A0A087WPT7_MOUSE Loading...

phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase

AlphaFold DB , UniProt , Accession A0A087WPT7, Species MOUSE (Mus musculus, Mouse), Gene Inppl1, Length 1,166 aa.

						>A0A087WPT7_MOUSE|A0A087WPT7|Inppl1
MASVCGTPSPGGALGSPAPAWYHRDLSRAAAEELLARAGRDGSFLVRDSESVAGAFALCVLYQKHVHTYRILPDGEDFLAVQTSQGVPVRRFQTLGELIGLYAQPNQGLVCALLLPVEGEREPDPPDDRDASDVEDEKPPLPPRSGSTSISAPVGPSSPLPTPETPTTPAAESTPNGLSTVSHEYLKGSYGLDLEAVRGGASNLPHLTRTLVTSCRRLHSEVDKVLSGLEILSKVFDQQSSPMVTRLLQQQSLPQTGEQELESLVLKLSVLKDFLSGIQKKALKALQDMSSTAPPAPLQPSIRKAKTIPVQAFEVKLDVTLGDLTKIGKSQKFTLSVDVEGGRLVLLRRQRDSQEDWTTFTHDRIRQLIKSQRVQNKLGVVFEKEKDRTQRKDFIFVSARKREAFCQLLQLMKNRHSKQDEPDMISVFIGTWNMGSVPPPKNVTSWFTSKGLGKALDEVTVTIPHDIYVFGTQENSVGDREWLDLLRGGLKELTDLDYRPIAMQSLWNIKVAVLVKPEHENRISHVSTSSVKTGIANTLGNKGAVGVSFMFNGTSFGFVNCHLTSGNEKTTRRNQNYLDILRLLSLGDRQLSAFDISLRFTHLFWFGDLNYRLDMDIQEILNYISRREFEPLLRVDQLNLEREKHKVFLRFSEEEISFPPTYRYERGSRDTYAWHKQKPTGVRTNVPSWCDRILWKSYPETHIICNSYGCTDDIVTSDHSPVFGTFEVGVTSQFISKKGLSKTSDQAYIEFESIEAIVKTASRTKFFIEFYSTCLEEYKKSFENDAQSSDNINFLKVQWSSRQLPTLKPILADIEYLQDQHLLLTVKSMDGYESYGECVVALKSMIGSTAQQFLTFLSHRGEETGNIRGSMKVRVPTERLGTRERLYEWISIDKDDTGAKSKVPSVSRGSQEHRSGSRKPASTETSCPLSKLFEEPEKPPPTGRPPAPPRAVPREEPLNPRLKSEGTSEQEGVAAPPPKNSFNNPAYYVLEGVPHQLLPLEPPSLARAPLPPATKNKVAITVPAPQLGRHRTPRVGEGSSSDEDSGGTLPPPDFPPPPLPDSAIFLPPNLDPLSMPVVRGRSGGEARGPPPPKAHPRPPLPPGTSPASTFLGEVASGDDRSCSVLQMAKTLSEVDYAPGPGRSALLPNPLELQPPRGPSDYGRPLS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32	Very low	30	Very low	238 Å²	238	123.7 Å²	123.7	100%	1.172	84%	0.843	S	S	*	*				0	123	0	-62.9	170.4	179.2	0	0	105.6
2	A	28.2	Very low	29.6	Very low	100 Å²	100	120.4 Å²	120.4	83%	0.826	85%	0.845	S	S	*	*			cis	67.1	130.9	44.6	0	0	0	0	0	111.6
3	S	29.1	Very low	29.4	Very low	111 Å²	111	118.6 Å²	118.6	78%	0.776	84%	0.842	S	S	*	*			cis	-166.8	-173.1	-8.4	-170.7	0	0	0	0	109.5
4	V	29.5	Very low	30.3	Very low	125 Å²	125	123.1 Å²	123.1	76%	0.758	85%	0.85	S	S	*	*			trans	72.9	104.7	160.9	-161.6	0	0	0	0	118.3
5	C	26.7	Very low	30.3	Very low	132 Å²	132	119.6 Å²	119.6	89%	0.892	84%	0.842	S	S	*	*				165.7	136.3	126	-94.1	0	0	0	0	109
6	G	25.8	Very low	30.7	Very low	70 Å²	70	118.9 Å²	118.9	72%	0.722	84%	0.837	S	S	*	*			cis	159.7	107.4	-3.4	0	0	0	0	0	109.8
7	T	27.7	Very low	31.8	Very low	135 Å²	135	119.1 Å²	119.1	83%	0.828	83%	0.834	S	S	*	*			trans	-75.2	132.3	-176.9	47.2	0	0	0	0	112.9
8	P	28.1	Very low	33.4	Very low	125 Å²	125	116.6 Å²	116.6	81%	0.812	82%	0.821	S	S	*	*			trans	-96.6	109.9	164	33.7	-27.2	0	0	0	111.6
9	S	28	Very low	35.5	Very low	107 Å²	107	113.6 Å²	113.6	75%	0.748	80%	0.799	S	S	*	*			trans	-150	152.1	169.1	-70.2	0	0	0	0	109.4
