Å; L777-L791 PolarHBondContact N-O 3.15Å; L777-L791 PolarHBondContact O-N 2.9Å; L789-L791 HydrophobicContact CD1-CD2 3.95Å; L789-L791 HydrophobicContact CD1-CG 4.26Å; L789-L791 HydrophobicContact CD2-CD1 3.78Å; L789-L791 HydrophobicContact CD2-CD2 3.98Å; L789-L791 HydrophobicContact CD2-CG 3.72Å; L789-L791 HydrophobicContact CG-CD1 4.43Å; L789-L791 HydrophobicContact CG-CD2 4.08Å; L789-L791 HydrophobicContact CG-CG 3.84Å; L791-A793 HydrophobicContact CB-CB 4.43Å; L791-A793 PolarHBondContact O-N 3.18Å; L791-W822 HydrophobicContact CD1-CB 4.07Å; L791-W822 HydrophobicContact CD1-CD2 3.72Å; L791-W822 HydrophobicContact CD1-CE3 3.86Å; L791-W822 HydrophobicContact CD1-CG 3.8Å; L791-W822 HydrophobicContact CD2-CE3 3.98Å; L791-W822 HydrophobicContact CD2-CZ3 4.08Å; L791-W822 HydrophobicContact CG-CE3 4.42Å; L791-A827 HydrophobicContact CD2-CB 3.97Å
792	L	91.1	Very high	88.8	Confident	142 Å²	142	67.7 Å²	67.7	74%	0.743	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	70.9	165.7	-65.3	173.7	0	0	0	108.5
793	A	87.7	Confident	89.1	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.008	32%	0.318	C	S	.	.			trans	-72.1	-46	-166.4	0	0	0	0	0	112.3	G775 L777 L791 K820 W822	G775-A793 PolarHBondContact O-N 2.98Å; L777-A793 HydrophobicContact CD1-CB 3.79Å; L777-A793 HydrophobicContact CG-CB 4.01Å; L791-A793 HydrophobicContact CB-CB 4.43Å; L791-A793 PolarHBondContact O-N 3.18Å; A793-K820 WeakPolarHBondContact O-CD 3.13Å; A793-K820 WeakPolarHBondContact O-CE 3.43Å; A793-K820 PolarHBondContact O-NZ 3.42Å; A793-W822 VanDerWaalsContact CA-CZ2 3.5Å; A793-W822 HydrophobicContact CB-CH2 4.46Å; A793-W822 HydrophobicContact CB-CZ2 3.57Å
794	H	92.7	Very high	89.3	Confident	13 Å²	13	63.4 Å²	63.4	6%	0.06	30%	0.297	C	S	.	.			trans	-129.7	161.4	-170.2	-70.8	-79.6	0	0	0	112.5	G775 S812 S814 D816 T818	G775-H794 PolarHBondContact O-N 2.7Å; H794-S812 PolarHBondContact CD2-OG 3.07Å; H794-S812 PolarHBondContact NE2-O 3.09Å; H794-S812 PolarHBondContact NE2-OG 3.22Å; H794-S814 WeakPolarHBondContact CB-OG 3.42Å; H794-S814 WeakPolarHBondContact ND1-CB 3.27Å; H794-D816 WeakPolarHBondContact CA-OD2 3.12Å; H794-D816 WeakPolarHBondContact CB-OD2 3.36Å; H794-D816 IonicContact CE1-OD1 3.77Å; H794-D816 IonicContact CG-OD2 2.81Å; H794-D816 IonicContact ND1-OD1 3.61Å; H794-D816 PolarHBondContact ND1-OD1 3.43Å; H794-D816 IonicContact ND1-OD2 2.71Å; H794-D816 PolarHBondContact ND1-OD2 2.76Å; H794-D816 VanDerWaalsContact ND1-OD2 3.08Å; H794-T818 PolarHBondContact CE1-OG1 2.97Å; H794-T818 PolarHBondContact ND1-OG1 2.96Å
795	K	89.6	Confident	89.1	Confident	194 Å²	194	63.6 Å²	63.6	84%	0.843	30%	0.299	S	S	*	.	S	Bend	trans	-88.8	-15.1	177.2	-67.9	-179.6	-179	173.3	0	113.3	D816	K795-D816 PolarHBondContact N-OD2 2.83Å
796	K	91.6	Very high	88.8	Confident	117 Å²	117	65 Å²	65	51%	0.509	31%	0.308	S	S	.	.	S	Bend	trans	-133.2	176.8	-179.9	-67.7	-173.3	-178.5	176	0	109.5	G775 I798 S814 D815 D816	G775-K796 WeakPolarHBondContact CA-O 3.36Å; G775-K796 PolarHBondContact N-O 2.91Å; K796-I798 PolarHBondContact O-N 2.68Å; K796-S814 PolarHBondContact O-OG 2.91Å; K796-D815 HydrophobicContact CB-CB 3.94Å; K796-D815 HydrophobicContact CD-CB 4.02Å; K796-D815 WeakPolarHBondContact CD-O 3.21Å; K796-D815 PolarHBondContact NZ-O 3.45Å; K796-D816 HydrophobicContact CB-CB 4.08Å; K796-D816 HydrophobicContact CD-CB 4.31Å; K796-D816 HydrophobicContact CG-CB 4.17Å
797	K	91.4	Very high	88.7	Confident	64 Å²	64	62.2 Å²	62.2	28%	0.278	30%	0.298	S	S	.	.			trans	-48	130.7	178.5	178.6	179.1	-171.6	-151.8	0	113.1	N755 G773 I799 S814 D815	N755-K797 WeakPolarHBondContact ND2-CE 3.14Å; N755-K797 WeakPolarHBondContact OD1-CE 3.11Å; N755-K797 PolarHBondContact OD1-NZ 3.38Å; G773-K797 WeakPolarHBondContact O-CA 3.4Å; G773-K797 WeakPolarHBondContact O-CB 3.32Å; G773-K797 PolarHBondContact O-N 2.83Å; K797-I799 PolarHBondContact O-N 3Å; K797-S814 WeakPolarHBondContact O-CA 3.43Å; K797-S814 PolarHBondContact O-OG 3.49Å; K797-D815 PolarHBondContact O-N 3.14Å
798	I	93.1	Very high	88.6	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	116.8	168.8	-56.3	-173.1	0	0	0	108.2	N755 C772 S776 L777 K796 D800 C801 A813	N755-I798 PolarHBondContact ND2-O 2.87Å; C772-I798 PolarHBondContact O-N 3.46Å; S776-I798 VanDerWaalsContact O-CD1 3.31Å; S776-I798 WeakPolarHBondContact O-CD1 3.34Å; L777-I798 HydrophobicContact CD2-CD1 3.41Å; L777-I798 VanDerWaalsContact CD2-CD1 3.41Å; L777-I798 HydrophobicContact CG-CD1 3.53Å; K796-I798 PolarHBondContact O-N 2.68Å; I798-D800 VanDerWaalsContact CG2-O 3.28Å; I798-D800 WeakPolarHBondContact CG2-O 3.5Å; I798-C801 HydrophobicContact CG2-CB 4.32Å; I798-A813 CarbonylContact C-O 3.59Å; I798-A813 WeakPolarHBondContact CA-O 3.32Å
799	I	91.6	Very high	88.7	Confident	35 Å²	35	60.7 Å²	60.7	18%	0.179	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-48.2	179.1	-59.8	162.6	0	0	0	109.2	N755 K797 A813 D815 V839 P840 Q841	N755-I799 PolarHBondContact ND2-O 3.08Å; K797-I799 PolarHBondContact O-N 3Å; I799-A813 PolarHBondContact N-O 2.99Å; I799-D815 VanDerWaalsContact CD1-OD1 3.23Å; I799-D815 WeakPolarHBondContact CD1-OD1 3.19Å; I799-V839 HydrophobicContact CD1-CG1 3.79Å; I799-P840 WeakPolarHBondContact CD1-O 3.44Å; I799-Q841 WeakPolarHBondContact CG2-O 3.49Å
800	D	91.7	Very high	88.8	Confident	15 Å²	15	59.3 Å²	59.3	8%	0.08	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	151.6	-176.3	-162.1	10.9	0	0	0	111.1	K756 I798 A813 C842 C843	K756-D800 VanDerWaalsContact CD-OD1 3.23Å; K756-D800 WeakPolarHBondContact CD-OD1 3.4Å; K756-D800 WeakPolarHBondContact CE-OD1 3.42Å; K756-D800 IonicContact NZ-OD1 3.83Å; K756-D800 PolarHBondContact NZ-OD1 2.93Å; I798-D800 VanDerWaalsContact CG2-O 3.28Å; I798-D800 WeakPolarHBondContact CG2-O 3.5Å; D800-A813 HydrophobicContact CB-CB 4.34Å; D800-A813 PolarHBondContact N-O 2.54Å; D800-A813 PolarHBondContact O-N 3.26Å; D800-C842 VanDerWaalsContact OD2-CA 3.25Å; D800-C842 WeakPolarHBondContact OD2-CA 3.42Å; D800-C842 WeakPolarHBondContact OD2-CB 3.43Å; D800-C843 PolarHBondContact OD2-N 3.22Å
801	C	92.9	Very high	89	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	150.5	172.1	61.4	0	0	0	0	110.6	K756 L769 L777 I798 A811	K756-C801 WeakPolarHBondContact CE-O 3.3Å; K756-C801 PolarHBondContact NZ-O 3.06Å; L769-C801 HydrophobicContact CD2-CB 4.1Å; L777-C801 HydrophobicContact CD2-CB 4.1Å; I798-C801 HydrophobicContact CG2-CB 4.32Å; C801-A811 VanDerWaalsContact CA-O 3.22Å; C801-A811 WeakPolarHBondContact CA-O 3.39Å; C801-A811 WeakPolarHBondContact CB-O 3.06Å
802	D	92.1	Very high	89.2	Confident	17 Å²	17	52.2 Å²	52.2	9%	0.091	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	157.3	-178.3	-150.6	43.8	0	0	0	110.1	A811 K844 I845	D802-A811 PolarHBondContact N-O 3.35Å; D802-A811 PolarHBondContact O-N 3.17Å; D802-K844 HydrophobicContact CB-CD 4.31Å; D802-K844 VanDerWaalsContact CG-CD 3.49Å; D802-K844 IonicContact OD1-NZ 3.16Å; D802-K844 PolarHBondContact OD1-NZ 2.92Å; D802-K844 WeakPolarHBondContact OD2-CA 3.44Å; D802-K844 WeakPolarHBondContact OD2-CD 3.34Å; D802-K844 IonicContact OD2-NZ 3.13Å; D802-I845 PolarHBondContact OD2-N 3.13Å
803	I	89.1	Confident	89.3	Confident	20 Å²	20	45.4 Å²	45.4	10%	0.103	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	145.4	176.3	-167.2	170.4	0	0	0	108.9	V758 F760 C807 W809 I810 L824	V758-I803 HydrophobicContact CG1-CG2 4.43Å; F760-I803 HydrophobicContact CB-CG2 3.93Å; F760-I803 HydrophobicContact CD1-CD1 4Å; F760-I803 HydrophobicContact CD1-CG2 4.28Å; F760-I803 HydrophobicContact CD2-CD1 3.56Å; F760-I803 HydrophobicContact CE1-CD1 3.91Å; F760-I803 HydrophobicContact CE2-CD1 3.43Å; F760-I803 VanDerWaalsContact CE2-CD1 3.43Å; F760-I803 HydrophobicContact CG-CD1 3.82Å; F760-I803 HydrophobicContact CG-CG2 4.09Å; F760-I803 HydrophobicContact CZ-CD1 3.6Å; I803-C807 HydrophobicContact CD1-CB 4.34Å; I803-W809 WeakPolarHBondContact CA-O 3.48Å; I803-W809 WeakPolarHBondContact CG1-O 3.45Å; I803-I810 HydrophobicContact CD1-CG1 4.2Å; I803-I810 HydrophobicContact CG1-CG1 4.2Å; I803-L824 HydrophobicContact CD1-CD2 4.39Å
804	D	86.4	Confident	89.6	Confident	13 Å²	13	45.4 Å²	45.4	7%	0.07	21%	0.206	C	C	.	.			trans	-69.6	158.2	174.9	73.5	-45.8	0	0	0	112.1	Q806 C807 R808 W809 I845	D804-Q806 PolarHBondContact O-N 2.82Å; D804-Q806 WeakPolarHBondContact OD2-CB 3.46Å; D804-Q806 PolarHBondContact OD2-N 2.8Å; D804-C807 PolarHBondContact O-N 2.94Å; D804-C807 VanDerWaalsContact OD1-C 3.28Å; D804-C807 VanDerWaalsContact OD1-CA 3.26Å; D804-C807 WeakPolarHBondContact OD1-CA 3.26Å; D804-C807 PolarHBondContact OD1-N 2.85Å; D804-C807 PolarHBondContact OD2-N 2.88Å; D804-R808 VanDerWaalsContact CG-N 3.26Å; D804-R808 PolarHBondContact OD1-N 2.91Å; D804-R808 WeakPolarHBondContact OD2-CB 3.44Å; D804-R808 PolarHBondContact OD2-N 2.77Å; D804-R808 VanDerWaalsContact OD2-N 3.09Å; D804-W809 PolarHBondContact N-O 2.83Å; D804-W809 VanDerWaalsContact N-O 3.13Å; D804-W809 PolarHBondContact OD1-N 2.87Å; D804-I845 HydrophobicContact CB-CD1 4.39Å; D804-I845 HydrophobicContact CB-CG2 3.81Å
805	H	78.2	Confident	89.5	Confident	144 Å²	144	47.6 Å²	47.6	67%	0.667	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-31.5	-179.5	-176.6	60.4	0	0	0	112.9	C807	H805-C807 PolarHBondContact O-N 3.25Å
806	Q	78.4	Confident	89.6	Confident	149 Å²	149	39.8 Å²	39.8	70%	0.696	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	0.2	178.1	-59.9	-176.2	-3.3	0	0	113.4	D804 R808	D804-Q806 PolarHBondContact O-N 2.82Å; D804-Q806 WeakPolarHBondContact OD2-CB 3.46Å; D804-Q806 PolarHBondContact OD2-N 2.8Å; Q806-R808 PolarHBondContact O-N 2.79Å
807	C	83	Confident	89.7	Confident	36 Å²	36	37.4 Å²	37.4	24%	0.243	18%	0.179	C	C	.	.	S	Bend	trans	56.5	34.5	-178.1	-54.6	0	0	0	0	113.5	F760 I803 D804 H805 L824	F760-C807 HydrophobicContact CD2-CB 4.35Å; F760-C807 HydrophobicContact CE2-CB 4.46Å; I803-C807 HydrophobicContact CD1-CB 4.34Å; D804-C807 PolarHBondContact O-N 2.94Å; D804-C807 VanDerWaalsContact OD1-C 3.28Å; D804-C807 VanDerWaalsContact OD1-CA 3.26Å; D804-C807 WeakPolarHBondContact OD1-CA 3.26Å; D804-C807 PolarHBondContact OD1-N 2.85Å; D804-C807 PolarHBondContact OD2-N 2.88Å; H805-C807 PolarHBondContact O-N 3.25Å; C807-L824 HydrophobicContact CB-CD2 4.4Å; C807-L824 WeakPolarHBondContact O-CD2 3.23Å
808	R	85.2	Confident	89.7	Confident	119 Å²	119	35 Å²	35	45%	0.449	17%	0.169	S	C	.	.			trans	-94.4	-37.2	177.5	-164.2	-177.2	179.6	174.5	1.1	113	D804 Q806 E823 L824	D804-R808 VanDerWaalsContact CG-N 3.26Å; D804-R808 PolarHBondContact OD1-N 2.91Å; D804-R808 WeakPolarHBondContact OD2-CB 3.44Å; D804-R808 PolarHBondContact OD2-N 2.77Å; D804-R808 VanDerWaalsContact OD2-N 3.09Å; Q806-R808 PolarHBondContact O-N 2.79Å; R808-E823 IonicContact NE-OE1 3.21Å; R808-E823 IonicContact NH2-OE1 3.23Å; R808-E823 WeakPolarHBondContact O-CA 3.29Å; R808-L824 PolarHBondContact O-N 2.91Å
809	W	88.4	Confident	89.8	Confident	16 Å²	16	35 Å²	35	6%	0.061	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.3	-168.3	-61.7	-29	0	0	0	113	I803 D804 W822 L830 I845 N853 L869	I803-W809 WeakPolarHBondContact CA-O 3.48Å; I803-W809 WeakPolarHBondContact CG1-O 3.45Å; D804-W809 PolarHBondContact N-O 2.83Å; D804-W809 VanDerWaalsContact N-O 3.13Å; D804-W809 PolarHBondContact OD1-N 2.87Å; W809-W822 CarbonylContact C-O 3.54Å; W809-W822 VanDerWaalsContact CA-O 3.27Å; W809-W822 WeakPolarHBondContact CA-O 3.45Å; W809-L830 HydrophobicContact CG-CD1 4.37Å; W809-I845 HydrophobicContact CB-CD1 4.38Å; W809-I845 WeakPolarHBondContact O-CD1 3.46Å; W809-N853 WeakPolarHBondContact CH2-OD1 3.19Å; W809-N853 VanDerWaalsContact CZ3-OD1 3.29Å; W809-N853 WeakPolarHBondContact CZ3-OD1 3.31Å; W809-L869 HydrophobicContact CD2-CB 4.4Å; W809-L869 HydrophobicContact CE3-CB 3.68Å; W809-L869 HydrophobicContact CE3-CD1 3.5Å; W809-L869 VanDerWaalsContact CE3-CD1 3.5Å; W809-L869 HydrophobicContact CE3-CD2 4.42Å; W809-L869 HydrophobicContact CE3-CG 4.04Å; W809-L869 HydrophobicContact CH2-CB 3.69Å; W809-L869 HydrophobicContact CZ2-CB 4.49Å; W809-L869 HydrophobicContact CZ3-CB 3.28Å; W809-L869 HydrophobicContact CZ3-CD1 3.63Å; W809-L869 HydrophobicContact CZ3-CG 4.02Å
810	I	91.6	Very high	89.8	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.7	173.2	-62.8	164.3	0	0	0	109	L769 L777 V779 I803 V821 W822 L824	L769-I810 HydrophobicContact CD1-CD1 4.04Å; L769-I810 HydrophobicContact CD1-CG2 4.16Å; L769-I810 HydrophobicContact CD2-CG2 3.88Å; L777-I810 HydrophobicContact CD1-CG2 4Å; V779-I810 HydrophobicContact CG2-CD1 3.95Å; I803-I810 HydrophobicContact CD1-CG1 4.2Å; I803-I810 HydrophobicContact CG1-CG1 4.2Å; I810-V821 CarbonylContact O-C 3.55Å; I810-V821 VanDerWaalsContact O-CA 3.29Å; I810-V821 WeakPolarHBondContact O-CA 3.27Å; I810-W822 HydrophobicContact CB-CB 4.4Å; I810-W822 PolarHBondContact N-O 3.33Å; I810-W822 PolarHBondContact O-N 3.06Å; I810-L824 HydrophobicContact CD1-CD1 3.49Å; I810-L824 VanDerWaalsContact CD1-CD1 3.49Å; I810-L824 HydrophobicContact CG1-CD1 4.37Å
811	A	93	Very high	89.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	140.3	168.3	0	0	0	0	0	110.6	C801 D802 K820 V821 I845 L855	C801-A811 VanDerWaalsContact CA-O 3.22Å; C801-A811 WeakPolarHBondContact CA-O 3.39Å; C801-A811 WeakPolarHBondContact CB-O 3.06Å; D802-A811 PolarHBondContact N-O 3.35Å; D802-A811 PolarHBondContact O-N 3.17Å; A811-K820 WeakPolarHBondContact CA-O 3.23Å; A811-V821 HydrophobicContact CB-CG2 4.37Å; A811-I845 HydrophobicContact CB-CD1 3.92Å; A811-I845 HydrophobicContact CB-CG1 4.06Å; A811-L855 HydrophobicContact CB-CD1 3.66Å