10	P	46.9	Very low	37.4	Very low	132 Å²	132	110.2 Å²	110.2	86%	0.857	78%	0.777	S	S	*	*			cis	-132	159.3	-36.5	38	-24.6	0	0	0	112.7
11	G	28.1	Very low	39.7	Very low	86 Å²	86	106.6 Å²	106.6	89%	0.887	75%	0.747	S	S	*	*			trans	142.6	142.7	162.4	0	0	0	0	0	115.1
12	G	25.5	Very low	42.5	Very low	84 Å²	84	97.6 Å²	97.6	87%	0.866	70%	0.7	S	S	*	*			trans	129.2	17.9	162.3	0	0	0	0	0	119.9
13	A	26.1	Very low	45.3	Very low	97 Å²	97	94 Å²	94	80%	0.802	67%	0.666	S	S	*	*			trans	-157.7	148.6	163.8	0	0	0	0	0	112.3	G15	A13-G15 PolarHBondContact O-N 2.96Å
14	L	43.3	Very low	47.8	Very low	181 Å²	181	96 Å²	96	95%	0.948	66%	0.657	S	S	*	*			trans	-73.7	100.5	163.9	-91.6	67	0	0	0	108.4
15	G	29.7	Very low	50.3	Low	71 Å²	71	97.1 Å²	97.1	73%	0.732	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-67.7	129.8	168.3	0	0	0	0	0	110.3	A13	A13-G15 PolarHBondContact O-N 2.96Å
16	S	36.1	Very low	53.1	Low	109 Å²	109	92.3 Å²	92.3	76%	0.762	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-60.8	148	175	31.1	0	0	0	0	111.4
17	P	50.5	Low	56	Low	121 Å²	121	91.5 Å²	91.5	79%	0.786	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-58.9	142	174.5	26	-34.3	0	0	0	110.1
18	A	60.1	Low	58.7	Low	74 Å²	74	91.4 Å²	91.4	61%	0.612	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-56.8	140.1	176.8	0	0	0	0	0	110.3	A20	A18-A20 PolarHBondContact O-N 2.96Å
19	P	73.4	Confident	61.5	Low	60 Å²	60	88.6 Å²	88.6	39%	0.39	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-58.8	139.6	-178.8	-24.3	34	0	0	0	112	W21 Y22	P19-W21 HydrophobicContact CB-CD2 3.89Å; P19-W21 HydrophobicContact CB-CE3 4.48Å; P19-W21 HydrophobicContact CB-CG 4.3Å; P19-W21 HydrophobicContact CB-CH2 4.2Å; P19-W21 HydrophobicContact CB-CZ2 3.58Å; P19-W21 HydrophobicContact CG-CH2 4.13Å; P19-W21 HydrophobicContact CG-CZ2 3.77Å; P19-W21 PolarHBondContact O-N 3.45Å; P19-Y22 PolarHBondContact O-N 3.28Å
20	A	74.3	Confident	64.2	Low	45 Å²	45	85.1 Å²	85.1	37%	0.372	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-50.3	-26.2	-178.9	0	0	0	0	0	115.2	A18 E118	A18-A20 PolarHBondContact O-N 2.96Å; A20-E118 HydrophobicContact CB-CG 3.76Å; A20-E118 WeakPolarHBondContact CB-OE1 3.45Å
21	W	85.1	Confident	66	Low	36 Å²	36	78.9 Å²	78.9	14%	0.136	52%	0.516	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-2	178.2	48.5	-100.7	0	0	0	114.9	P19 F44 L45 V46 L95 I99 P116	P19-W21 HydrophobicContact CB-CD2 3.89Å; P19-W21 HydrophobicContact CB-CE3 4.48Å; P19-W21 HydrophobicContact CB-CG 4.3Å; P19-W21 HydrophobicContact CB-CH2 4.2Å; P19-W21 HydrophobicContact CB-CZ2 3.58Å; P19-W21 HydrophobicContact CG-CH2 4.13Å; P19-W21 HydrophobicContact CG-CZ2 3.77Å; P19-W21 PolarHBondContact O-N 3.45Å; W21-F44 HydrophobicContact CB-CD2 4.3Å; W21-F44 HydrophobicContact CB-CE2 3.67Å; W21-F44 HydrophobicContact CB-CZ 4.21Å; W21-F44 HydrophobicContact CD2-CE2 4.37Å; W21-F44 AromaticContact CG-CE2 3.81Å; W21-F44 HydrophobicContact CG-CE2 3.81Å; W21-F44 HydrophobicContact CG-CZ 4.27Å; W21-L45 CarbonylContact O-C 3.58Å; W21-L45 WeakPolarHBondContact O-CA 3.27Å; W21-V46 HydrophobicContact CE3-CB 3.87Å; W21-V46 HydrophobicContact CE3-CG2 3.64Å; W21-V46 HydrophobicContact CZ3-CB 4Å; W21-V46 HydrophobicContact CZ3-CG2 3.8Å; W21-V46 PolarHBondContact O-N 3.27Å; W21-L95 HydrophobicContact CH2-CB 3.75Å; W21-L95 HydrophobicContact CZ3-CB 4.12Å; W21-I99 HydrophobicContact CD2-CG1 4.28Å; W21-I99 HydrophobicContact CE3-CG1 4.13Å; W21-I99 HydrophobicContact CH2-CG1 3.91Å; W21-I99 HydrophobicContact CZ2-CB 4.31Å; W21-I99 HydrophobicContact CZ2-CG1 4.03Å; W21-I99 HydrophobicContact CZ3-CG1 3.95Å; W21-P116 HydrophobicContact CB-CB 3.78Å; W21-P116 HydrophobicContact CG-CB 4.44Å
22	Y	89.8	Confident	69	Low	48 Å²	48	77.8 Å²	77.8	19%	0.188	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.1	-175	176.5	-119.6	0	0	0	112.6	P19 V46 D48 F56 L95	P19-Y22 PolarHBondContact O-N 3.28Å; Y22-V46 WeakPolarHBondContact CA-O 3.27Å; Y22-V46 HydrophobicContact CD2-CB 4.24Å; Y22-V46 HydrophobicContact CD2-CG1 4.14Å; Y22-D48 WeakPolarHBondContact CE2-OD1 3.19Å; Y22-D48 PolarHBondContact OH-OD1 3.11Å; Y22-F56 HydrophobicContact CE2-CD1 4.04Å; Y22-F56 HydrophobicContact CE2-CE1 4.1Å; Y22-L95 HydrophobicContact CE2-CD1 4.48Å
23	H	88.4	Confident	72	Confident	24 Å²	24	78.6 Å²	78.6	11%	0.111	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	95.3	-173.2	-59.1	-124.8	0	0	0	109.6	L26 V46 R47 V117 E118 G119	H23-L26 HydrophobicContact CB-CB 3.66Å; H23-L26 HydrophobicContact CB-CD2 3.76Å; H23-L26 HydrophobicContact CB-CG 4.32Å; H23-V46 PolarHBondContact N-O 2.87Å; H23-R47 WeakPolarHBondContact O-CA 3.48Å; H23-R47 VanDerWaalsContact O-CB 3.22Å; H23-R47 WeakPolarHBondContact O-CB 3.41Å; H23-V117 PolarHBondContact CE1-O 3.23Å; H23-V117 PolarHBondContact NE2-O 2.87Å; H23-E118 VanDerWaalsContact CE1-C 3.5Å; H23-G119 VanDerWaalsContact CE1-CA 3.49Å; H23-G119 WeakPolarHBondContact CE1-CA 3.4Å; H23-G119 PolarHBondContact CE1-N 3.44Å; H23-G119 VanDerWaalsContact CE1-N 3.28Å
24	R	81.4	Confident	74.9	Confident	154 Å²	154	75.2 Å²	75.2	58%	0.581	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-62.9	-173.7	-176.7	-180	-71	155.3	0.3	112.5	L26 D48	R24-L26 VanDerWaalsContact C-N 3.34Å; R24-L26 PolarHBondContact O-N 2.96Å; R24-D48 WeakPolarHBondContact O-CB 3.36Å; R24-D48 PolarHBondContact O-N 3.08Å
25	D	80.6	Confident	77.1	Confident	149 Å²	149	66.6 Å²	66.6	80%	0.797	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	23	-167.3	-52.1	-77.2	0	0	0	113.8