812	S	94.5	Very high	89.9	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	131.4	175.4	56.1	0	0	0	0	112	H794 V819 K820	H794-S812 PolarHBondContact CD2-OG 3.07Å; H794-S812 PolarHBondContact NE2-O 3.09Å; H794-S812 PolarHBondContact NE2-OG 3.22Å; S812-V819 CarbonylContact O-C 3.59Å; S812-V819 VanDerWaalsContact O-CA 3.23Å; S812-V819 WeakPolarHBondContact O-CA 3.34Å; S812-V819 WeakPolarHBondContact O-CG1 3.04Å; S812-K820 PolarHBondContact N-O 2.87Å; S812-K820 PolarHBondContact O-N 2.71Å; S812-K820 PolarHBondContact OG-O 3.41Å
813	A	93.8	Very high	89.8	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	138.7	174.9	0	0	0	0	0	110.6	I798 I799 D800 V819 P840 C843	I798-A813 CarbonylContact C-O 3.59Å; I798-A813 WeakPolarHBondContact CA-O 3.32Å; I799-A813 PolarHBondContact N-O 2.99Å; D800-A813 HydrophobicContact CB-CB 4.34Å; D800-A813 PolarHBondContact N-O 2.54Å; D800-A813 PolarHBondContact O-N 3.26Å; A813-V819 HydrophobicContact CB-CG2 4.02Å; A813-P840 HydrophobicContact CB-CB 4.05Å; A813-P840 HydrophobicContact CB-CG 4.2Å; A813-C843 HydrophobicContact CB-CB 4.21Å
814	S	94	Very high	89.6	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	155.1	-169.2	172	0	0	0	0	113.9	H794 K796 K797 D816 L817 T818	H794-S814 WeakPolarHBondContact CB-OG 3.42Å; H794-S814 WeakPolarHBondContact ND1-CB 3.27Å; K796-S814 PolarHBondContact O-OG 2.91Å; K797-S814 WeakPolarHBondContact O-CA 3.43Å; K797-S814 PolarHBondContact O-OG 3.49Å; S814-D816 VanDerWaalsContact CB-OD1 3.26Å; S814-D816 WeakPolarHBondContact CB-OD1 3.42Å; S814-D816 PolarHBondContact O-N 2.83Å; S814-D816 VanDerWaalsContact O-N 3.08Å; S814-D816 PolarHBondContact OG-N 3.01Å; S814-D816 PolarHBondContact OG-OD1 3.04Å; S814-D816 PolarHBondContact OG-OD2 3.36Å; S814-L817 PolarHBondContact O-N 2.9Å; S814-T818 PolarHBondContact N-O 2.86Å; S814-T818 VanDerWaalsContact N-O 3.15Å
815	D	91.3	Very high	89.6	Confident	60 Å²	60	43.6 Å²	43.6	32%	0.321	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-7.9	171.7	-81.2	-30.2	0	0	0	113.3	K796 K797 I799 L817	K796-D815 HydrophobicContact CB-CB 3.94Å; K796-D815 HydrophobicContact CD-CB 4.02Å; K796-D815 WeakPolarHBondContact CD-O 3.21Å; K796-D815 PolarHBondContact NZ-O 3.45Å; K797-D815 PolarHBondContact O-N 3.14Å; I799-D815 VanDerWaalsContact CD1-OD1 3.23Å; I799-D815 WeakPolarHBondContact CD1-OD1 3.19Å; D815-L817 PolarHBondContact O-N 3.01Å
816	D	90.8	Very high	89.9	Confident	29 Å²	29	43.1 Å²	43.1	16%	0.155	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	8.6	172.2	68.8	12.7	0	0	0	114	H794 K795 K796 S814 T818	H794-D816 WeakPolarHBondContact CA-OD2 3.12Å; H794-D816 WeakPolarHBondContact CB-OD2 3.36Å; H794-D816 IonicContact CE1-OD1 3.77Å; H794-D816 IonicContact CG-OD2 2.81Å; H794-D816 IonicContact ND1-OD1 3.61Å; H794-D816 PolarHBondContact ND1-OD1 3.43Å; H794-D816 IonicContact ND1-OD2 2.71Å; H794-D816 PolarHBondContact ND1-OD2 2.76Å; H794-D816 VanDerWaalsContact ND1-OD2 3.08Å; K795-D816 PolarHBondContact N-OD2 2.83Å; K796-D816 HydrophobicContact CB-CB 4.08Å; K796-D816 HydrophobicContact CD-CB 4.31Å; K796-D816 HydrophobicContact CG-CB 4.17Å; S814-D816 VanDerWaalsContact CB-OD1 3.26Å; S814-D816 WeakPolarHBondContact CB-OD1 3.42Å; S814-D816 PolarHBondContact O-N 2.83Å; S814-D816 VanDerWaalsContact O-N 3.08Å; S814-D816 PolarHBondContact OG-N 3.01Å; S814-D816 PolarHBondContact OG-OD1 3.04Å; S814-D816 PolarHBondContact OG-OD2 3.36Å; D816-T818 VanDerWaalsContact C-N 3.27Å; D816-T818 WeakPolarHBondContact OD1-CB 3.21Å; D816-T818 PolarHBondContact OD1-N 2.9Å; D816-T818 VanDerWaalsContact OD1-N 3.14Å; D816-T818 PolarHBondContact OD1-OG1 2.85Å
817	L	92.6	Very high	90.2	Very high	67 Å²	67	37.6 Å²	37.6	35%	0.351	19%	0.185	S	C	.	.	S	Bend	trans	73.1	12.5	179.7	-45.1	177.1	0	0	0	114.1	S814 D815 V839	S814-L817 PolarHBondContact O-N 2.9Å; D815-L817 PolarHBondContact O-N 3.01Å; L817-V839 HydrophobicContact CD2-CB 4.3Å; L817-V839 HydrophobicContact CD2-CG2 3.61Å
818	T	93.3	Very high	90.5	Very high	13 Å²	13	41.7 Å²	41.7	8%	0.08	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	150.5	-176	74.7	0	0	0	0	112.3	H794 S814 D816 E832 Y833	H794-T818 PolarHBondContact CE1-OG1 2.97Å; H794-T818 PolarHBondContact ND1-OG1 2.96Å; S814-T818 PolarHBondContact N-O 2.86Å; S814-T818 VanDerWaalsContact N-O 3.15Å; D816-T818 VanDerWaalsContact C-N 3.27Å; D816-T818 WeakPolarHBondContact OD1-CB 3.21Å; D816-T818 PolarHBondContact OD1-N 2.9Å; D816-T818 VanDerWaalsContact OD1-N 3.14Å; D816-T818 PolarHBondContact OD1-OG1 2.85Å; T818-E832 HydrophobicContact CG2-CG 4.49Å; T818-E832 WeakPolarHBondContact CG2-OE1 3.2Å; T818-Y833 CarbonylContact C-O 3.58Å; T818-Y833 WeakPolarHBondContact CA-O 3.43Å
819	V	93.3	Very high	90.8	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128.7	165.8	-179.5	0	0	0	0	107.9	S812 A813 Y833 P840 L855 V857	S812-V819 CarbonylContact O-C 3.59Å; S812-V819 VanDerWaalsContact O-CA 3.23Å; S812-V819 WeakPolarHBondContact O-CA 3.34Å; S812-V819 WeakPolarHBondContact O-CG1 3.04Å; A813-V819 HydrophobicContact CB-CG2 4.02Å; V819-Y833 HydrophobicContact CB-CD1 4.31Å; V819-Y833 HydrophobicContact CG2-CD1 4.38Å; V819-Y833 PolarHBondContact N-O 3.48Å; V819-Y833 PolarHBondContact O-N 2.79Å; V819-P840 HydrophobicContact CG2-CB 3.63Å; V819-P840 HydrophobicContact CG2-CG 3.88Å; V819-L855 HydrophobicContact CG1-CD2 4.09Å; V819-V857 HydrophobicContact CB-CG2 4.45Å; V819-V857 HydrophobicContact CG1-CG2 4.07Å; V819-V857 HydrophobicContact CG2-CG1 3.73Å; V819-V857 HydrophobicContact CG2-CG2 4.13Å
820	K	93.5	Very high	90.8	Very high	25 Å²	25	41.9 Å²	41.9	11%	0.109	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	142.7	179.5	-68.4	-179.5	-176.4	-174.8	0	110.7	A793 A811 S812 W822 M829 E832	A793-K820 WeakPolarHBondContact O-CD 3.13Å; A793-K820 WeakPolarHBondContact O-CE 3.43Å; A793-K820 PolarHBondContact O-NZ 3.42Å; A811-K820 WeakPolarHBondContact CA-O 3.23Å; S812-K820 PolarHBondContact N-O 2.87Å; S812-K820 PolarHBondContact O-N 2.71Å; S812-K820 PolarHBondContact OG-O 3.41Å; K820-W822 HydrophobicContact CB-CZ2 4.16Å; K820-W822 HydrophobicContact CD-CZ2 3.84Å; K820-M829 HydrophobicContact CD-CE 4.18Å; K820-M829 HydrophobicContact CD-SD 4.2Å; K820-M829 HydrophobicContact CG-SD 4.47Å; K820-E832 VanDerWaalsContact CE-CD 3.49Å; K820-E832 WeakPolarHBondContact CE-OE1 3.38Å; K820-E832 HydrophobicContact CG-CB 4.25Å; K820-E832 HydrophobicContact CG-CG 4.09Å; K820-E832 IonicContact NZ-OE1 2.75Å
821	V	93.3	Very high	90.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.8	176	-177.9	0	0	0	0	109.2	I810 A811 L830 F831 L855 L869	I810-V821 CarbonylContact O-C 3.55Å; I810-V821 VanDerWaalsContact O-CA 3.29Å; I810-V821 WeakPolarHBondContact O-CA 3.27Å; A811-V821 HydrophobicContact CB-CG2 4.37Å; V821-L830 HydrophobicContact CG1-CD1 4.08Å; V821-L830 PolarHBondContact O-N 2.79Å; V821-F831 HydrophobicContact CB-CD1 4.24Å; V821-F831 HydrophobicContact CB-CE1 3.79Å; V821-F831 HydrophobicContact CB-CE2 4.42Å; V821-F831 HydrophobicContact CB-CZ 3.91Å; V821-F831 HydrophobicContact CG1-CE1 4.17Å; V821-F831 HydrophobicContact CG2-CE1 3.82Å; V821-F831 HydrophobicContact CG2-CE2 3.81Å; V821-F831 HydrophobicContact CG2-CZ 3.39Å; V821-F831 PolarHBondContact N-O 3.25Å; V821-F831 VanDerWaalsContact N-O 3.17Å; V821-L855 HydrophobicContact CG2-CD2 3.71Å; V821-L869 HydrophobicContact CB-CD2 4.33Å; V821-L869 HydrophobicContact CG1-CD2 3.54Å; V821-L869 HydrophobicContact CG2-CD2 3.89Å
822	W	91.7	Very high	90.7	Very high	19 Å²	19	47.8 Å²	47.8	7%	0.072	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	141.5	-174.1	-52.3	83.7	0	0	0	110.2	L791 A793 W809 I810 K820 K828 M829	L791-W822 HydrophobicContact CD1-CB 4.07Å; L791-W822 HydrophobicContact CD1-CD2 3.72Å; L791-W822 HydrophobicContact CD1-CE3 3.86Å; L791-W822 HydrophobicContact CD1-CG 3.8Å; L791-W822 HydrophobicContact CD2-CE3 3.98Å; L791-W822 HydrophobicContact CD2-CZ3 4.08Å; L791-W822 HydrophobicContact CG-CE3 4.42Å; A793-W822 VanDerWaalsContact CA-CZ2 3.5Å; A793-W822 HydrophobicContact CB-CH2 4.46Å; A793-W822 HydrophobicContact CB-CZ2 3.57Å; W809-W822 CarbonylContact C-O 3.54Å; W809-W822 VanDerWaalsContact CA-O 3.27Å; W809-W822 WeakPolarHBondContact CA-O 3.45Å; I810-W822 HydrophobicContact CB-CB 4.4Å; I810-W822 PolarHBondContact N-O 3.33Å; I810-W822 PolarHBondContact O-N 3.06Å; K820-W822 HydrophobicContact CB-CZ2 4.16Å; K820-W822 HydrophobicContact CD-CZ2 3.84Å; W822-K828 CarbonylContact C-O 3.58Å; W822-K828 WeakPolarHBondContact CA-O 3.41Å; W822-M829 HydrophobicContact CD2-CB 4.28Å; W822-M829 HydrophobicContact CD2-CG 4.36Å; W822-M829 HydrophobicContact CE3-CB 3.72Å; W822-M829 HydrophobicContact CE3-CG 4.27Å; W822-M829 HydrophobicContact CH2-CB 4.06Å; W822-M829 HydrophobicContact CH2-CE 3.46Å; W822-M829 VanDerWaalsContact CH2-CE 3.46Å; W822-M829 HydrophobicContact CH2-CG 4.2Å; W822-M829 HydrophobicContact CZ2-CE 3.93Å; W822-M829 HydrophobicContact CZ2-CG 4.25Å; W822-M829 HydrophobicContact CZ3-CB 3.62Å; W822-M829 HydrophobicContact CZ3-CE 4.06Å; W822-M829 HydrophobicContact CZ3-CG 4.21Å
823	E	90	Very high	90.4	Very high	31 Å²	31	49 Å²	49	15%	0.145	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	126.3	165	-174.7	162.4	-138.8	0	0	109.5	R808 A827 K828 L830	R808-E823 IonicContact NE-OE1 3.21Å; R808-E823 IonicContact NH2-OE1 3.23Å; R808-E823 WeakPolarHBondContact O-CA 3.29Å; E823-A827 VanDerWaalsContact O-CA 3.24Å; E823-A827 WeakPolarHBondContact O-CA 3.46Å; E823-A827 PolarHBondContact O-N 2.97Å; E823-K828 PolarHBondContact N-O 2.89Å; E823-K828 PolarHBondContact O-N 3.24Å; E823-L830 HydrophobicContact CB-CD1 4.48Å; E823-L830 HydrophobicContact CB-CD2 4.25Å; E823-L830 HydrophobicContact CB-CG 4.31Å
824	L	86.2	Confident	90.1	Very high	34 Å²	34	57.1 Å²	57.1	18%	0.178	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-41.9	-172	-178.8	68.8	0	0	0	112.2	F760 V779 L789 I803 C807 R808 I810	F760-L824 HydrophobicContact CE2-CD2 4.2Å; F760-L824 HydrophobicContact CZ-CD2 4.49Å; V779-L824 HydrophobicContact CG1-CD1 4.46Å; V779-L824 HydrophobicContact CG2-CD1 3.94Å; L789-L824 HydrophobicContact CD2-CD1 4.4Å; I803-L824 HydrophobicContact CD1-CD2 4.39Å; C807-L824 HydrophobicContact CB-CD2 4.4Å; C807-L824 WeakPolarHBondContact O-CD2 3.23Å; R808-L824 PolarHBondContact O-N 2.91Å; I810-L824 HydrophobicContact CD1-CD1 3.49Å; I810-L824 VanDerWaalsContact CD1-CD1 3.49Å; I810-L824 HydrophobicContact CG1-CD1 4.37Å
825	E	84.8	Confident	89.5	Confident	171 Å²	171	59.7 Å²	59.7	80%	0.799	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-46.8	-173.8	-64.4	-169	159.6	0	0	112.5
826	E	84.7	Confident	88.7	Confident	135 Å²	135	61.7 Å²	61.7	63%	0.631	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-4.4	-179	-64	-165.4	167.2	0	0	113.7	K828	E826-K828 HydrophobicContact CB-CB 4.12Å; E826-K828 PolarHBondContact O-N 3.46Å
827	A	86.3	Confident	88.2	Confident	33 Å²	33	63.4 Å²	63.4	27%	0.273	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	29.7	-172.6	0	0	0	0	0	113.6	L789 L791 E823	L789-A827 HydrophobicContact CD1-CB 3.41Å; L789-A827 VanDerWaalsContact CD1-CB 3.41Å; L789-A827 HydrophobicContact CD2-CB 3.93Å; L789-A827 HydrophobicContact CG-CB 4.32Å; L791-A827 HydrophobicContact CD2-CB 3.97Å; E823-A827 VanDerWaalsContact O-CA 3.24Å; E823-A827 WeakPolarHBondContact O-CA 3.46Å; E823-A827 PolarHBondContact O-N 2.97Å
828	K	89.4	Confident	88	Confident	122 Å²	122	60.7 Å²	60.7	53%	0.53	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.1	-173	-172.8	179.9	176.9	-174.8	0	110.8	W822 E823 E826 L830	W822-K828 CarbonylContact C-O 3.58Å; W822-K828 WeakPolarHBondContact CA-O 3.41Å; E823-K828 PolarHBondContact N-O 2.89Å; E823-K828 PolarHBondContact O-N 3.24Å; E826-K828 HydrophobicContact CB-CB 4.12Å; E826-K828 PolarHBondContact O-N 3.46Å; K828-L830 PolarHBondContact O-N 2.78Å
829	M	90.5	Very high	87.8	Confident	72 Å²	72	61.6 Å²	61.6	36%	0.355	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	122	170.6	-164.9	-167.3	-50.4	0	0	109.1	K820 W822 E832	K820-M829 HydrophobicContact CD-CE 4.18Å; K820-M829 HydrophobicContact CD-SD 4.2Å; K820-M829 HydrophobicContact CG-SD 4.47Å; W822-M829 HydrophobicContact CD2-CB 4.28Å; W822-M829 HydrophobicContact CD2-CG 4.36Å; W822-M829 HydrophobicContact CE3-CB 3.72Å; W822-M829 HydrophobicContact CE3-CG 4.27Å; W822-M829 HydrophobicContact CH2-CB 4.06Å; W822-M829 HydrophobicContact CH2-CE 3.46Å; W822-M829 VanDerWaalsContact CH2-CE 3.46Å; W822-M829 HydrophobicContact CH2-CG 4.2Å; W822-M829 HydrophobicContact CZ2-CE 3.93Å; W822-M829 HydrophobicContact CZ2-CG 4.25Å; W822-M829 HydrophobicContact CZ3-CB 3.62Å; W822-M829 HydrophobicContact CZ3-CE 4.06Å; W822-M829 HydrophobicContact CZ3-CG 4.21Å; M829-E832 HydrophobicContact SD-CB 4.29Å
830	L	89	Confident	87.8	Confident	66 Å²	66	61.9 Å²	61.9	35%	0.346	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-51.4	176.8	-67.1	177.9	0	0	0	110.5	W809 V821 E823 K828	W809-L830 HydrophobicContact CG-CD1 4.37Å; V821-L830 HydrophobicContact CG1-CD1 4.08Å; V821-L830 PolarHBondContact O-N 2.79Å; E823-L830 HydrophobicContact CB-CD1 4.48Å; E823-L830 HydrophobicContact CB-CD2 4.25Å; E823-L830 HydrophobicContact CB-CG 4.31Å; K828-L830 PolarHBondContact O-N 2.78Å
831	F	90.8	Very high	87.7	Confident	31 Å²	31	63.4 Å²	63.4	14%	0.136	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	164.3	175.9	63.5	-88.9	0	0	0	112	V821 L855 I867 L869	V821-F831 HydrophobicContact CB-CD1 4.24Å; V821-F831 HydrophobicContact CB-CE1 3.79Å; V821-F831 HydrophobicContact CB-CE2 4.42Å; V821-F831 HydrophobicContact CB-CZ 3.91Å; V821-F831 HydrophobicContact CG1-CE1 4.17Å; V821-F831 HydrophobicContact CG2-CE1 3.82Å; V821-F831 HydrophobicContact CG2-CE2 3.81Å; V821-F831 HydrophobicContact CG2-CZ 3.39Å; V821-F831 PolarHBondContact N-O 3.25Å; V821-F831 VanDerWaalsContact N-O 3.17Å; F831-L855 HydrophobicContact CZ-CD2 4.39Å; F831-I867 HydrophobicContact CE2-CG2 3.77Å; F831-I867 HydrophobicContact CZ-CG2 3.76Å; F831-L869 HydrophobicContact CE1-CD2 4.36Å; F831-L869 WeakPolarHBondContact CE1-O 3.49Å; F831-L869 HydrophobicContact CZ-CD2 4.3Å
832	E	91.6	Very high	87.6	Confident	94 Å²	94	63.6 Å²	63.6	44%	0.439	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.2	172.9	177.6	172.3	-151.3	0	0	108.7	T818 K820 M829	T818-E832 HydrophobicContact CG2-CG 4.49Å; T818-E832 WeakPolarHBondContact CG2-OE1 3.2Å; K820-E832 VanDerWaalsContact CE-CD 3.49Å; K820-E832 WeakPolarHBondContact CE-OE1 3.38Å; K820-E832 HydrophobicContact CG-CB 4.25Å; K820-E832 HydrophobicContact CG-CG 4.09Å; K820-E832 IonicContact NZ-OE1 2.75Å; M829-E832 HydrophobicContact SD-CB 4.29Å
833	Y	88.5	Confident	87.7	Confident	25 Å²	25	62.7 Å²	62.7	10%	0.098	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	131	175.2	174.3	-98.2	0	0	0	109.6	T818 V819 E835 C865 I867 I874	T818-Y833 CarbonylContact C-O 3.58Å; T818-Y833 WeakPolarHBondContact CA-O 3.43Å; V819-Y833 HydrophobicContact CB-CD1 4.31Å; V819-Y833 HydrophobicContact CG2-CD1 4.38Å; V819-Y833 PolarHBondContact N-O 3.48Å; V819-Y833 PolarHBondContact O-N 2.79Å; Y833-E835 PolarHBondContact OH-OE2 2.8Å; Y833-C865 PolarHBondContact OH-SG 2.92Å; Y833-I867 HydrophobicContact CD1-CD1 3.93Å; Y833-I867 HydrophobicContact CD2-CD1 3.52Å; Y833-I867 HydrophobicContact CD2-CG1 4.49Å; Y833-I867 HydrophobicContact CE1-CD1 4.31Å; Y833-I867 HydrophobicContact CE2-CD1 3.92Å; Y833-I867 HydrophobicContact CG-CD1 3.52Å; Y833-I874 HydrophobicContact CD2-CD1 4.5Å; Y833-I874 HydrophobicContact CD2-CG1 4.38Å; Y833-I874 HydrophobicContact CE2-CD1 3.68Å; Y833-I874 HydrophobicContact CE2-CG1 3.85Å
834	Y	87.6	Confident	87.7	Confident	171 Å²	171	64 Å²	64	67%	0.671	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.3	145.8	171.8	70.7	-87.9	0	0	0	110.1
835	E	80.3	Confident	87.9	Confident	54 Å²	54	62.8 Å²	62.8	25%	0.252	32%	0.318	S	S	.	.			trans	-128.9	135.7	172.7	-177.9	155.4	-160.1	0	0	109	Y833 A837 T838 K877	Y833-E835 PolarHBondContact OH-OE2 2.8Å; E835-A837 PolarHBondContact O-N 2.66Å; E835-T838 WeakPolarHBondContact CB-OG1 3.45Å; E835-T838 PolarHBondContact O-OG1 3.32Å; E835-K877 IonicContact OE1-NZ 3.85Å; E835-K877 PolarHBondContact OE1-NZ 2.81Å; E835-K877 IonicContact OE2-NZ 3.08Å; E835-K877 PolarHBondContact OE2-NZ 2.8Å
836	S	75.2	Confident	87.9	Confident	102 Å²	102	55 Å²	55	71%	0.713	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	122.9	-170.2	58	0	0	0	0	111.2
837	A	80.2	Confident	87.4	Confident	65 Å²	65	51.2 Å²	51.2	54%	0.537	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	33.2	173.5	0	0	0	0	0	115.6	E835 R861	E835-A837 PolarHBondContact O-N 2.66Å; A837-R861 PolarHBondContact O-NE 2.8Å; A837-R861 PolarHBondContact O-NH2 3.27Å
838	T	87.1	Confident	86.2	Confident	11 Å²	11	53.3 Å²	53.3	7%	0.067	28%	0.276	C	S	.	.			trans	-129.2	134.7	171	52.5	0	0	0	0	110.1	E835 D860 R861	E835-T838 WeakPolarHBondContact CB-OG1 3.45Å; E835-T838 PolarHBondContact O-OG1 3.32Å; T838-D860 WeakPolarHBondContact CA-OD1 3.41Å; T838-R861 HydrophobicContact CG2-CG 4Å
839	V	90.5	Very high	84.7	Confident	31 Å²	31	51.2 Å²	51.2	19%	0.188	27%	0.265	C	S	.	.			trans	-96.1	121	177.5	-173.8	0	0	0	0	109	I799 L817 Q841 D859 D860	I799-V839 HydrophobicContact CD1-CG1 3.79Å; L817-V839 HydrophobicContact CD2-CB 4.3Å; L817-V839 HydrophobicContact CD2-CG2 3.61Å; V839-Q841 PolarHBondContact O-N 3.17Å; V839-D859 WeakPolarHBondContact O-CA 3.35Å; V839-D860 HydrophobicContact CB-CB 4.36Å; V839-D860 VanDerWaalsContact N-CG 3.33Å; V839-D860 PolarHBondContact N-OD1 2.82Å; V839-D860 PolarHBondContact N-OD2 3.26Å; V839-D860 PolarHBondContact O-N 3.19Å
840	P	92.5	Very high	83	Confident	7 Å²	7	51.1 Å²	51.1	5%	0.045	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	125.6	174.6	29.8	-33.7	0	0	0	109.8	I799 A813 V819 V857 G858	I799-P840 WeakPolarHBondContact CD1-O 3.44Å; A813-P840 HydrophobicContact CB-CB 4.05Å; A813-P840 HydrophobicContact CB-CG 4.2Å; V819-P840 HydrophobicContact CG2-CB 3.63Å; V819-P840 HydrophobicContact CG2-CG 3.88Å; P840-V857 HydrophobicContact CB-CG1 3.96Å; P840-G858 CarbonylContact C-O 3.54Å
841	Q	91.3	Very high	81.3	Confident	58 Å²	58	54 Å²	54	27%	0.271	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-31.4	-176.3	-68.6	-59.9	-51.7	0	0	112.8	I799 V839 G858 D860 V885	I799-Q841 WeakPolarHBondContact CG2-O 3.49Å; V839-Q841 PolarHBondContact O-N 3.17Å; Q841-G858 PolarHBondContact N-O 3.05Å; Q841-D860 HydrophobicContact CG-CB 4.2Å; Q841-V885 WeakPolarHBondContact CB-O 3.39Å
842	C	91.5	Very high	79.8	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.027	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	152.7	179.3	55	0	0	0	0	111.4	D800 G858 V885	D800-C842 VanDerWaalsContact OD2-CA 3.25Å; D800-C842 WeakPolarHBondContact OD2-CA 3.42Å; D800-C842 WeakPolarHBondContact OD2-CB 3.43Å; C842-G858 PolarHBondContact N-O 2.8Å; C842-G858 PolarHBondContact O-N 2.8Å; C842-V885 PolarHBondContact SG-O 3.18Å
843	C	92.9	Very high	79.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	135.9	174.8	62.3	0	0	0	0	110.8	D800 A813 L855 A856	D800-C843 PolarHBondContact OD2-N 3.22Å; A813-C843 HydrophobicContact CB-CB 4.21Å; C843-L855 HydrophobicContact CB-CD1 4.28Å; C843-A856 WeakPolarHBondContact CA-O 3.44Å
844	K	91.5	Very high	79.1	Confident	57 Å²	57	49.3 Å²	49.3	25%	0.248	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	136.8	177.9	-73.9	-60.3	-173.4	173.3	0	112.4	D802 A856 L888 F890	D802-K844 HydrophobicContact CB-CD 4.31Å; D802-K844 VanDerWaalsContact CG-CD 3.49Å; D802-K844 IonicContact OD1-NZ 3.16Å; D802-K844 PolarHBondContact OD1-NZ 2.92Å; D802-K844 WeakPolarHBondContact OD2-CA 3.44Å; D802-K844 WeakPolarHBondContact OD2-CD 3.34Å; D802-K844 IonicContact OD2-NZ 3.13Å; K844-A856 PolarHBondContact N-O 2.82Å; K844-A856 PolarHBondContact O-N 2.57Å; K844-L888 HydrophobicContact CB-CB 4.19Å; K844-L888 HydrophobicContact CG-CB 3.9Å; K844-L888 WeakPolarHBondContact CG-O 3.32Å; K844-F890 HydrophobicContact CB-CD2 4.21Å; K844-F890 HydrophobicContact CB-CE2 4.12Å; K844-F890 WeakPolarHBondContact O-CE2 3.42Å
845	I	89.4	Confident	79.3	Confident	10 Å²	10	41.1 Å²	41.1	5%	0.051	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	136.3	172.5	-62.1	172.2	0	0	0	108.4	D802 D804 W809 A811 L855 L869	D802-I845 PolarHBondContact OD2-N 3.13Å; D804-I845 HydrophobicContact CB-CD1 4.39Å; D804-I845 HydrophobicContact CB-CG2 3.81Å; W809-I845 HydrophobicContact CB-CD1 4.38Å; W809-I845 WeakPolarHBondContact O-CD1 3.46Å; A811-I845 HydrophobicContact CB-CD1 3.92Å; A811-I845 HydrophobicContact CB-CG1 4.06Å; I845-L855 HydrophobicContact CG1-CD1 4.01Å; I845-L869 HydrophobicContact CG1-CD1 4.28Å; I845-L869 HydrophobicContact CG2-CD1 3.7Å
846	S	85.7	Confident	79.9	Confident	6 Å²	6	38.6 Å²	38.6	4%	0.042	23%	0.226	C	C	.	.			trans	-71.5	130.1	177.4	-175.4	0	0	0	0	110.6	Y849 L854	S846-Y849 WeakPolarHBondContact OG-CB 3.01Å; S846-Y849 PolarHBondContact OG-N 3.3Å; S846-L854 PolarHBondContact N-O 3.13Å
847	P	73.4	Confident	80.8	Confident	56 Å²	56	34 Å²	34	36%	0.364	19%	0.194	S	C	.	.	S	Bend	trans	-70	-41.7	177.4	26.3	-31.8	0	0	0	112.2
848	D	61.9	Low	81.4	Confident	77 Å²	77	30.9 Å²	30.9	41%	0.412	17%	0.168	S	C	.	.	S	Bend	trans	-129.8	12.4	-162	-61.2	-37.8	0	0	0	115.2
849	Y	58.1	Low	81.6	Confident	79 Å²	79	30.8 Å²	30.8	31%	0.31	17%	0.167	S	C	.	.	S	Bend	trans	-58.3	138.7	164.5	-161	-98.1	0	0	0	107.6	S846 D851 G852 L854 Y894 L908	S846-Y849 WeakPolarHBondContact OG-CB 3.01Å; S846-Y849 PolarHBondContact OG-N 3.3Å; Y849-D851 CarbonylContact O-C 3.54Å; Y849-D851 PolarHBondContact O-N 2.69Å; Y849-G852 PolarHBondContact O-N 2.85Å; Y849-L854 HydrophobicContact CD1-CB 4.32Å; Y849-L854 HydrophobicContact CD2-CD2 4.05Å; Y849-L854 HydrophobicContact CE2-CD2 4.34Å; Y849-L854 HydrophobicContact CG-CB 4.14Å; Y849-L854 HydrophobicContact CG-CD2 4.37Å; Y849-Y894 AromaticContact CD2-CD1 3.88Å; Y849-Y894 HydrophobicContact CD2-CD1 3.88Å; Y849-Y894 HydrophobicContact CD2-CE1 4.17Å; Y849-Y894 HydrophobicContact CE2-CD1 4.08Å; Y849-Y894 HydrophobicContact CE2-CE1 4.44Å; Y849-L908 HydrophobicContact CD2-CD1 3.82Å; Y849-L908 HydrophobicContact CE2-CD1 3.89Å
850	P	53.4	Low	81.6	Confident	70 Å²	70	31.9 Å²	31.9	46%	0.455	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	100.4	-172.8	20.1	-32.9	0	0	0	108.8	Y894	P850-Y894 HydrophobicContact CG-CE1 4.23Å
851	D	53.8	Low	81.3	Confident	125 Å²	125	38.4 Å²	38.4	67%	0.668	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	101.5	4.4	-175	-50.1	-24.5	0	0	0	118.5	Y849 N853	Y849-D851 CarbonylContact O-C 3.54Å; Y849-D851 PolarHBondContact O-N 2.69Å; D851-N853 HydrophobicContact CB-CB 4.36Å; D851-N853 VanDerWaalsContact CB-ND2 3.29Å; D851-N853 WeakPolarHBondContact CB-ND2 3.32Å; D851-N853 PolarHBondContact O-N 2.75Å; D851-N853 PolarHBondContact O-OD1 2.92Å
852	G	60.8	Low	81	Confident	15 Å²	15	35.7 Å²	35.7	16%	0.155	18%	0.183	C	C	.	.	S	Bend	trans	66.5	15	-177.2	0	0	0	0	0	113.4	Y849 L854 L869	Y849-G852 PolarHBondContact O-N 2.85Å; G852-L854 VanDerWaalsContact C-N 3.3Å; G852-L854 PolarHBondContact O-N 2.78Å; G852-L854 VanDerWaalsContact O-N 3.16Å; G852-L869 VanDerWaalsContact O-CD1 3.29Å; G852-L869 WeakPolarHBondContact O-CD1 3.4Å
853	N	77.4	Confident	81	Confident	35 Å²	35	36.3 Å²	36.3	19%	0.187	19%	0.187	C	C	.	.			trans	-83	18.1	-164.6	-75	-8.7	0	0	0	115.9	W809 D851 S868 L869	W809-N853 WeakPolarHBondContact CH2-OD1 3.19Å; W809-N853 VanDerWaalsContact CZ3-OD1 3.29Å; W809-N853 WeakPolarHBondContact CZ3-OD1 3.31Å; D851-N853 HydrophobicContact CB-CB 4.36Å; D851-N853 VanDerWaalsContact CB-ND2 3.29Å; D851-N853 WeakPolarHBondContact CB-ND2 3.32Å; D851-N853 PolarHBondContact O-N 2.75Å; D851-N853 PolarHBondContact O-OD1 2.92Å; N853-S868 CarbonylContact O-C 3.35Å; N853-S868 WeakPolarHBondContact O-CA 3.46Å; N853-L869 PolarHBondContact O-N 2.98Å
854	L	87.8	Confident	80.9	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.4	-172.8	-168.9	69	0	0	0	112.6	S846 Y849 G852 L866 L875 F890 L908	S846-L854 PolarHBondContact N-O 3.13Å; Y849-L854 HydrophobicContact CD1-CB 4.32Å; Y849-L854 HydrophobicContact CD2-CD2 4.05Å; Y849-L854 HydrophobicContact CE2-CD2 4.34Å; Y849-L854 HydrophobicContact CG-CB 4.14Å; Y849-L854 HydrophobicContact CG-CD2 4.37Å; G852-L854 VanDerWaalsContact C-N 3.3Å; G852-L854 PolarHBondContact O-N 2.78Å; G852-L854 VanDerWaalsContact O-N 3.16Å; L854-L866 HydrophobicContact CD1-CB 4.2Å; L854-L866 HydrophobicContact CD2-CD2 4.28Å; L854-L866 HydrophobicContact CG-CD2 4.46Å; L854-L875 HydrophobicContact CD1-CD1 3.6Å; L854-F890 HydrophobicContact CD2-CE1 3.83Å; L854-F890 HydrophobicContact CD2-CZ 4.08Å; L854-F890 HydrophobicContact CG-CZ 4.32Å; L854-L908 HydrophobicContact CD2-CD1 3.79Å; L854-L908 HydrophobicContact CD2-CD2 4.07Å
855	L	91	Very high	81	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.4	170.5	176.4	68.7	0	0	0	109.4	A811 V819 V821 F831 C843 I845 V857 L866 I867 L869	A811-L855 HydrophobicContact CB-CD1 3.66Å; V819-L855 HydrophobicContact CG1-CD2 4.09Å; V821-L855 HydrophobicContact CG2-CD2 3.71Å; F831-L855 HydrophobicContact CZ-CD2 4.39Å; C843-L855 HydrophobicContact CB-CD1 4.28Å; I845-L855 HydrophobicContact CG1-CD1 4.01Å; L855-V857 HydrophobicContact CD2-CG2 3.95Å; L855-V857 HydrophobicContact CG-CG2 3.94Å; L855-L866 CarbonylContact O-C 3.53Å; L855-L866 WeakPolarHBondContact O-CA 3.46Å; L855-I867 HydrophobicContact CB-CB 4.34Å; L855-I867 HydrophobicContact CD2-CD1 4.42Å; L855-I867 PolarHBondContact N-O 3.1Å; L855-I867 PolarHBondContact O-N 2.99Å; L855-L869 HydrophobicContact CB-CD1 4.41Å; L855-L869 HydrophobicContact CB-CD2 3.87Å; L855-L869 HydrophobicContact CB-CG 3.99Å; L855-L869 HydrophobicContact CD2-CD2 4.47Å
856	A	92.6	Very high	81.1	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	132.1	166.7	0	0	0	0	0	109.9	C843 K844 V864 C865 L866 L888 F890 L896	C843-A856 WeakPolarHBondContact CA-O 3.44Å; K844-A856 PolarHBondContact N-O 2.82Å; K844-A856 PolarHBondContact O-N 2.57Å; A856-V864 HydrophobicContact CB-CG1 4.45Å; A856-C865 WeakPolarHBondContact CA-O 3.49Å; A856-L866 HydrophobicContact CB-CD2 3.83Å; A856-L888 HydrophobicContact CB-CD1 3.84Å; A856-F890 HydrophobicContact CB-CE2 3.81Å; A856-F890 HydrophobicContact CB-CZ 3.56Å; A856-L896 HydrophobicContact CB-CD1 4.12Å; A856-L896 HydrophobicContact CB-CD2 3.86Å
857	V	93.4	Very high	81.3	Confident	5 Å²	5	33.1 Å²	33.1	3%	0.03	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.2	176.3	179.6	0	0	0	0	108.7	V819 P840 L855 V864 C865 I867	V819-V857 HydrophobicContact CB-CG2 4.45Å; V819-V857 HydrophobicContact CG1-CG2 4.07Å; V819-V857 HydrophobicContact CG2-CG1 3.73Å; V819-V857 HydrophobicContact CG2-CG2 4.13Å; P840-V857 HydrophobicContact CB-CG1 3.96Å; L855-V857 HydrophobicContact CD2-CG2 3.95Å; L855-V857 HydrophobicContact CG-CG2 3.94Å; V857-V864 CarbonylContact O-C 3.6Å; V857-V864 VanDerWaalsContact O-CA 3.29Å; V857-V864 WeakPolarHBondContact O-CA 3.45Å; V857-C865 PolarHBondContact N-O 3.29Å; V857-C865 PolarHBondContact O-N 3.17Å; V857-I867 HydrophobicContact CG2-CD1 4.12Å
858	G	93	Very high	82	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	137.1	174.1	0	0	0	0	0	110.7	P840 Q841 C842	P840-G858 CarbonylContact C-O 3.54Å; Q841-G858 PolarHBondContact N-O 3.05Å; C842-G858 PolarHBondContact N-O 2.8Å; C842-G858 PolarHBondContact O-N 2.8Å
859	D	92.1	Very high	83.1	Confident	10 Å²	10	27.6 Å²	27.6	5%	0.053	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	178	-179.3	77.6	6.7	0	0	0	114	V839 R861 G862 V863 V885	V839-D859 WeakPolarHBondContact O-CA 3.35Å; D859-R861 VanDerWaalsContact C-N 3.27Å; D859-R861 PolarHBondContact O-N 2.98Å; D859-R861 WeakPolarHBondContact OD1-CA 3.32Å; D859-R861 PolarHBondContact OD1-N 2.91Å; D859-G862 PolarHBondContact OD1-N 3.26Å; D859-V863 PolarHBondContact N-O 2.74Å; D859-V863 PolarHBondContact OD1-N 3.48Å; D859-V863 WeakPolarHBondContact OD2-CB 3Å; D859-V885 PolarHBondContact O-N 3.23Å
860	D	89.6	Confident	84.2	Confident	53 Å²	53	27.8 Å²	27.8	28%	0.283	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-8.6	176.8	64.5	-19.7	0	0	0	114.5	T838 V839 Q841 P884	T838-D860 WeakPolarHBondContact CA-OD1 3.41Å; V839-D860 HydrophobicContact CB-CB 4.36Å; V839-D860 VanDerWaalsContact N-CG 3.33Å; V839-D860 PolarHBondContact N-OD1 2.82Å; V839-D860 PolarHBondContact N-OD2 3.26Å; V839-D860 PolarHBondContact O-N 3.19Å; Q841-D860 HydrophobicContact CG-CB 4.2Å; D860-P884 WeakPolarHBondContact O-CG 3.25Å
861	R	86.4	Confident	85.5	Confident	145 Å²	145	28 Å²	28	55%	0.547	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-5.5	176.7	-62.6	-168.4	-174.8	-169.8	4.7	113.5	A837 T838 D859	A837-R861 PolarHBondContact O-NE 2.8Å; A837-R861 PolarHBondContact O-NH2 3.27Å; T838-R861 HydrophobicContact CG2-CG 4Å; D859-R861 VanDerWaalsContact C-N 3.27Å; D859-R861 PolarHBondContact O-N 2.98Å; D859-R861 WeakPolarHBondContact OD1-CA 3.32Å; D859-R861 PolarHBondContact OD1-N 2.91Å
862	G	86.5	Confident	86.9	Confident	0 Å²	0	23 Å²	23	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	91.6	11.1	-178.6	0	0	0	0	0	114.3	D859 A880 H881 T883	D859-G862 PolarHBondContact OD1-N 3.26Å; G862-A880 PolarHBondContact O-N 2.92Å; G862-A880 VanDerWaalsContact O-N 3.16Å; G862-H881 WeakPolarHBondContact CA-O 3.4Å; G862-H881 PolarHBondContact O-N 2.77Å; G862-T883 WeakPolarHBondContact CA-O 3.39Å; G862-T883 PolarHBondContact N-O 3.31Å
863	V	90.6	Very high	88.2	Confident	17 Å²	17	24.7 Å²	24.7	10%	0.103	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	138.5	176	-172.9	0	0	0	0	109.3	D859 K877 I878 F879	D859-V863 PolarHBondContact N-O 2.74Å; D859-V863 PolarHBondContact OD1-N 3.48Å; D859-V863 WeakPolarHBondContact OD2-CB 3Å; V863-K877 HydrophobicContact CG1-CB 4.5Å; V863-I878 CarbonylContact C-O 3.56Å; V863-I878 WeakPolarHBondContact CA-O 3.29Å; V863-F879 HydrophobicContact CG2-CD1 3.88Å; V863-F879 HydrophobicContact CG2-CE1 4.12Å
864	V	91.7	Very high	88.7	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.1	172.1	-177.8	0	0	0	0	109.2	A856 V857 I878 A880 V885 L888 L896 T898	A856-V864 HydrophobicContact CB-CG1 4.45Å; V857-V864 CarbonylContact O-C 3.6Å; V857-V864 VanDerWaalsContact O-CA 3.29Å; V857-V864 WeakPolarHBondContact O-CA 3.45Å; V864-I878 HydrophobicContact CB-CB 4.33Å; V864-I878 PolarHBondContact N-O 2.95Å; V864-I878 WeakPolarHBondContact O-CB 3.45Å; V864-I878 PolarHBondContact O-N 3.42Å; V864-A880 HydrophobicContact CG2-CB 4.02Å; V864-V885 HydrophobicContact CG2-CB 4.5Å; V864-V885 HydrophobicContact CG2-CG1 4.15Å; V864-V885 HydrophobicContact CG2-CG2 3.84Å; V864-L888 HydrophobicContact CG1-CD2 3.95Å; V864-L888 HydrophobicContact CG2-CD2 4.08Å; V864-L896 HydrophobicContact CG1-CD2 3.78Å; V864-T898 HydrophobicContact CG2-CG2 3.85Å
865	C	92.3	Very high	88.6	Confident	4 Å²	4	30.1 Å²	30.1	3%	0.027	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.7	178	-70.3	0	0	0	0	110	Y833 A856 V857	Y833-C865 PolarHBondContact OH-SG 2.92Å; A856-C865 WeakPolarHBondContact CA-O 3.49Å; V857-C865 PolarHBondContact N-O 3.29Å; V857-C865 PolarHBondContact O-N 3.17Å
866	L	91.2	Very high	88.3	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	120.6	172.9	-67.8	-176.8	0	0	0	109.1	L854 L855 A856 L875 H876 I878 L896 Y906 L908	L854-L866 HydrophobicContact CD1-CB 4.2Å; L854-L866 HydrophobicContact CD2-CD2 4.28Å; L854-L866 HydrophobicContact CG-CD2 4.46Å; L855-L866 CarbonylContact O-C 3.53Å; L855-L866 WeakPolarHBondContact O-CA 3.46Å; A856-L866 HydrophobicContact CB-CD2 3.83Å; L866-L875 PolarHBondContact O-N 2.81Å; L866-H876 HydrophobicContact CB-CB 4.28Å; L866-H876 HydrophobicContact CD1-CB 4.23Å; L866-H876 PolarHBondContact N-O 2.94Å; L866-H876 PolarHBondContact O-N 2.71Å; L866-I878 HydrophobicContact CD1-CD1 3.88Å; L866-I878 HydrophobicContact CG-CD1 4.07Å; L866-L896 HydrophobicContact CD2-CD2 3.77Å; L866-Y906 HydrophobicContact CD1-CD1 4.35Å; L866-Y906 HydrophobicContact CD1-CE1 3.96Å; L866-L908 HydrophobicContact CD1-CD2 3.38Å
867	I	90.3	Very high	88.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.2	-173.6	-55.8	171	0	0	0	109	F831 Y833 L855 V857	F831-I867 HydrophobicContact CE2-CG2 3.77Å; F831-I867 HydrophobicContact CZ-CG2 3.76Å; Y833-I867 HydrophobicContact CD1-CD1 3.93Å; Y833-I867 HydrophobicContact CD2-CD1 3.52Å; Y833-I867 HydrophobicContact CD2-CG1 4.49Å; Y833-I867 HydrophobicContact CE1-CD1 4.31Å; Y833-I867 HydrophobicContact CE2-CD1 3.92Å; Y833-I867 HydrophobicContact CG-CD1 3.52Å; L855-I867 HydrophobicContact CB-CB 4.34Å; L855-I867 HydrophobicContact CD2-CD1 4.42Å; L855-I867 PolarHBondContact N-O 3.1Å; L855-I867 PolarHBondContact O-N 2.99Å; V857-I867 HydrophobicContact CG2-CD1 4.12Å
868	S	88	Confident	87.7	Confident	15 Å²	15	37 Å²	37	11%	0.105	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	123.8	171.3	174.8	0	0	0	0	110	N853 S870 S871 G872 S873	N853-S868 CarbonylContact O-C 3.35Å; N853-S868 WeakPolarHBondContact O-CA 3.46Å; S868-S870 VanDerWaalsContact C-N 3.32Å; S868-S870 PolarHBondContact O-N 3.46Å; S868-S870 PolarHBondContact OG-OG 2.81Å; S868-S871 VanDerWaalsContact CB-OG 3.22Å; S868-S871 WeakPolarHBondContact CB-OG 3.3Å; S868-S871 PolarHBondContact OG-OG 2.74Å; S868-S871 VanDerWaalsContact OG-OG 3.14Å; S868-G872 VanDerWaalsContact O-CA 3.25Å; S868-G872 WeakPolarHBondContact O-CA 3.19Å; S868-G872 PolarHBondContact O-N 2.77Å; S868-S873 PolarHBondContact N-O 2.81Å
869	L	84.9	Confident	87.4	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.01	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-29.3	-178	-75.8	162.2	0	0	0	113	W809 V821 F831 I845 G852 N853 L855	W809-L869 HydrophobicContact CD2-CB 4.4Å; W809-L869 HydrophobicContact CE3-CB 3.68Å; W809-L869 HydrophobicContact CE3-CD1 3.5Å; W809-L869 VanDerWaalsContact CE3-CD1 3.5Å; W809-L869 HydrophobicContact CE3-CD2 4.42Å; W809-L869 HydrophobicContact CE3-CG 4.04Å; W809-L869 HydrophobicContact CH2-CB 3.69Å; W809-L869 HydrophobicContact CZ2-CB 4.49Å; W809-L869 HydrophobicContact CZ3-CB 3.28Å; W809-L869 HydrophobicContact CZ3-CD1 3.63Å; W809-L869 HydrophobicContact CZ3-CG 4.02Å; V821-L869 HydrophobicContact CB-CD2 4.33Å; V821-L869 HydrophobicContact CG1-CD2 3.54Å; V821-L869 HydrophobicContact CG2-CD2 3.89Å; F831-L869 HydrophobicContact CE1-CD2 4.36Å; F831-L869 WeakPolarHBondContact CE1-O 3.49Å; F831-L869 HydrophobicContact CZ-CD2 4.3Å; I845-L869 HydrophobicContact CG1-CD1 4.28Å; I845-L869 HydrophobicContact CG2-CD1 3.7Å; G852-L869 VanDerWaalsContact O-CD1 3.29Å; G852-L869 WeakPolarHBondContact O-CD1 3.4Å; N853-L869 PolarHBondContact O-N 2.98Å; L855-L869 HydrophobicContact CB-CD1 4.41Å; L855-L869 HydrophobicContact CB-CD2 3.87Å; L855-L869 HydrophobicContact CB-CG 3.99Å; L855-L869 HydrophobicContact CD2-CD2 4.47Å
870	S	80.6	Confident	86.7	Confident	83 Å²	83	44.7 Å²	44.7	58%	0.58	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-33.4	-179	57.6	0	0	0	0	113.7	S868	S868-S870 VanDerWaalsContact C-N 3.32Å; S868-S870 PolarHBondContact O-N 3.46Å; S868-S870 PolarHBondContact OG-OG 2.81Å
871	S	80.9	Confident	86.2	Confident	74 Å²	74	42.7 Å²	42.7	52%	0.517	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-15.7	-175.5	56.5	0	0	0	0	113.8	S868 S873	S868-S871 VanDerWaalsContact CB-OG 3.22Å; S868-S871 WeakPolarHBondContact CB-OG 3.3Å; S868-S871 PolarHBondContact OG-OG 2.74Å; S868-S871 VanDerWaalsContact OG-OG 3.14Å; S871-S873 PolarHBondContact O-N 2.82Å; S871-S873 WeakPolarHBondContact OG-CB 3.36Å; S871-S873 PolarHBondContact OG-N 2.84Å; S871-S873 PolarHBondContact OG-OG 2.89Å
872	G	84.8	Confident	85.6	Confident	20 Å²	20	41.6 Å²	41.6	21%	0.206	23%	0.23	C	C	.	.			trans	65.6	7.8	-167.7	0	0	0	0	0	113.8	S868	S868-G872 VanDerWaalsContact O-CA 3.25Å; S868-G872 WeakPolarHBondContact O-CA 3.19Å; S868-G872 PolarHBondContact O-N 2.77Å
873	S	87.3	Confident	85.1	Confident	52 Å²	52	42.2 Å²	42.2	36%	0.364	23%	0.234	S	C	.	.			trans	-81.6	135.3	-176.1	65.1	0	0	0	0	111.5	S868 S871 L875	S868-S873 PolarHBondContact N-O 2.81Å; S871-S873 PolarHBondContact O-N 2.82Å; S871-S873 WeakPolarHBondContact OG-CB 3.36Å; S871-S873 PolarHBondContact OG-N 2.84Å; S871-S873 PolarHBondContact OG-OG 2.89Å; S873-L875 PolarHBondContact O-N 2.84Å
874	I	88.5	Confident	84.8	Confident	78 Å²	78	43.5 Å²	43.5	40%	0.4	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	117.3	171.3	-50.9	168.1	0	0	0	108.4	Y833 K877	Y833-I874 HydrophobicContact CD2-CD1 4.5Å; Y833-I874 HydrophobicContact CD2-CG1 4.38Å; Y833-I874 HydrophobicContact CE2-CD1 3.68Å; Y833-I874 HydrophobicContact CE2-CG1 3.85Å; I874-K877 HydrophobicContact CG2-CG 3.95Å
875	L	85.5	Confident	84.7	Confident	73 Å²	73	43.5 Å²	43.5	38%	0.382	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-49.3	175.5	-62.2	176.5	0	0	0	110.3	L854 L866 S873	L854-L875 HydrophobicContact CD1-CD1 3.6Å; L866-L875 PolarHBondContact O-N 2.81Å; S873-L875 PolarHBondContact O-N 2.84Å
876	H	84.1	Confident	84.3	Confident	51 Å²	51	47.1 Å²	47.1	24%	0.236	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	143.2	-177	-65.2	-52.6	0	0	0	111.8	L866 R911	L866-H876 HydrophobicContact CB-CB 4.28Å; L866-H876 HydrophobicContact CD1-CB 4.23Å; L866-H876 PolarHBondContact N-O 2.94Å; L866-H876 PolarHBondContact O-N 2.71Å; H876-R911 PolarHBondContact CE1-NE 2.73Å; H876-R911 VanDerWaalsContact CE1-NE 3.32Å; H876-R911 PolarHBondContact CE1-NH2 2.79Å; H876-R911 PolarHBondContact NE2-NE 2.83Å; H876-R911 PolarHBondContact NE2-NH2 3.34Å
877	K	87.8	Confident	84.1	Confident	86 Å²	86	47.5 Å²	47.5	37%	0.374	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.2	164.1	-65.3	-163.5	174.7	-169.4	0	108.7	E835 V863 I874	E835-K877 IonicContact OE1-NZ 3.85Å; E835-K877 PolarHBondContact OE1-NZ 2.81Å; E835-K877 IonicContact OE2-NZ 3.08Å; E835-K877 PolarHBondContact OE2-NZ 2.8Å; V863-K877 HydrophobicContact CG1-CB 4.5Å; I874-K877 HydrophobicContact CG2-CG 3.95Å
878	I	86.2	Confident	84.1	Confident	12 Å²	12	48 Å²	48	6%	0.062	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	113.2	-176.6	-53.2	165.9	0	0	0	107.1	V863 V864 L866 A880 Y906 L913	V863-I878 CarbonylContact C-O 3.56Å; V863-I878 WeakPolarHBondContact CA-O 3.29Å; V864-I878 HydrophobicContact CB-CB 4.33Å; V864-I878 PolarHBondContact N-O 2.95Å; V864-I878 WeakPolarHBondContact O-CB 3.45Å; V864-I878 PolarHBondContact O-N 3.42Å; L866-I878 HydrophobicContact CD1-CD1 3.88Å; L866-I878 HydrophobicContact CG-CD1 4.07Å; I878-A880 HydrophobicContact CG2-CB 3.98Å; I878-A880 PolarHBondContact O-N 2.79Å; I878-Y906 HydrophobicContact CD1-CD1 3.52Å; I878-Y906 HydrophobicContact CD1-CD2 3.84Å; I878-Y906 HydrophobicContact CD1-CE1 3.59Å; I878-Y906 HydrophobicContact CD1-CE2 3.91Å; I878-Y906 HydrophobicContact CD1-CG 3.63Å; I878-Y906 HydrophobicContact CG1-CD2 4.33Å; I878-Y906 HydrophobicContact CG1-CE1 4.36Å; I878-Y906 HydrophobicContact CG1-CE2 4.06Å; I878-Y906 HydrophobicContact CG2-CD2 4.18Å; I878-Y906 HydrophobicContact CG2-CE2 4.39Å; I878-L913 HydrophobicContact CG2-CD1 4.23Å; I878-L913 HydrophobicContact CG2-CD2 4.39Å
879	F	85.8	Confident	84	Confident	170 Å²	170	48.1 Å²	48.1	75%	0.746	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	74	169.3	-63.1	-86.2	0	0	0	108.7	V863	V863-F879 HydrophobicContact CG2-CD1 3.88Å; V863-F879 HydrophobicContact CG2-CE1 4.12Å
880	A	78.2	Confident	84	Confident	2 Å²	2	49.3 Å²	49.3	2%	0.017	27%	0.273	C	S	.	.			trans	-75.2	-44.9	-167.1	0	0	0	0	0	112.1	G862 V864 I878 K904 L913	G862-A880 PolarHBondContact O-N 2.92Å; G862-A880 VanDerWaalsContact O-N 3.16Å; V864-A880 HydrophobicContact CG2-CB 4.02Å; I878-A880 HydrophobicContact CG2-CB 3.98Å; I878-A880 PolarHBondContact O-N 2.79Å; A880-K904 VanDerWaalsContact O-CD 3.29Å; A880-K904 WeakPolarHBondContact O-CD 3.35Å; A880-K904 PolarHBondContact O-NZ 2.93Å; A880-L913 HydrophobicContact CB-CD1 4.48Å; A880-L913 HydrophobicContact CB-CD2 4.27Å
881	H	79.5	Confident	83.8	Confident	11 Å²	11	45.5 Å²	45.5	5%	0.051	25%	0.247	C	C	.	.			trans	-134.8	162.7	-170	-61.5	-71.7	0	0	0	112	G862 T883 T898 E902	G862-H881 WeakPolarHBondContact CA-O 3.4Å; G862-H881 PolarHBondContact O-N 2.77Å; H881-T883 VanDerWaalsContact C-N 3.34Å; H881-T883 WeakPolarHBondContact CB-O 3.16Å; H881-T898 WeakPolarHBondContact NE2-CB 3.37Å; H881-T898 PolarHBondContact NE2-O 2.94Å; H881-T898 PolarHBondContact NE2-OG1 3.29Å; H881-E902 PolarHBondContact CE1-O 2.94Å
882	L	73.9	Confident	83.2	Confident	121 Å²	121	46.7 Å²	46.7	63%	0.634	24%	0.244	S	C	*	.	S	Bend	trans	-98	9.8	171.5	-64.9	173.3	0	0	0	111.7	I217 R585	I217-L882 HydrophobicContact CG2-CD1 3.83Å; R585-L882 PolarHBondContact NH2-O 3.38Å; R585-L882 VanDerWaalsContact NH2-O 3.07Å
883	T	75.5	Confident	82.1	Confident	14 Å²	14	46.6 Å²	46.6	9%	0.086	24%	0.24	C	C	.	.	S	Bend	trans	-140.3	157.8	-175.3	41.2	0	0	0	0	108.6	G862 H881 S900 S901	G862-T883 WeakPolarHBondContact CA-O 3.39Å; G862-T883 PolarHBondContact N-O 3.31Å; H881-T883 VanDerWaalsContact C-N 3.34Å; H881-T883 WeakPolarHBondContact CB-O 3.16Å; T883-S900 WeakPolarHBondContact CB-OG 3.34Å; T883-S900 PolarHBondContact O-OG 2.74Å; T883-S900 VanDerWaalsContact O-OG 3.08Å; T883-S900 PolarHBondContact OG1-OG 3.24Å; T883-S901 PolarHBondContact OG1-N 3.15Å; T883-S901 PolarHBondContact OG1-OG 3.1Å; T883-S901 VanDerWaalsContact OG1-OG 3.12Å
884	P	84.8	Confident	81.4	Confident	44 Å²	44	48.1 Å²	48.1	29%	0.286	24%	0.238	S	C	.	.			trans	-50.3	141.4	178.9	-26.2	31.3	0	0	0	113.1	D860 H886 S900	D860-P884 WeakPolarHBondContact O-CG 3.25Å; P884-H886 PolarHBondContact O-N 2.69Å; P884-S900 WeakPolarHBondContact O-CB 3.27Å; P884-S900 PolarHBondContact O-OG 3.18Å
885	V	88.1	Confident	80.9	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.			trans	-87.1	107.9	174.5	-172.7	0	0	0	0	108.7	Q841 C842 D859 V864 L888 L899	Q841-V885 WeakPolarHBondContact CB-O 3.39Å; C842-V885 PolarHBondContact SG-O 3.18Å; D859-V885 PolarHBondContact O-N 3.23Å; V864-V885 HydrophobicContact CG2-CB 4.5Å; V864-V885 HydrophobicContact CG2-CG1 4.15Å; V864-V885 HydrophobicContact CG2-CG2 3.84Å; V885-L888 HydrophobicContact CG1-CD2 3.96Å; V885-L888 HydrophobicContact CG1-CG 4.27Å; V885-L899 CarbonylContact C-O 3.57Å; V885-L899 WeakPolarHBondContact CA-O 3.42Å
886	H	84.9	Confident	80.9	Confident	79 Å²	79	41 Å²	41	37%	0.366	20%	0.202	S	C	.	.			trans	-87.3	-19.5	-175	-60.7	-59.5	0	0	0	113.3	P884 L899	P884-H886 PolarHBondContact O-N 2.69Å; H886-L899 PolarHBondContact N-O 2.8Å
887	G	86.2	Confident	81	Confident	11 Å²	11	38.6 Å²	38.6	11%	0.113	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	154.8	-179.9	0	0	0	0	0	112.9	L899	G887-L899 WeakPolarHBondContact O-CB 3.24Å; G887-L899 PolarHBondContact O-N 2.8Å
888	L	89.7	Confident	80.9	Confident	11 Å²	11	34.5 Å²	34.5	6%	0.058	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	145.1	177.9	-68.1	168.2	0	0	0	108.1	K844 A856 V864 V885 L896 V897 T898	K844-L888 HydrophobicContact CB-CB 4.19Å; K844-L888 HydrophobicContact CG-CB 3.9Å; K844-L888 WeakPolarHBondContact CG-O 3.32Å; A856-L888 HydrophobicContact CB-CD1 3.84Å; V864-L888 HydrophobicContact CG1-CD2 3.95Å; V864-L888 HydrophobicContact CG2-CD2 4.08Å; V885-L888 HydrophobicContact CG1-CD2 3.96Å; V885-L888 HydrophobicContact CG1-CG 4.27Å; L888-L896 HydrophobicContact CB-CD1 4.35Å; L888-L896 HydrophobicContact CD2-CD1 4.16Å; L888-L896 HydrophobicContact CD2-CD2 4.34Å; L888-L896 HydrophobicContact CD2-CG 4.46Å; L888-V897 WeakPolarHBondContact CA-O 3.5Å; L888-T898 HydrophobicContact CD2-CG2 3.79Å
889	A	87	Confident	80.9	Confident	17 Å²	17	34.1 Å²	34.1	14%	0.14	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	129.8	173.7	0	0	0	0	0	109.9	V897 I924 L926	A889-V897 PolarHBondContact N-O 2.9Å; A889-V897 PolarHBondContact O-N 3.15Å; A889-I924 HydrophobicContact CB-CG2 3.57Å; A889-L926 HydrophobicContact CB-CD1 3.6Å
890	F	84.2	Confident	80.6	Confident	26 Å²	26	26 Å²	26	11%	0.114	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	145.3	173.5	-77.8	-77	0	0	0	110.7	K844 L854 A856 L896	K844-F890 HydrophobicContact CB-CD2 4.21Å; K844-F890 HydrophobicContact CB-CE2 4.12Å; K844-F890 WeakPolarHBondContact O-CE2 3.42Å; L854-F890 HydrophobicContact CD2-CE1 3.83Å; L854-F890 HydrophobicContact CD2-CZ 4.08Å; L854-F890 HydrophobicContact CG-CZ 4.32Å; A856-F890 HydrophobicContact CB-CE2 3.81Å; A856-F890 HydrophobicContact CB-CZ 3.56Å; F890-L896 HydrophobicContact CD1-CB 4.31Å; F890-L896 HydrophobicContact CD1-CD1 3.96Å; F890-L896 HydrophobicContact CD2-CD1 4.33Å; F890-L896 HydrophobicContact CE1-CB 4.17Å; F890-L896 HydrophobicContact CE1-CD1 3.84Å; F890-L896 HydrophobicContact CE1-CG 4.44Å; F890-L896 HydrophobicContact CE2-CD1 4.21Å; F890-L896 HydrophobicContact CG-CD1 4.23Å; F890-L896 HydrophobicContact CZ-CD1 3.99Å
891	C	77.7	Confident	80.3	Confident	4 Å²	4	27.3 Å²	27.3	3%	0.027	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	147.3	168.4	-53.4	0	0	0	0	110.1	S893 Y894 T895 E928 W950	C891-S893 PolarHBondContact O-N 3.02Å; C891-Y894 PolarHBondContact O-N 3.42Å; C891-T895 HydrophobicContact CB-CG2 4.27Å; C891-T895 WeakPolarHBondContact CB-O 3.38Å; C891-T895 PolarHBondContact N-O 2.81Å; C891-E928 WeakPolarHBondContact CA-OE1 3.5Å; C891-E928 WeakPolarHBondContact CB-OE1 3.47Å; C891-W950 HydrophobicContact CB-CE3 4.03Å; C891-W950 HydrophobicContact CB-CH2 3.81Å; C891-W950 HydrophobicContact CB-CZ3 3.36Å; C891-W950 WeakPolarHBondContact SG-CH2 3.45Å; C891-W950 WeakPolarHBondContact SG-CZ3 3.48Å
892	Q	66.8	Low	80	Confident	98 Å²	98	27.5 Å²	27.5	46%	0.458	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-26.1	173.6	-48.8	-178.5	-30.8	0	0	111.3	Y894 E928	Q892-Y894 VanDerWaalsContact C-N 3.32Å; Q892-Y894 PolarHBondContact O-N 3.45Å; Q892-E928 WeakPolarHBondContact CB-OE2 3.49Å; Q892-E928 VanDerWaalsContact N-CD 3.33Å; Q892-E928 PolarHBondContact N-OE1 2.93Å; Q892-E928 PolarHBondContact N-OE2 2.79Å
893	S	62.1	Low	80.2	Confident	19 Å²	19	21.8 Å²	21.8	13%	0.133	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	39.4	-179.1	-53	0	0	0	0	114.9	C891 T895 E928	C891-S893 PolarHBondContact O-N 3.02Å; S893-T895 PolarHBondContact O-N 2.87Å; S893-T895 VanDerWaalsContact O-N 3.13Å; S893-T895 PolarHBondContact O-OG1 3.46Å; S893-E928 PolarHBondContact N-OE2 3.43Å; S893-E928 PolarHBondContact OG-OE2 3Å
894	Y	72.1	Confident	80.4	Confident	83 Å²	83	21.9 Å²	21.9	33%	0.325	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	34.7	177.8	-58.9	-83.3	0	0	0	114.3	Y849 P850 C891 Q892 L908	Y849-Y894 AromaticContact CD2-CD1 3.88Å; Y849-Y894 HydrophobicContact CD2-CD1 3.88Å; Y849-Y894 HydrophobicContact CD2-CE1 4.17Å; Y849-Y894 HydrophobicContact CE2-CD1 4.08Å; Y849-Y894 HydrophobicContact CE2-CE1 4.44Å; P850-Y894 HydrophobicContact CG-CE1 4.23Å; C891-Y894 PolarHBondContact O-N 3.42Å; Q892-Y894 VanDerWaalsContact C-N 3.32Å; Q892-Y894 PolarHBondContact O-N 3.45Å; Y894-L908 WeakPolarHBondContact O-CB 3.2Å; Y894-L908 WeakPolarHBondContact O-CG 3.41Å; Y894-L908 PolarHBondContact O-N 2.95Å
895	T	79.2	Confident	80.3	Confident	2 Å²	2	20 Å²	20	1%	0.012	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.5	-174.4	-74	0	0	0	0	109.2	C891 S893 V897 W905 Y906 W950	C891-T895 HydrophobicContact CB-CG2 4.27Å; C891-T895 WeakPolarHBondContact CB-O 3.38Å; C891-T895 PolarHBondContact N-O 2.81Å; S893-T895 PolarHBondContact O-N 2.87Å; S893-T895 VanDerWaalsContact O-N 3.13Å; S893-T895 PolarHBondContact O-OG1 3.46Å; T895-V897 HydrophobicContact CG2-CG2 4.38Å; T895-W905 HydrophobicContact CG2-CB 4.07Å; T895-W905 HydrophobicContact CG2-CD2 4.26Å; T895-W905 HydrophobicContact CG2-CE3 3.42Å; T895-W905 VanDerWaalsContact CG2-CE3 3.42Å; T895-W905 HydrophobicContact CG2-CZ3 4.19Å; T895-Y906 WeakPolarHBondContact CA-O 3.47Å; T895-W950 HydrophobicContact CG2-CZ2 4.32Å
896	L	85.5	Confident	79.8	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.4	173	175.4	64.2	0	0	0	109.3	A856 V864 L866 L888 F890 T898 W905 Y906	A856-L896 HydrophobicContact CB-CD1 4.12Å; A856-L896 HydrophobicContact CB-CD2 3.86Å; V864-L896 HydrophobicContact CG1-CD2 3.78Å; L866-L896 HydrophobicContact CD2-CD2 3.77Å; L888-L896 HydrophobicContact CB-CD1 4.35Å; L888-L896 HydrophobicContact CD2-CD1 4.16Å; L888-L896 HydrophobicContact CD2-CD2 4.34Å; L888-L896 HydrophobicContact CD2-CG 4.46Å; F890-L896 HydrophobicContact CD1-CB 4.31Å; F890-L896 HydrophobicContact CD1-CD1 3.96Å; F890-L896 HydrophobicContact CD2-CD1 4.33Å; F890-L896 HydrophobicContact CE1-CB 4.17Å; F890-L896 HydrophobicContact CE1-CD1 3.84Å; F890-L896 HydrophobicContact CE1-CG 4.44Å; F890-L896 HydrophobicContact CE2-CD1 4.21Å; F890-L896 HydrophobicContact CG-CD1 4.23Å; F890-L896 HydrophobicContact CZ-CD1 3.99Å; L896-T898 HydrophobicContact CD2-CG2 4.21Å; L896-T898 HydrophobicContact CG-CG2 4.07Å; L896-W905 CarbonylContact O-C 3.56Å; L896-W905 WeakPolarHBondContact O-CA 3.36Å; L896-Y906 PolarHBondContact N-O 2.98Å; L896-Y906 PolarHBondContact O-N 3.07Å
897	V	85.2	Confident	79.5	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	133.7	170	-169.9	0	0	0	0	109.5	L888 A889 T895 L899 V903 W905 I924 L926	L888-V897 WeakPolarHBondContact CA-O 3.5Å; A889-V897 PolarHBondContact N-O 2.9Å; A889-V897 PolarHBondContact O-N 3.15Å; T895-V897 HydrophobicContact CG2-CG2 4.38Å; V897-L899 HydrophobicContact CG1-CD2 4.27Å; V897-V903 HydrophobicContact CG1-CG1 3.32Å; V897-W905 HydrophobicContact CG2-CB 4.21Å; V897-I924 HydrophobicContact CB-CD1 4.03Å; V897-I924 HydrophobicContact CG1-CD1 3.34Å; V897-I924 HydrophobicContact CG2-CD1 4.43Å; V897-L926 HydrophobicContact CG2-CD1 4.13Å; V897-L926 HydrophobicContact CG2-CD2 4.38Å
898	T	86.2	Confident	79.1	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.9	-175.1	61.4	0	0	0	0	108.8	V864 H881 L888 L896 V903 K904	V864-T898 HydrophobicContact CG2-CG2 3.85Å; H881-T898 WeakPolarHBondContact NE2-CB 3.37Å; H881-T898 PolarHBondContact NE2-O 2.94Å; H881-T898 PolarHBondContact NE2-OG1 3.29Å; L888-T898 HydrophobicContact CD2-CG2 3.79Å; L896-T898 HydrophobicContact CD2-CG2 4.21Å; L896-T898 HydrophobicContact CG-CG2 4.07Å; T898-V903 WeakPolarHBondContact O-CA 3.43Å; T898-K904 PolarHBondContact N-O 2.92Å; T898-K904 PolarHBondContact O-N 2.76Å; T898-K904 VanDerWaalsContact O-N 3.1Å; T898-K904 PolarHBondContact OG1-O 3.46Å
899	L	86	Confident	78.3	Confident	4 Å²	4	21.2 Å²	21.2	2%	0.021	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.9	-177.4	-50.5	-178.2	0	0	0	110.6	V885 H886 G887 V897 V903 A921 I924	V885-L899 CarbonylContact C-O 3.57Å; V885-L899 WeakPolarHBondContact CA-O 3.42Å; H886-L899 PolarHBondContact N-O 2.8Å; G887-L899 WeakPolarHBondContact O-CB 3.24Å; G887-L899 PolarHBondContact O-N 2.8Å; V897-L899 HydrophobicContact CG1-CD2 4.27Å; L899-V903 HydrophobicContact CD2-CB 4.33Å; L899-V903 HydrophobicContact CD2-CG1 3.71Å; L899-V903 HydrophobicContact CD2-CG2 3.72Å; L899-A921 HydrophobicContact CB-CB 4.38Å; L899-A921 HydrophobicContact CD1-CB 4.44Å; L899-A921 HydrophobicContact CD2-CB 3.79Å; L899-A921 HydrophobicContact CG-CB 4.42Å; L899-I924 HydrophobicContact CD1-CB 3.8Å; L899-I924 HydrophobicContact CD1-CG2 3.67Å; L899-I924 HydrophobicContact CD2-CB 3.73Å; L899-I924 HydrophobicContact CD2-CD1 3.9Å; L899-I924 HydrophobicContact CD2-CG1 4.36Å; L899-I924 HydrophobicContact CD2-CG2 3.97Å; L899-I924 HydrophobicContact CG-CB 4.3Å; L899-I924 HydrophobicContact CG-CG2 4.14Å
900	S	80.7	Confident	77.5	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-148	-144.2	172.6	-164.8	0	0	0	0	108.7	T883 P884 E902	T883-S900 WeakPolarHBondContact CB-OG 3.34Å; T883-S900 PolarHBondContact O-OG 2.74Å; T883-S900 VanDerWaalsContact O-OG 3.08Å; T883-S900 PolarHBondContact OG1-OG 3.24Å; P884-S900 WeakPolarHBondContact O-CB 3.27Å; P884-S900 PolarHBondContact O-OG 3.18Å; S900-E902 CarbonylContact C-O 3.54Å; S900-E902 PolarHBondContact N-O 3.39Å; S900-E902 PolarHBondContact O-N 3.1Å
901	S	71.3	Confident	77.1	Confident	30 Å²	30	29.3 Å²	29.3	21%	0.21	15%	0.149	C	C	.	.	S	Bend	trans	-63.5	-16.3	168.3	68.2	0	0	0	0	113.3	T883 S920	T883-S901 PolarHBondContact OG1-N 3.15Å; T883-S901 PolarHBondContact OG1-OG 3.1Å; T883-S901 VanDerWaalsContact OG1-OG 3.12Å; S901-S920 WeakPolarHBondContact O-CA 3.39Å
902	E	73.8	Confident	76.7	Confident	15 Å²	15	35.4 Å²	35.4	7%	0.07	17%	0.171	C	C	.	.	S	Bend	trans	-131.6	157.5	172.4	-60.7	175.5	163.9	0	0	107.5	H214 H881 S900 K904 L915	H214-E902 IonicContact CE1-OE1 3.58Å; H214-E902 PolarHBondContact CE1-OE1 3.35Å; H214-E902 IonicContact CG-OE1 3.11Å; H214-E902 IonicContact ND1-OE1 3.52Å; H214-E902 PolarHBondContact ND1-OE1 2.89Å; H881-E902 PolarHBondContact CE1-O 2.94Å; S900-E902 CarbonylContact C-O 3.54Å; S900-E902 PolarHBondContact N-O 3.39Å; S900-E902 PolarHBondContact O-N 3.1Å; E902-K904 WeakPolarHBondContact OE2-CE 3.47Å; E902-K904 IonicContact OE2-NZ 3.68Å; E902-K904 PolarHBondContact OE2-NZ 3.12Å; E902-L915 HydrophobicContact CB-CD1 4.15Å
903	V	78.1	Confident	77	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.7	169.2	-173.4	0	0	0	0	109.6	V897 T898 L899 F916 A917 A921 I924 I935	V897-V903 HydrophobicContact CG1-CG1 3.32Å; T898-V903 WeakPolarHBondContact O-CA 3.43Å; L899-V903 HydrophobicContact CD2-CB 4.33Å; L899-V903 HydrophobicContact CD2-CG1 3.71Å; L899-V903 HydrophobicContact CD2-CG2 3.72Å; V903-F916 HydrophobicContact CB-CB 4.35Å; V903-F916 HydrophobicContact CB-CD1 4.42Å; V903-F916 HydrophobicContact CG1-CB 3.99Å; V903-F916 HydrophobicContact CG1-CD1 3.92Å; V903-F916 HydrophobicContact CG1-CG 4.32Å; V903-F916 WeakPolarHBondContact O-CA 3.4Å; V903-F916 WeakPolarHBondContact O-CB 3.43Å; V903-F916 PolarHBondContact O-N 2.85Å; V903-A917 HydrophobicContact CB-CB 4.03Å; V903-A917 HydrophobicContact CG2-CB 4.33Å; V903-A917 PolarHBondContact N-O 3.46Å; V903-A917 PolarHBondContact O-N 2.83Å; V903-A917 VanDerWaalsContact O-O 3.12Å; V903-A921 HydrophobicContact CG2-CB 3.27Å; V903-I924 HydrophobicContact CG1-CD1 4.28Å; V903-I935 HydrophobicContact CB-CD1 3.88Å; V903-I935 HydrophobicContact CG1-CD1 3.95Å; V903-I935 HydrophobicContact CG2-CD1 3.6Å; V903-I935 HydrophobicContact CG2-CG1 4.28Å; V903-I935 HydrophobicContact CG2-CG2 4.35Å
904	K	78.8	Confident	77.4	Confident	17 Å²	17	32.8 Å²	32.8	7%	0.074	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143.4	176.3	-66.7	176.5	-169.4	168.9	0	109.7	A880 T898 E902 L913 R914 L915	A880-K904 VanDerWaalsContact O-CD 3.29Å; A880-K904 WeakPolarHBondContact O-CD 3.35Å; A880-K904 PolarHBondContact O-NZ 2.93Å; T898-K904 PolarHBondContact N-O 2.92Å; T898-K904 PolarHBondContact O-N 2.76Å; T898-K904 VanDerWaalsContact O-N 3.1Å; T898-K904 PolarHBondContact OG1-O 3.46Å; E902-K904 WeakPolarHBondContact OE2-CE 3.47Å; E902-K904 IonicContact OE2-NZ 3.68Å; E902-K904 PolarHBondContact OE2-NZ 3.12Å; K904-L913 HydrophobicContact CB-CD1 3.82Å; K904-L913 HydrophobicContact CB-CG 4.16Å; K904-L913 HydrophobicContact CD-CD2 3.78Å; K904-L913 HydrophobicContact CD-CG 4.13Å; K904-R914 CarbonylContact C-O 3.31Å; K904-R914 VanDerWaalsContact CA-O 3.24Å; K904-R914 WeakPolarHBondContact CA-O 3.43Å; K904-R914 WeakPolarHBondContact CB-O 3.35Å; K904-L915 HydrophobicContact CG-CD1 4.3Å
905	W	81.7	Confident	77.2	Confident	5 Å²	5	29.1 Å²	29.1	2%	0.019	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	142.7	172.4	76.1	-78.1	0	0	0	109.4	T257 T895 L896 V897 C907 R914 F916	T257-W905 HydrophobicContact CG2-CH2 3.62Å; T257-W905 HydrophobicContact CG2-CZ2 3.7Å; T257-W905 PolarHBondContact O-NE1 3.25Å; T257-W905 WeakPolarHBondContact OG1-CZ2 3.39Å; T895-W905 HydrophobicContact CG2-CB 4.07Å; T895-W905 HydrophobicContact CG2-CD2 4.26Å; T895-W905 HydrophobicContact CG2-CE3 3.42Å; T895-W905 VanDerWaalsContact CG2-CE3 3.42Å; T895-W905 HydrophobicContact CG2-CZ3 4.19Å; L896-W905 CarbonylContact O-C 3.56Å; L896-W905 WeakPolarHBondContact O-CA 3.36Å; V897-W905 HydrophobicContact CG2-CB 4.21Å; W905-C907 HydrophobicContact CE3-CB 4.18Å; W905-C907 HydrophobicContact CH2-CB 3.92Å; W905-C907 HydrophobicContact CZ3-CB 3.49Å; W905-C907 VanDerWaalsContact CZ3-CB 3.49Å; W905-R914 HydrophobicContact CZ2-CB 4.26Å; W905-R914 HydrophobicContact CZ2-CG 4.32Å; W905-R914 PolarHBondContact N-O 3.19Å; W905-R914 PolarHBondContact O-N 2.73Å; W905-F916 HydrophobicContact CB-CB 4.41Å; W905-F916 HydrophobicContact CB-CD2 4.43Å; W905-F916 AromaticContact CD1-CD2 3.98Å; W905-F916 HydrophobicContact CG-CD2 4.34Å
906	Y	78.8	Confident	76.6	Confident	13 Å²	13	29 Å²	29	5%	0.051	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	115	-179	-177.9	-100.2	0	0	0	108.3	L866 I878 T895 L896 L908 R911 L913	L866-Y906 HydrophobicContact CD1-CD1 4.35Å; L866-Y906 HydrophobicContact CD1-CE1 3.96Å; I878-Y906 HydrophobicContact CD1-CD1 3.52Å; I878-Y906 HydrophobicContact CD1-CD2 3.84Å; I878-Y906 HydrophobicContact CD1-CE1 3.59Å; I878-Y906 HydrophobicContact CD1-CE2 3.91Å; I878-Y906 HydrophobicContact CD1-CG 3.63Å; I878-Y906 HydrophobicContact CG1-CD2 4.33Å; I878-Y906 HydrophobicContact CG1-CE1 4.36Å; I878-Y906 HydrophobicContact CG1-CE2 4.06Å; I878-Y906 HydrophobicContact CG2-CD2 4.18Å; I878-Y906 HydrophobicContact CG2-CE2 4.39Å; T895-Y906 WeakPolarHBondContact CA-O 3.47Å; L896-Y906 PolarHBondContact N-O 2.98Å; L896-Y906 PolarHBondContact O-N 3.07Å; Y906-L908 HydrophobicContact CD1-CD2 3.91Å; Y906-L908 HydrophobicContact CE1-CD2 3.93Å; Y906-L908 PolarHBondContact O-N 2.97Å; Y906-R911 WeakPolarHBondContact CE2-O 3.29Å; Y906-R911 WeakPolarHBondContact OH-CA 3.27Å; Y906-R911 WeakPolarHBondContact OH-CB 3.48Å; Y906-L913 HydrophobicContact CD2-CB 4.05Å; Y906-L913 HydrophobicContact CD2-CD1 4.14Å
907	C	77.7	Confident	75.5	Confident	10 Å²	10	29 Å²	29	7%	0.068	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	115.4	174.1	-176.6	0	0	0	0	108.9	W905 S909 S910 R911 R912	W905-C907 HydrophobicContact CE3-CB 4.18Å; W905-C907 HydrophobicContact CH2-CB 3.92Å; W905-C907 HydrophobicContact CZ3-CB 3.49Å; W905-C907 VanDerWaalsContact CZ3-CB 3.49Å; C907-S909 VanDerWaalsContact C-N 3.28Å; C907-S909 PolarHBondContact O-N 2.61Å; C907-S909 PolarHBondContact SG-OG 3.16Å; C907-S910 WeakPolarHBondContact CB-OG 3.18Å; C907-S910 PolarHBondContact SG-OG 3.14Å; C907-R911 VanDerWaalsContact O-CA 3.3Å; C907-R911 WeakPolarHBondContact O-CA 3.17Å; C907-R911 PolarHBondContact O-N 3.45Å; C907-R912 PolarHBondContact N-O 3.16Å; C907-R912 VanDerWaalsContact N-O 3.14Å
908	L	77.6	Confident	74.3	Confident	21 Å²	21	30 Å²	30	11%	0.11	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-33.3	-177.7	-63.3	169.2	0	0	0	111.9	Y849 L854 L866 Y894 Y906	Y849-L908 HydrophobicContact CD2-CD1 3.82Å; Y849-L908 HydrophobicContact CE2-CD1 3.89Å; L854-L908 HydrophobicContact CD2-CD1 3.79Å; L854-L908 HydrophobicContact CD2-CD2 4.07Å; L866-L908 HydrophobicContact CD1-CD2 3.38Å; Y894-L908 WeakPolarHBondContact O-CB 3.2Å; Y894-L908 WeakPolarHBondContact O-CG 3.41Å; Y894-L908 PolarHBondContact O-N 2.95Å; Y906-L908 HydrophobicContact CD1-CD2 3.91Å; Y906-L908 HydrophobicContact CE1-CD2 3.93Å; Y906-L908 PolarHBondContact O-N 2.97Å
909	S	72.8	Confident	73.2	Confident	82 Å²	82	31.3 Å²	31.3	57%	0.573	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-51.3	-179.9	60.7	0	0	0	0	112.7	C907 R911	C907-S909 VanDerWaalsContact C-N 3.28Å; C907-S909 PolarHBondContact O-N 2.61Å; C907-S909 PolarHBondContact SG-OG 3.16Å; S909-R911 VanDerWaalsContact C-N 3.31Å; S909-R911 PolarHBondContact O-N 2.95Å
910	S	70.7	Confident	72.2	Confident	54 Å²	54	31.7 Å²	31.7	38%	0.378	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-11.4	-179	68.1	0	0	0	0	113.8	C907 R912	C907-S910 WeakPolarHBondContact CB-OG 3.18Å; C907-S910 PolarHBondContact SG-OG 3.14Å; S910-R912 PolarHBondContact O-N 3.49Å; S910-R912 VanDerWaalsContact O-N 3.13Å
911	R	76.7	Confident	71.6	Confident	159 Å²	159	31.7 Å²	31.7	60%	0.6	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	25.9	-173.6	-60.7	-178.2	177.6	172.2	-0.5	113.6	H876 Y906 C907 S909	H876-R911 PolarHBondContact CE1-NE 2.73Å; H876-R911 VanDerWaalsContact CE1-NE 3.32Å; H876-R911 PolarHBondContact CE1-NH2 2.79Å; H876-R911 PolarHBondContact NE2-NE 2.83Å; H876-R911 PolarHBondContact NE2-NH2 3.34Å; Y906-R911 WeakPolarHBondContact CE2-O 3.29Å; Y906-R911 WeakPolarHBondContact OH-CA 3.27Å; Y906-R911 WeakPolarHBondContact OH-CB 3.48Å; C907-R911 VanDerWaalsContact O-CA 3.3Å; C907-R911 WeakPolarHBondContact O-CA 3.17Å; C907-R911 PolarHBondContact O-N 3.45Å; S909-R911 VanDerWaalsContact C-N 3.31Å; S909-R911 PolarHBondContact O-N 2.95Å
912	R	69.5	Low	71.8	Confident	132 Å²	132	33.6 Å²	33.6	50%	0.498	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	126.3	178.5	-67.9	-173.6	177.3	-176.2	-0.5	109.9	S254 C907 S910	S254-R912 PolarHBondContact OG-NH1 3.13Å; C907-R912 PolarHBondContact N-O 3.16Å; C907-R912 VanDerWaalsContact N-O 3.14Å; S910-R912 PolarHBondContact O-N 3.49Å; S910-R912 VanDerWaalsContact O-N 3.13Å
913	L	73.3	Confident	71.9	Confident	44 Å²	44	38.6 Å²	38.6	23%	0.23	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	133	165.8	-171.4	73.5	0	0	0	108.8	I878 A880 K904 Y906	I878-L913 HydrophobicContact CG2-CD1 4.23Å; I878-L913 HydrophobicContact CG2-CD2 4.39Å; A880-L913 HydrophobicContact CB-CD1 4.48Å; A880-L913 HydrophobicContact CB-CD2 4.27Å; K904-L913 HydrophobicContact CB-CD1 3.82Å; K904-L913 HydrophobicContact CB-CG 4.16Å; K904-L913 HydrophobicContact CD-CD2 3.78Å; K904-L913 HydrophobicContact CD-CG 4.13Å; Y906-L913 HydrophobicContact CD2-CB 4.05Å; Y906-L913 HydrophobicContact CD2-CD1 4.14Å
914	R	69.7	Low	72.1	Confident	18 Å²	18	39.8 Å²	39.8	7%	0.068	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152	177.2	-65.5	-168.2	-174.1	132.7	3.8	110.6	S254 T257 K904 W905	S254-R914 VanDerWaalsContact CB-NH2 3.32Å; S254-R914 PolarHBondContact O-NE 2.73Å; S254-R914 PolarHBondContact O-NH1 3.3Å; S254-R914 PolarHBondContact O-NH2 3Å; S254-R914 PolarHBondContact OG-NH2 3.33Å; T257-R914 PolarHBondContact OG1-NH1 3.05Å; K904-R914 CarbonylContact C-O 3.31Å; K904-R914 VanDerWaalsContact CA-O 3.24Å; K904-R914 WeakPolarHBondContact CA-O 3.43Å; K904-R914 WeakPolarHBondContact CB-O 3.35Å; W905-R914 HydrophobicContact CZ2-CB 4.26Å; W905-R914 HydrophobicContact CZ2-CG 4.32Å; W905-R914 PolarHBondContact N-O 3.19Å; W905-R914 PolarHBondContact O-N 2.73Å
915	L	68.1	Low	72.2	Confident	5 Å²	5	40.7 Å²	40.7	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	133.6	171.3	-173.9	72.6	0	0	0	109.6	L223 L231 E902 K904 A917 E918	L223-L915 HydrophobicContact CD2-CB 3.5Å; L223-L915 VanDerWaalsContact CD2-CB 3.5Å; L223-L915 HydrophobicContact CD2-CD1 3.9Å; L223-L915 HydrophobicContact CD2-CD2 3.22Å; L223-L915 HydrophobicContact CD2-CG 3.67Å; L223-L915 HydrophobicContact CG-CB 4.1Å; L231-L915 HydrophobicContact CD1-CD2 4.36Å; E902-L915 HydrophobicContact CB-CD1 4.15Å; K904-L915 HydrophobicContact CG-CD1 4.3Å; L915-A917 WeakPolarHBondContact CD1-O 3.35Å; L915-E918 HydrophobicContact CD1-CG 4.45Å; L915-E918 HydrophobicContact CD2-CG 3.6Å; L915-E918 HydrophobicContact CG-CG 4.49Å
916	F	67.2	Low	72	Confident	1 Å²	1	42.2 Å²	42.2	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-51.8	173.7	-172.7	-95.8	0	0	0	110.6	A259 V903 W905 C933 I935 M945 L947	A259-F916 HydrophobicContact CB-CD1 4.43Å; A259-F916 HydrophobicContact CB-CD2 4.04Å; A259-F916 HydrophobicContact CB-CE1 3.88Å; A259-F916 HydrophobicContact CB-CE2 3.44Å; A259-F916 VanDerWaalsContact CB-CE2 3.44Å; A259-F916 HydrophobicContact CB-CG 4.49Å; A259-F916 HydrophobicContact CB-CZ 3.33Å; V903-F916 HydrophobicContact CB-CB 4.35Å; V903-F916 HydrophobicContact CB-CD1 4.42Å; V903-F916 HydrophobicContact CG1-CB 3.99Å; V903-F916 HydrophobicContact CG1-CD1 3.92Å; V903-F916 HydrophobicContact CG1-CG 4.32Å; V903-F916 WeakPolarHBondContact O-CA 3.4Å; V903-F916 WeakPolarHBondContact O-CB 3.43Å; V903-F916 PolarHBondContact O-N 2.85Å; W905-F916 HydrophobicContact CB-CB 4.41Å; W905-F916 HydrophobicContact CB-CD2 4.43Å; W905-F916 AromaticContact CD1-CD2 3.98Å; W905-F916 HydrophobicContact CG-CD2 4.34Å; F916-C933 HydrophobicContact CE1-CB 3.94Å; F916-C933 WeakPolarHBondContact CE1-SG 3.15Å; F916-C933 HydrophobicContact CZ-CB 3.64Å; F916-I935 HydrophobicContact CD1-CD1 3.66Å; F916-I935 HydrophobicContact CE1-CD1 3.73Å; F916-M945 HydrophobicContact CD1-SD 4.23Å; F916-M945 HydrophobicContact CE1-CE 4.42Å; F916-M945 HydrophobicContact CE1-SD 3.78Å; F916-M945 HydrophobicContact CZ-SD 4.49Å; F916-L947 HydrophobicContact CE2-CD2 3.89Å; F916-L947 HydrophobicContact CZ-CD2 3.74Å
917	A	61.9	Low	71.9	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	156.3	177.5	0	0	0	0	0	110.7	V903 L915 I935 M945	V903-A917 HydrophobicContact CB-CB 4.03Å; V903-A917 HydrophobicContact CG2-CB 4.33Å; V903-A917 PolarHBondContact N-O 3.46Å; V903-A917 PolarHBondContact O-N 2.83Å; V903-A917 VanDerWaalsContact O-O 3.12Å; L915-A917 WeakPolarHBondContact CD1-O 3.35Å; A917-I935 HydrophobicContact CB-CD1 3.48Å; A917-I935 VanDerWaalsContact CB-CD1 3.48Å; A917-M945 HydrophobicContact CB-CE 3.77Å; A917-M945 HydrophobicContact CB-SD 3.74Å
918	E	60.3	Low	71.5	Confident	20 Å²	20	44.2 Å²	44.2	9%	0.093	21%	0.209	C	C	.	.			trans	-101.3	-17.8	-177.1	-62.9	176.4	140.5	0	0	113	Y211 R228 L915	Y211-E918 WeakPolarHBondContact CD1-OE1 3.26Å; Y211-E918 WeakPolarHBondContact CD1-OE2 3.48Å; Y211-E918 VanDerWaalsContact CE1-CD 3.46Å; Y211-E918 WeakPolarHBondContact CE1-OE2 3.34Å; Y211-E918 PolarHBondContact OH-OE2 3.07Å; Y211-E918 VanDerWaalsContact OH-OE2 3.09Å; R228-E918 IonicContact CZ-OE1 2.62Å; R228-E918 IonicContact NE-OE1 2.78Å; R228-E918 PolarHBondContact NE-OE1 2.83Å; R228-E918 IonicContact NH2-OE1 3.98Å; R228-E918 PolarHBondContact NH2-OE1 2.91Å; L915-E918 HydrophobicContact CD1-CG 4.45Å; L915-E918 HydrophobicContact CD2-CG 3.6Å; L915-E918 HydrophobicContact CG-CG 4.49Å
919	E	62.3	Low	71.1	Confident	27 Å²	27	48.6 Å²	48.6	13%	0.126	23%	0.233	C	C	.	.	S	Bend	trans	-68.5	142.2	173.8	-66.3	111.2	-175	0	0	109.8	Y261 A921 H943	Y261-E919 VanDerWaalsContact CE1-OE2 3.28Å; Y261-E919 WeakPolarHBondContact CE1-OE2 3.45Å; Y261-E919 PolarHBondContact OH-OE2 3.42Å; E919-A921 PolarHBondContact O-N 2.78Å; E919-H943 WeakPolarHBondContact CG-NE2 3.39Å; E919-H943 IonicContact OE1-CD2 2.87Å; E919-H943 IonicContact OE1-CE1 3.99Å; E919-H943 PolarHBondContact OE1-CE1 3.21Å; E919-H943 IonicContact OE1-CG 3.6Å; E919-H943 IonicContact OE1-ND1 2.67Å; E919-H943 PolarHBondContact OE1-ND1 2.67Å; E919-H943 IonicContact OE1-NE2 2.69Å; E919-H943 PolarHBondContact OE1-NE2 2.78Å; E919-H943 WeakPolarHBondContact OE2-CB 3.38Å; E919-H943 IonicContact OE2-CD2 3.51Å; E919-H943 PolarHBondContact OE2-CD2 3.21Å; E919-H943 IonicContact OE2-CE1 3.12Å; E919-H943 PolarHBondContact OE2-CE1 2.82Å; E919-H943 IonicContact OE2-CG 2.65Å; E919-H943 IonicContact OE2-ND1 3.72Å; E919-H943 PolarHBondContact OE2-ND1 2.93Å; E919-H943 VanDerWaalsContact OE2-ND1 3.1Å; E919-H943 IonicContact OE2-NE2 2.8Å
920	S	64.5	Low	71	Confident	12 Å²	12	47 Å²	47	8%	0.084	22%	0.216	C	C	.	.			trans	-72.6	99.5	178.1	53.4	0	0	0	0	108.4	Y584 S901 D937	Y584-S920 WeakPolarHBondContact CD2-OG 3.46Å; Y584-S920 WeakPolarHBondContact CE2-OG 3.46Å; Y584-S920 VanDerWaalsContact CZ-CB 3.47Å; Y584-S920 PolarHBondContact OH-O 2.88Å; S901-S920 WeakPolarHBondContact O-CA 3.39Å; S920-D937 WeakPolarHBondContact O-CA 3.28Å; S920-D937 WeakPolarHBondContact O-CB 3.49Å
921	A	69.7	Low	71	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.206	C	C	.	.			trans	-82.3	122.3	-177.6	0	0	0	0	0	110	L899 V903 E919 I935	L899-A921 HydrophobicContact CB-CB 4.38Å; L899-A921 HydrophobicContact CD1-CB 4.44Å; L899-A921 HydrophobicContact CD2-CB 3.79Å; L899-A921 HydrophobicContact CG-CB 4.42Å; V903-A921 HydrophobicContact CG2-CB 3.27Å; E919-A921 PolarHBondContact O-N 2.78Å; A921-I935 HydrophobicContact CB-CB 4.45Å; A921-I935 HydrophobicContact CB-CG1 4.5Å; A921-I935 HydrophobicContact CB-CG2 3.32Å
922	N	75	Confident	71	Confident	70 Å²	70	37.9 Å²	37.9	37%	0.374	18%	0.179	S	C	.	.	S	Bend	trans	-86.9	-32.1	163.3	-166.7	24.4	0	0	0	111	A936	N922-A936 PolarHBondContact N-O 2.7Å
923	R	76.3	Confident	71.5	Confident	120 Å²	120	31.6 Å²	31.6	45%	0.453	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	148.5	179.3	-61.1	-179.4	-177.5	177.5	0.5	110.7	F925 A936	R923-F925 HydrophobicContact CB-CE2 3.98Å; R923-F925 HydrophobicContact CB-CZ 4.42Å; R923-A936 HydrophobicContact CB-CB 4.44Å; R923-A936 PolarHBondContact N-O 2.79Å; R923-A936 PolarHBondContact O-N 2.84Å
924	I	81.9	Confident	71.7	Confident	25 Å²	25	29.5 Å²	29.5	13%	0.128	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.2	172	-164.4	170.3	0	0	0	109.7	A889 V897 L899 V903 L926 L934 I935	A889-I924 HydrophobicContact CB-CG2 3.57Å; V897-I924 HydrophobicContact CB-CD1 4.03Å; V897-I924 HydrophobicContact CG1-CD1 3.34Å; V897-I924 HydrophobicContact CG2-CD1 4.43Å; L899-I924 HydrophobicContact CD1-CB 3.8Å; L899-I924 HydrophobicContact CD1-CG2 3.67Å; L899-I924 HydrophobicContact CD2-CB 3.73Å; L899-I924 HydrophobicContact CD2-CD1 3.9Å; L899-I924 HydrophobicContact CD2-CG1 4.36Å; L899-I924 HydrophobicContact CD2-CG2 3.97Å; L899-I924 HydrophobicContact CG-CB 4.3Å; L899-I924 HydrophobicContact CG-CG2 4.14Å; V903-I924 HydrophobicContact CG1-CD1 4.28Å; I924-L926 HydrophobicContact CD1-CD2 3.92Å; I924-L926 HydrophobicContact CD1-CG 4.24Å; I924-L926 HydrophobicContact CG1-CD2 4.2Å; I924-L926 HydrophobicContact CG1-CG 4.21Å; I924-L934 CarbonylContact C-O 3.56Å; I924-L934 WeakPolarHBondContact CA-O 3.2Å; I924-I935 HydrophobicContact CD1-CD1 4.41Å; I924-I935 HydrophobicContact CD1-CG1 4.14Å; I924-I935 HydrophobicContact CG1-CG1 3.92Å
925	F	80.4	Confident	72.2	Confident	37 Å²	37	28.7 Å²	28.7	16%	0.162	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.6	174.4	-56.7	-92.8	0	0	0	107.5	I629 R923 Y927 C933 L934	I629-F925 HydrophobicContact CB-CD1 4.34Å; I629-F925 HydrophobicContact CB-CG 4.46Å; I629-F925 HydrophobicContact CD1-CB 4.46Å; I629-F925 HydrophobicContact CD1-CD2 3.72Å; I629-F925 HydrophobicContact CD1-CE2 4.02Å; I629-F925 HydrophobicContact CD1-CG 4.05Å; I629-F925 HydrophobicContact CG1-CD2 4.35Å; I629-F925 HydrophobicContact CG1-CE2 4.34Å; I629-F925 HydrophobicContact CG1-CG 4.48Å; I629-F925 HydrophobicContact CG1-CZ 4.47Å; R923-F925 HydrophobicContact CB-CE2 3.98Å; R923-F925 HydrophobicContact CB-CZ 4.42Å; F925-Y927 HydrophobicContact CB-CD2 4.46Å; F925-Y927 HydrophobicContact CB-CE2 3.65Å; F925-C933 CarbonylContact O-C 3.47Å; F925-C933 WeakPolarHBondContact O-CA 3.16Å; F925-L934 HydrophobicContact CB-CB 4.44Å; F925-L934 HydrophobicContact CD2-CD2 3.89Å; F925-L934 HydrophobicContact CE2-CD2 4.35Å; F925-L934 PolarHBondContact N-O 2.85Å; F925-L934 PolarHBondContact O-N 3.44Å
926	L	77.9	Confident	72.8	Confident	37 Å²	37	28.4 Å²	28.4	19%	0.194	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.8	-176.9	-65.3	168.2	0	0	0	108.9	A889 V897 I924 C933 L947	A889-L926 HydrophobicContact CB-CD1 3.6Å; V897-L926 HydrophobicContact CG2-CD1 4.13Å; V897-L926 HydrophobicContact CG2-CD2 4.38Å; I924-L926 HydrophobicContact CD1-CD2 3.92Å; I924-L926 HydrophobicContact CD1-CG 4.24Å; I924-L926 HydrophobicContact CG1-CD2 4.2Å; I924-L926 HydrophobicContact CG1-CG 4.21Å; L926-C933 HydrophobicContact CD2-CB 3.97Å; L926-L947 HydrophobicContact CD2-CD1 4.36Å; L926-L947 HydrophobicContact CD2-CD2 4.02Å
927	Y	76.9	Confident	73	Confident	22 Å²	22	28.5 Å²	28.5	9%	0.086	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	82.5	-179	-58.8	-69.6	0	0	0	109.4	I629 E631 I636 F925 N929 H930 G931 I932	I629-Y927 WeakPolarHBondContact CB-OH 3.3Å; I629-Y927 HydrophobicContact CG2-CE2 3.76Å; I629-Y927 WeakPolarHBondContact CG2-OH 3.14Å; I629-Y927 PolarHBondContact O-OH 2.8Å; E631-Y927 HydrophobicContact CB-CD1 3.58Å; E631-Y927 HydrophobicContact CB-CE1 3.63Å; E631-Y927 HydrophobicContact CG-CD1 4.25Å; E631-Y927 WeakPolarHBondContact OE2-CD1 3.28Å; I636-Y927 HydrophobicContact CD1-CD2 3.57Å; I636-Y927 HydrophobicContact CD1-CE2 4.36Å; I636-Y927 HydrophobicContact CD1-CG 3.73Å; I636-Y927 HydrophobicContact CG1-CD2 4.22Å; I636-Y927 HydrophobicContact CG1-CG 4.2Å; I636-Y927 HydrophobicContact CG2-CD2 4.1Å; I636-Y927 HydrophobicContact CG2-CE2 3.8Å; F925-Y927 HydrophobicContact CB-CD2 4.46Å; F925-Y927 HydrophobicContact CB-CE2 3.65Å; Y927-N929 PolarHBondContact O-N 3.42Å; Y927-H930 PolarHBondContact O-N 3.07Å; Y927-G931 PolarHBondContact O-N 2.85Å; Y927-I932 WeakPolarHBondContact CA-O 3.44Å; Y927-I932 PolarHBondContact N-O 2.86Å; Y927-I932 PolarHBondContact O-N 2.87Å
928	E	68	Low	73.4	Confident	42 Å²	42	33.3 Å²	33.3	20%	0.196	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-65.3	-35.7	-172.1	-73.6	-174.5	-136.7	0	0	113.8	C891 Q892 S893 H930 G931 L947 W950	C891-E928 WeakPolarHBondContact CA-OE1 3.5Å; C891-E928 WeakPolarHBondContact CB-OE1 3.47Å; Q892-E928 WeakPolarHBondContact CB-OE2 3.49Å; Q892-E928 VanDerWaalsContact N-CD 3.33Å; Q892-E928 PolarHBondContact N-OE1 2.93Å; Q892-E928 PolarHBondContact N-OE2 2.79Å; S893-E928 PolarHBondContact N-OE2 3.43Å; S893-E928 PolarHBondContact OG-OE2 3Å; E928-H930 PolarHBondContact O-N 3.27Å; E928-G931 PolarHBondContact O-N 2.9Å; E928-G931 VanDerWaalsContact O-N 3.08Å; E928-L947 HydrophobicContact CG-CD1 4.1Å; E928-W950 HydrophobicContact CG-CE3 4.35Å; E928-W950 HydrophobicContact CG-CZ3 3.71Å
929	N	70.3	Confident	73.8	Confident	114 Å²	114	35.3 Å²	35.3	61%	0.61	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-62.2	-31.3	179	-62.5	-33.5	0	0	0	112.2	E631 Y927	E631-N929 WeakPolarHBondContact OE1-CB 3.15Å; E631-N929 PolarHBondContact OE1-ND2 3.13Å; Y927-N929 PolarHBondContact O-N 3.42Å
930	H	70.1	Confident	74.3	Confident	49 Å²	49	35.1 Å²	35.1	23%	0.227	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-96.7	-5.8	177.7	-68.2	-55	0	0	0	113.6	E631 I636 R653 Y927 E928 I932	E631-H930 IonicContact OE1-CD2 4Å; E631-H930 PolarHBondContact OE1-CD2 3.16Å; E631-H930 IonicContact OE1-NE2 3.69Å; E631-H930 PolarHBondContact OE1-NE2 2.89Å; I636-H930 HydrophobicContact CD1-CB 3.98Å; I636-H930 HydrophobicContact CG1-CB 4.42Å; R653-H930 PolarHBondContact NH2-O 3.4Å; Y927-H930 PolarHBondContact O-N 3.07Å; E928-H930 PolarHBondContact O-N 3.27Å; H930-I932 VanDerWaalsContact C-N 3.34Å; H930-I932 HydrophobicContact CB-CD1 4.25Å; H930-I932 HydrophobicContact CB-CG1 4.43Å
931	G	71.6	Confident	74.7	Confident	17 Å²	17	34.8 Å²	34.8	18%	0.175	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	43.3	-173.1	0	0	0	0	0	111.8	Y927 E928 E946 L947	Y927-G931 PolarHBondContact O-N 2.85Å; E928-G931 PolarHBondContact O-N 2.9Å; E928-G931 VanDerWaalsContact O-N 3.08Å; G931-E946 CarbonylContact O-C 3.6Å; G931-E946 WeakPolarHBondContact O-CA 3.42Å; G931-E946 WeakPolarHBondContact O-CG 3.44Å; G931-L947 PolarHBondContact O-N 2.81Å
932	I	76.4	Confident	75	Confident	4 Å²	4	35 Å²	35	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.2	-178.4	-67.6	169	0	0	0	110.6	L262 I636 I652 R653 Y927 H930 V944 M945 L947	L262-I932 HydrophobicContact CD1-CG1 4.44Å; I636-I932 HydrophobicContact CD1-CB 3.6Å; I636-I932 HydrophobicContact CD1-CD1 3.67Å; I636-I932 HydrophobicContact CD1-CG1 4.18Å; I636-I932 HydrophobicContact CD1-CG2 3.74Å; I652-I932 HydrophobicContact CG2-CD1 4.44Å; I652-I932 HydrophobicContact CG2-CG2 4.47Å; R653-I932 HydrophobicContact CG-CD1 4.34Å; Y927-I932 WeakPolarHBondContact CA-O 3.44Å; Y927-I932 PolarHBondContact N-O 2.86Å; Y927-I932 PolarHBondContact O-N 2.87Å; H930-I932 VanDerWaalsContact C-N 3.34Å; H930-I932 HydrophobicContact CB-CD1 4.25Å; H930-I932 HydrophobicContact CB-CG1 4.43Å; I932-V944 HydrophobicContact CG2-CG1 3.91Å; I932-M945 CarbonylContact C-O 3.59Å; I932-M945 WeakPolarHBondContact CA-O 3.21Å; I932-L947 WeakPolarHBondContact O-CD1 3.42Å
933	C	78.7	Confident	75.1	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.2	169	175.4	0	0	0	0	108.7	F916 F925 L926 M945 L947	F916-C933 HydrophobicContact CE1-CB 3.94Å; F916-C933 WeakPolarHBondContact CE1-SG 3.15Å; F916-C933 HydrophobicContact CZ-CB 3.64Å; F925-C933 CarbonylContact O-C 3.47Å; F925-C933 WeakPolarHBondContact O-CA 3.16Å; L926-C933 HydrophobicContact CD2-CB 3.97Å; C933-M945 HydrophobicContact CB-CB 4.46Å; C933-M945 PolarHBondContact N-O 2.99Å; C933-M945 PolarHBondContact O-N 3.06Å; C933-M945 VanDerWaalsContact O-O 3.13Å; C933-L947 HydrophobicContact CB-CD2 3.52Å; C933-L947 HydrophobicContact CB-CG 3.83Å
934	L	79.4	Confident	75.1	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.3	168.4	-173.3	149.5	0	0	0	109.7	L627 I629 L638 I652 I924 F925 A936 Y942 H943 V944	L627-L934 HydrophobicContact CD2-CD2 4.3Å; I629-L934 HydrophobicContact CD1-CB 3.86Å; I629-L934 HydrophobicContact CD1-CD1 3.24Å; I629-L934 HydrophobicContact CD1-CD2 3.27Å; I629-L934 HydrophobicContact CD1-CG 3.58Å; L638-L934 HydrophobicContact CD1-CD1 3.83Å; I652-L934 HydrophobicContact CD1-CD1 4.13Å; I924-L934 CarbonylContact C-O 3.56Å; I924-L934 WeakPolarHBondContact CA-O 3.2Å; F925-L934 HydrophobicContact CB-CB 4.44Å; F925-L934 HydrophobicContact CD2-CD2 3.89Å; F925-L934 HydrophobicContact CE2-CD2 4.35Å; F925-L934 PolarHBondContact N-O 2.85Å; F925-L934 PolarHBondContact O-N 3.44Å; L934-A936 HydrophobicContact CD2-CB 4.19Å; L934-Y942 HydrophobicContact CD1-CD2 3.69Å; L934-Y942 HydrophobicContact CD1-CE2 4.45Å; L934-Y942 HydrophobicContact CD1-CG 4.19Å; L934-Y942 HydrophobicContact CG-CD2 4.36Å; L934-H943 WeakPolarHBondContact CA-O 3.35Å; L934-V944 HydrophobicContact CD1-CG2 3.79Å; L934-V944 HydrophobicContact CG-CG2 4.46Å
935	I	80.1	Confident	74.7	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.8	173.9	-75.4	167.1	0	0	0	108.3	V903 F916 A917 A921 I924 Y942 H943 M945	V903-I935 HydrophobicContact CB-CD1 3.88Å; V903-I935 HydrophobicContact CG1-CD1 3.95Å; V903-I935 HydrophobicContact CG2-CD1 3.6Å; V903-I935 HydrophobicContact CG2-CG1 4.28Å; V903-I935 HydrophobicContact CG2-CG2 4.35Å; F916-I935 HydrophobicContact CD1-CD1 3.66Å; F916-I935 HydrophobicContact CE1-CD1 3.73Å; A917-I935 HydrophobicContact CB-CD1 3.48Å; A917-I935 VanDerWaalsContact CB-CD1 3.48Å; A921-I935 HydrophobicContact CB-CB 4.45Å; A921-I935 HydrophobicContact CB-CG1 4.5Å; A921-I935 HydrophobicContact CB-CG2 3.32Å; I924-I935 HydrophobicContact CD1-CD1 4.41Å; I924-I935 HydrophobicContact CD1-CG1 4.14Å; I924-I935 HydrophobicContact CG1-CG1 3.92Å; I935-Y942 CarbonylContact O-C 3.56Å; I935-Y942 WeakPolarHBondContact O-CA 3.16Å; I935-H943 PolarHBondContact N-O 3.21Å; I935-H943 PolarHBondContact O-N 3.15Å; I935-M945 HydrophobicContact CB-CE 3.79Å; I935-M945 HydrophobicContact CD1-CE 3.35Å; I935-M945 HydrophobicContact CD1-SD 4.24Å; I935-M945 HydrophobicContact CG1-CE 3.87Å
936	A	79.1	Confident	74.4	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133	175.4	0	0	0	0	0	110.4	L627 N922 R923 L934 N941	L627-A936 HydrophobicContact CD2-CB 3.71Å; N922-A936 PolarHBondContact N-O 2.7Å; R923-A936 HydrophobicContact CB-CB 4.44Å; R923-A936 PolarHBondContact N-O 2.79Å; R923-A936 PolarHBondContact O-N 2.84Å; L934-A936 HydrophobicContact CD2-CB 4.19Å; A936-N941 CarbonylContact C-O 3.6Å; A936-N941 VanDerWaalsContact CA-O 3.28Å; A936-N941 WeakPolarHBondContact CA-O 3.36Å
937	D	72.7	Confident	74	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.011	12%	0.12	C	C	.	.			trans	-79.8	-179.4	178.5	79.9	1	0	0	0	112.5	S920 Y939 N940 N941	S920-D937 WeakPolarHBondContact O-CA 3.28Å; S920-D937 WeakPolarHBondContact O-CB 3.49Å; D937-Y939 PolarHBondContact O-N 3.49Å; D937-Y939 VanDerWaalsContact OD1-CA 3.26Å; D937-Y939 WeakPolarHBondContact OD1-CA 3.45Å; D937-Y939 PolarHBondContact OD1-N 2.83Å; D937-N940 PolarHBondContact O-N 3.35Å; D937-N940 VanDerWaalsContact O-N 3.14Å; D937-N940 PolarHBondContact OD1-N 3.44Å; D937-N941 PolarHBondContact N-O 2.83Å; D937-N941 WeakPolarHBondContact OD1-CB 3.23Å; D937-N941 PolarHBondContact OD1-N 2.88Å; D937-N941 PolarHBondContact OD1-ND2 2.78Å; D937-N941 WeakPolarHBondContact OD2-CB 3.33Å; D937-N941 PolarHBondContact OD2-ND2 2.9Å
938	K	70.4	Confident	73.4	Confident	102 Å²	102	24.3 Å²	24.3	44%	0.443	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.5	177.2	-176.3	-177.7	173.1	-166.9	0	113.6	Y584	Y584-K938 HydrophobicContact CE2-CB 4.43Å
939	Y	67.4	Low	73	Confident	61 Å²	61	28.7 Å²	28.7	24%	0.239	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	14.5	-177.9	-56.3	-90	0	0	0	111.8	D562 T582 D937 N941	D562-Y939 PolarHBondContact O-OH 3.27Å; D562-Y939 PolarHBondContact OD2-OH 2.88Å; T582-Y939 HydrophobicContact CG2-CD1 4.17Å; T582-Y939 HydrophobicContact CG2-CD2 3.65Å; T582-Y939 HydrophobicContact CG2-CE1 3.81Å; T582-Y939 HydrophobicContact CG2-CE2 3.3Å; T582-Y939 HydrophobicContact CG2-CG 4.08Å; T582-Y939 WeakPolarHBondContact OG1-CD2 3.39Å; T582-Y939 WeakPolarHBondContact OG1-CE2 3.2Å; D937-Y939 PolarHBondContact O-N 3.49Å; D937-Y939 VanDerWaalsContact OD1-CA 3.26Å; D937-Y939 WeakPolarHBondContact OD1-CA 3.45Å; D937-Y939 PolarHBondContact OD1-N 2.83Å; Y939-N941 PolarHBondContact O-N 3.05Å; Y939-N941 VanDerWaalsContact O-N 3.15Å
940	N	72.6	Confident	72.4	Confident	24 Å²	24	23.9 Å²	23.9	13%	0.128	12%	0.119	C	C	.	.			trans	56.4	21.1	-176.8	-57.1	-52.4	0	0	0	115	I624 K625 L627 D937	I624-N940 HydrophobicContact CB-CB 4.23Å; I624-N940 HydrophobicContact CG2-CB 3.95Å; K625-N940 PolarHBondContact O-ND2 2.66Å; L627-N940 HydrophobicContact CB-CB 3.95Å; D937-N940 PolarHBondContact O-N 3.35Å; D937-N940 VanDerWaalsContact O-N 3.14Å; D937-N940 PolarHBondContact OD1-N 3.44Å
941	N	73.6	Confident	71.4	Confident	5 Å²	5	29.4 Å²	29.4	3%	0.027	14%	0.142	C	C	.	.			trans	-65.1	138.2	158.7	-57.2	-61.2	0	0	0	107.3	C265 A266 A267 Y268 A936 D937 Y939	C265-N941 VanDerWaalsContact O-CA 3.29Å; C265-N941 WeakPolarHBondContact O-CA 3.43Å; C265-N941 VanDerWaalsContact O-CB 3.23Å; C265-N941 WeakPolarHBondContact O-CB 3.38Å; A266-N941 HydrophobicContact CB-CB 4.44Å; A267-N941 PolarHBondContact N-OD1 3.13Å; Y268-N941 WeakPolarHBondContact CD1-ND2 3.33Å; Y268-N941 HydrophobicContact CE1-CB 4.32Å; Y268-N941 WeakPolarHBondContact CE1-ND2 3.07Å; A936-N941 CarbonylContact C-O 3.6Å; A936-N941 VanDerWaalsContact CA-O 3.28Å; A936-N941 WeakPolarHBondContact CA-O 3.36Å; D937-N941 PolarHBondContact N-O 2.83Å; D937-N941 WeakPolarHBondContact OD1-CB 3.23Å; D937-N941 PolarHBondContact OD1-N 2.88Å; D937-N941 PolarHBondContact OD1-ND2 2.78Å; D937-N941 WeakPolarHBondContact OD2-CB 3.33Å; D937-N941 PolarHBondContact OD2-ND2 2.9Å; Y939-N941 PolarHBondContact O-N 3.05Å; Y939-N941 VanDerWaalsContact O-N 3.15Å
942	Y	77	Confident	70	Confident	4 Å²	4	31.4 Å²	31.4	2%	0.016	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	151.2	-173.3	68.9	-92	0	0	0	112.7	R263 C265 I624 L627 L638 L934 I935 V944	R263-Y942 PolarHBondContact NH2-OH 3.01Å; C265-Y942 HydrophobicContact CB-CD1 4.13Å; C265-Y942 HydrophobicContact CB-CE1 3.65Å; C265-Y942 HydrophobicContact CB-CE2 4.21Å; C265-Y942 PolarHBondContact N-O 3.43Å; C265-Y942 PolarHBondContact O-N 3.13Å; I624-Y942 HydrophobicContact CD1-CD1 3.75Å; I624-Y942 HydrophobicContact CD1-CE1 3.51Å; L627-Y942 HydrophobicContact CD1-CD1 3.84Å; L627-Y942 HydrophobicContact CD1-CE1 4.24Å; L627-Y942 HydrophobicContact CD2-CD1 4.16Å; L627-Y942 HydrophobicContact CD2-CG 4.24Å; L638-Y942 HydrophobicContact CD2-CD1 4.35Å; L638-Y942 HydrophobicContact CD2-CD2 4.35Å; L638-Y942 HydrophobicContact CD2-CE1 3.69Å; L638-Y942 HydrophobicContact CD2-CE2 3.7Å; L638-Y942 WeakPolarHBondContact CD2-OH 3.33Å; L934-Y942 HydrophobicContact CD1-CD2 3.69Å; L934-Y942 HydrophobicContact CD1-CE2 4.45Å; L934-Y942 HydrophobicContact CD1-CG 4.19Å; L934-Y942 HydrophobicContact CG-CD2 4.36Å; I935-Y942 CarbonylContact O-C 3.56Å; I935-Y942 WeakPolarHBondContact O-CA 3.16Å; Y942-V944 HydrophobicContact CD2-CG2 4.04Å; Y942-V944 HydrophobicContact CE2-CG2 4.06Å
943	H	75.6	Confident	68.3	Low	1 Å²	1	32.4 Å²	32.4	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	113.3	-177.7	-57	-95.2	0	0	0	108.1	Y261 R263 S264 E919 L934 I935 M945	Y261-H943 HydrophobicContact CD1-CB 4.12Å; Y261-H943 HydrophobicContact CE1-CB 3.68Å; Y261-H943 AromaticContact CE1-CG 3.98Å; Y261-H943 AromaticContact CE1-ND1 3.76Å; R263-H943 CarbonylContact O-C 3.48Å; R263-H943 WeakPolarHBondContact O-CA 3.28Å; S264-H943 VanDerWaalsContact CB-ND1 3.34Å; S264-H943 WeakPolarHBondContact CB-ND1 2.99Å; S264-H943 PolarHBondContact OG-CE1 2.77Å; S264-H943 PolarHBondContact OG-ND1 3.46Å; E919-H943 WeakPolarHBondContact CG-NE2 3.39Å; E919-H943 IonicContact OE1-CD2 2.87Å; E919-H943 IonicContact OE1-CE1 3.99Å; E919-H943 PolarHBondContact OE1-CE1 3.21Å; E919-H943 IonicContact OE1-CG 3.6Å; E919-H943 IonicContact OE1-ND1 2.67Å; E919-H943 PolarHBondContact OE1-ND1 2.67Å; E919-H943 IonicContact OE1-NE2 2.69Å; E919-H943 PolarHBondContact OE1-NE2 2.78Å; E919-H943 WeakPolarHBondContact OE2-CB 3.38Å; E919-H943 IonicContact OE2-CD2 3.51Å; E919-H943 PolarHBondContact OE2-CD2 3.21Å; E919-H943 IonicContact OE2-CE1 3.12Å; E919-H943 PolarHBondContact OE2-CE1 2.82Å; E919-H943 IonicContact OE2-CG 2.65Å; E919-H943 IonicContact OE2-ND1 3.72Å; E919-H943 PolarHBondContact OE2-ND1 2.93Å; E919-H943 VanDerWaalsContact OE2-ND1 3.1Å; E919-H943 IonicContact OE2-NE2 2.8Å; L934-H943 WeakPolarHBondContact CA-O 3.35Å; I935-H943 PolarHBondContact N-O 3.21Å; I935-H943 PolarHBondContact O-N 3.15Å; H943-M945 HydrophobicContact CB-CE 3.74Å
944	V	77	Confident	66.3	Low	1 Å²	1	36.6 Å²	36.6	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.1	173.8	-177.5	0	0	0	0	107.5	L262 R263 I652 I932 L934 Y942	L262-V944 HydrophobicContact CB-CB 4.31Å; L262-V944 HydrophobicContact CB-CG1 3.96Å; L262-V944 HydrophobicContact CD1-CG1 3.99Å; L262-V944 PolarHBondContact N-O 3.13Å; R263-V944 HydrophobicContact CB-CB 4.02Å; R263-V944 HydrophobicContact CB-CG2 4.11Å; R263-V944 PolarHBondContact N-O 3.32Å; R263-V944 PolarHBondContact O-N 2.88Å; I652-V944 HydrophobicContact CG2-CB 4.14Å; I652-V944 HydrophobicContact CG2-CG1 3.25Å; I652-V944 HydrophobicContact CG2-CG2 3.8Å; I932-V944 HydrophobicContact CG2-CG1 3.91Å; L934-V944 HydrophobicContact CD1-CG2 3.79Å; L934-V944 HydrophobicContact CG-CG2 4.46Å; Y942-V944 HydrophobicContact CD2-CG2 4.04Å; Y942-V944 HydrophobicContact CE2-CG2 4.06Å
945	M	74	Confident	64	Low	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	147.7	177.9	-77.5	165.9	-97.3	0	0	110.2	A259 T260 Y261 F916 A917 I932 C933 I935 H943	A259-M945 HydrophobicContact CB-CB 3.61Å; A259-M945 HydrophobicContact CB-CG 3.9Å; A259-M945 HydrophobicContact CB-SD 3.82Å; T260-M945 CarbonylContact O-C 3.57Å; T260-M945 WeakPolarHBondContact O-CA 3.41Å; Y261-M945 HydrophobicContact CD1-CG 4.03Å; Y261-M945 HydrophobicContact CD2-CG 4.46Å; Y261-M945 HydrophobicContact CE1-CE 4.05Å; Y261-M945 HydrophobicContact CE1-CG 4.27Å; Y261-M945 HydrophobicContact CE1-SD 4.16Å; Y261-M945 HydrophobicContact CE2-SD 4.34Å; Y261-M945 HydrophobicContact CG-CG 4.15Å; F916-M945 HydrophobicContact CD1-SD 4.23Å; F916-M945 HydrophobicContact CE1-CE 4.42Å; F916-M945 HydrophobicContact CE1-SD 3.78Å; F916-M945 HydrophobicContact CZ-SD 4.49Å; A917-M945 HydrophobicContact CB-CE 3.77Å; A917-M945 HydrophobicContact CB-SD 3.74Å; I932-M945 CarbonylContact C-O 3.59Å; I932-M945 WeakPolarHBondContact CA-O 3.21Å; C933-M945 HydrophobicContact CB-CB 4.46Å; C933-M945 PolarHBondContact N-O 2.99Å; C933-M945 PolarHBondContact O-N 3.06Å; C933-M945 VanDerWaalsContact O-O 3.13Å; I935-M945 HydrophobicContact CB-CE 3.79Å; I935-M945 HydrophobicContact CD1-CE 3.35Å; I935-M945 HydrophobicContact CD1-SD 4.24Å; I935-M945 HydrophobicContact CG1-CE 3.87Å; H943-M945 HydrophobicContact CB-CE 3.74Å
946	E	73.1	Confident	61.5	Low	61 Å²	61	47.8 Å²	47.8	29%	0.285	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	125.7	167.8	-157.5	169.9	130.8	0	0	108.7	R234 A259 T260 L262 G931	R234-E946 IonicContact CZ-OE1 3.88Å; R234-E946 IonicContact CZ-OE2 3.81Å; R234-E946 VanDerWaalsContact CZ-OE2 3.29Å; R234-E946 IonicContact NH1-OE1 2.52Å; R234-E946 IonicContact NH1-OE2 3.66Å; R234-E946 IonicContact NH2-OE1 2.77Å; R234-E946 PolarHBondContact NH2-OE1 2.98Å; R234-E946 IonicContact NH2-OE2 3.3Å; R234-E946 PolarHBondContact NH2-OE2 3.16Å; A259-E946 VanDerWaalsContact CA-O 3.24Å; A259-E946 WeakPolarHBondContact CA-O 3.28Å; A259-E946 WeakPolarHBondContact CB-O 3.22Å; T260-E946 PolarHBondContact N-O 3.36Å; T260-E946 PolarHBondContact O-N 3.01Å; T260-E946 WeakPolarHBondContact OG1-CB 3.49Å; L262-E946 HydrophobicContact CD1-CB 4.14Å; L262-E946 HydrophobicContact CD2-CB 4.5Å; L262-E946 HydrophobicContact CG-CB 4.26Å; G931-E946 CarbonylContact O-C 3.6Å; G931-E946 WeakPolarHBondContact O-CA 3.42Å; G931-E946 WeakPolarHBondContact O-CG 3.44Å
947	L	70.6	Confident	60.7	Low	9 Å²	9	50.2 Å²	50.2	5%	0.047	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-67.2	136.2	170.9	-74.7	174.9	0	0	0	109	F916 L926 E928 G931 I932 C933 W950	F916-L947 HydrophobicContact CE2-CD2 3.89Å; F916-L947 HydrophobicContact CZ-CD2 3.74Å; L926-L947 HydrophobicContact CD2-CD1 4.36Å; L926-L947 HydrophobicContact CD2-CD2 4.02Å; E928-L947 HydrophobicContact CG-CD1 4.1Å; G931-L947 PolarHBondContact O-N 2.81Å; I932-L947 WeakPolarHBondContact O-CD1 3.42Å; C933-L947 HydrophobicContact CB-CD2 3.52Å; C933-L947 HydrophobicContact CB-CG 3.83Å; L947-W950 HydrophobicContact CB-CH2 4.41Å; L947-W950 HydrophobicContact CB-CZ2 4.48Å; L947-W950 HydrophobicContact CD1-CH2 3.78Å; L947-W950 HydrophobicContact CD1-CZ3 4.02Å; L947-W950 HydrophobicContact CD2-CH2 3.32Å; L947-W950 HydrophobicContact CD2-CZ2 3.44Å; L947-W950 VanDerWaalsContact CD2-CZ2 3.44Å; L947-W950 HydrophobicContact CD2-CZ3 4.32Å; L947-W950 HydrophobicContact CG-CH2 4.02Å; L947-W950 HydrophobicContact CG-CZ2 4.37Å
948	P	63	Low	60	Low	15 Å²	15	52.7 Å²	52.7	10%	0.097	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-69.3	150.6	175.7	6.9	2.4	0	0	0	111.8	R256 T257 W950	R256-P948 WeakPolarHBondContact O-CB 3.43Å; T257-P948 VanDerWaalsContact CA-CB 3.42Å; T257-P948 VanDerWaalsContact CA-CG 3.41Å; T257-P948 VanDerWaalsContact O-CG 3.28Å; T257-P948 WeakPolarHBondContact O-CG 3.24Å; P948-W950 VanDerWaalsContact C-N 3.27Å; P948-W950 VanDerWaalsContact O-CD1 3.28Å; P948-W950 PolarHBondContact O-N 2.9Å
949	D	60.6	Low	59.5	Low	133 Å²	133	49.9 Å²	49.9	71%	0.711	28%	0.282	S	S	*	.			trans	-66.9	81.6	177.4	-93.6	-24.3	0	0	0	111.6	K951 T952	D949-K951 PolarHBondContact O-N 2.77Å; D949-T952 PolarHBondContact O-OG1 3.26Å; D949-T952 VanDerWaalsContact O-OG1 3.06Å
950	W	56.8	Low	59	Low	14 Å²	14	49.3 Å²	49.3	5%	0.053	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-66.9	-23.5	-178.1	-59.7	-36	0	0	0	113.4	C891 T895 E928 L947 P948 T952 A953	C891-W950 HydrophobicContact CB-CE3 4.03Å; C891-W950 HydrophobicContact CB-CH2 3.81Å; C891-W950 HydrophobicContact CB-CZ3 3.36Å; C891-W950 WeakPolarHBondContact SG-CH2 3.45Å; C891-W950 WeakPolarHBondContact SG-CZ3 3.48Å; T895-W950 HydrophobicContact CG2-CZ2 4.32Å; E928-W950 HydrophobicContact CG-CE3 4.35Å; E928-W950 HydrophobicContact CG-CZ3 3.71Å; L947-W950 HydrophobicContact CB-CH2 4.41Å; L947-W950 HydrophobicContact CB-CZ2 4.48Å; L947-W950 HydrophobicContact CD1-CH2 3.78Å; L947-W950 HydrophobicContact CD1-CZ3 4.02Å; L947-W950 HydrophobicContact CD2-CH2 3.32Å; L947-W950 HydrophobicContact CD2-CZ2 3.44Å; L947-W950 VanDerWaalsContact CD2-CZ2 3.44Å; L947-W950 HydrophobicContact CD2-CZ3 4.32Å; L947-W950 HydrophobicContact CG-CH2 4.02Å; L947-W950 HydrophobicContact CG-CZ2 4.37Å; P948-W950 VanDerWaalsContact C-N 3.27Å; P948-W950 VanDerWaalsContact O-CD1 3.28Å; P948-W950 PolarHBondContact O-N 2.9Å; W950-T952 PolarHBondContact O-N 3.45Å; W950-T952 VanDerWaalsContact O-N 3.16Å; W950-A953 WeakPolarHBondContact O-CB 3.26Å; W950-A953 PolarHBondContact O-N 3.38Å
951	K	49.2	Very low	58.1	Low	164 Å²	164	50.9 Å²	50.9	71%	0.713	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-59.4	-29.6	-177.8	-70.3	-176.9	179	174.5	0	112.9	D949 A953	D949-K951 PolarHBondContact O-N 2.77Å; K951-A953 VanDerWaalsContact C-N 3.34Å
952	T	42.2	Very low	57.1	Low	60 Å²	60	53.9 Å²	53.9	37%	0.368	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-74.4	-24.7	177.9	56.7	0	0	0	0	113.2	D949 W950 V954 S955	D949-T952 PolarHBondContact O-OG1 3.26Å; D949-T952 VanDerWaalsContact O-OG1 3.06Å; W950-T952 PolarHBondContact O-N 3.45Å; W950-T952 VanDerWaalsContact O-N 3.16Å; T952-V954 PolarHBondContact O-N 2.82Å; T952-S955 PolarHBondContact O-N 3.03Å; T952-S955 PolarHBondContact O-OG 3.31Å
953	A	42	Very low	55.7	Low	24 Å²	24	57.5 Å²	57.5	20%	0.198	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-72.4	-14.6	-177	0	0	0	0	0	114.1	W950 K951	W950-A953 WeakPolarHBondContact O-CB 3.26Å; W950-A953 PolarHBondContact O-N 3.38Å; K951-A953 VanDerWaalsContact C-N 3.34Å
954	V	36.8	Very low	54.2	Low	88 Å²	88	61.8 Å²	61.8	53%	0.533	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-92.1	-12.5	-179.9	-170.6	0	0	0	0	111.9	T952	T952-V954 PolarHBondContact O-N 2.82Å
955	S	30.9	Very low	52.3	Low	104 Å²	104	66.9 Å²	66.9	73%	0.727	39%	0.388	S	S	*	.			trans	-92.9	4.7	-174.5	66.2	0	0	0	0	115.8	T952	T952-S955 PolarHBondContact O-N 3.03Å; T952-S955 PolarHBondContact O-OG 3.31Å
956	S	27.8	Very low	50.3	Low	131 Å²	131	73 Å²	73	92%	0.916	42%	0.423	S	S	*	.			trans	-133	0	173.8	69.1	0	0	0	0	110.4	T253	T253-S956 WeakPolarHBondContact CG2-OG 3.37Å

Retrieved 956 of 956 residues in 808.1 ms (Link to these results)

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