26	L	86.3	Confident	79.7	Confident	30 Å²	30	66.3 Å²	66.3	16%	0.157	38%	0.383	C	S	.	.			trans	-83.5	124.3	-176.6	-173.4	70.6	0	0	0	112	H23 R24 A30 A31 L34 L45 R47	H23-L26 HydrophobicContact CB-CB 3.66Å; H23-L26 HydrophobicContact CB-CD2 3.76Å; H23-L26 HydrophobicContact CB-CG 4.32Å; R24-L26 VanDerWaalsContact C-N 3.34Å; R24-L26 PolarHBondContact O-N 2.96Å; L26-A30 HydrophobicContact CD1-CB 3.52Å; L26-A30 HydrophobicContact CG-CB 4.28Å; L26-A31 HydrophobicContact CD2-CB 3.76Å; L26-A31 HydrophobicContact CG-CB 4.19Å; L26-L34 HydrophobicContact CD1-CD1 4.04Å; L26-L34 HydrophobicContact CD2-CD1 4.13Å; L26-L45 HydrophobicContact CD2-CD1 3.89Å; L26-L45 HydrophobicContact CD2-CD2 3.84Å; L26-R47 HydrophobicContact CB-CB 4.31Å; L26-R47 WeakPolarHBondContact O-CD 3.46Å; L26-R47 PolarHBondContact O-NH1 2.98Å
27	S	86.2	Confident	82.1	Confident	53 Å²	53	68.1 Å²	68.1	37%	0.371	37%	0.373	S	S	.	.			trans	-69.5	158.9	176.6	76.7	0	0	0	0	112.6	A29 A30 A31 E50	S27-A29 VanDerWaalsContact C-N 3.3Å; S27-A29 PolarHBondContact O-N 3.5Å; S27-A30 PolarHBondContact O-N 2.99Å; S27-A30 WeakPolarHBondContact OG-CB 3.45Å; S27-A30 PolarHBondContact OG-N 3.49Å; S27-A31 WeakPolarHBondContact O-CB 3.31Å; S27-A31 PolarHBondContact O-N 3.37Å; S27-E50 WeakPolarHBondContact CA-OE1 3.43Å
28	R	85.9	Confident	83.7	Confident	133 Å²	133	64 Å²	64	50%	0.502	35%	0.35	S	S	.	.	H	α-helix	trans	-53.8	-46.2	175.1	-175.5	178.4	170.4	156	6.3	112.6	A31 E32 E50	R28-A31 PolarHBondContact O-N 3.39Å; R28-E32 IonicContact CZ-OE1 3.75Å; R28-E32 IonicContact NE-OE1 2.75Å; R28-E32 PolarHBondContact NE-OE1 3.21Å; R28-E32 IonicContact NE-OE2 2.77Å; R28-E32 IonicContact NH2-OE1 2.75Å; R28-E32 PolarHBondContact NH2-OE1 3.34Å; R28-E32 WeakPolarHBondContact O-CG 3.22Å; R28-E32 PolarHBondContact O-N 2.88Å; R28-E50 PolarHBondContact N-OE1 2.8Å
29	A	85.1	Confident	84.9	Confident	67 Å²	67	63.1 Å²	63.1	55%	0.554	35%	0.348	S	S	*	.	H	α-helix	trans	-66.9	-42.9	-175.5	0	0	0	0	0	111.4	S27 E32 E33	S27-A29 VanDerWaalsContact C-N 3.3Å; S27-A29 PolarHBondContact O-N 3.5Å; A29-E32 PolarHBondContact O-N 3.36Å; A29-E33 PolarHBondContact O-N 2.96Å
30	A	85.4	Confident	85.6	Confident	34 Å²	34	67.8 Å²	67.8	28%	0.281	36%	0.358	S	S	.	.	H	α-helix	trans	-66	-37.5	176.3	0	0	0	0	0	112.1	L26 S27 E33 L34	L26-A30 HydrophobicContact CD1-CB 3.52Å; L26-A30 HydrophobicContact CG-CB 4.28Å; S27-A30 PolarHBondContact O-N 2.99Å; S27-A30 WeakPolarHBondContact OG-CB 3.45Å; S27-A30 PolarHBondContact OG-N 3.49Å; A30-E33 PolarHBondContact O-N 3.08Å; A30-L34 WeakPolarHBondContact O-CB 3.35Å; A30-L34 WeakPolarHBondContact O-CG 3.49Å; A30-L34 PolarHBondContact O-N 2.89Å
31	A	85.8	Confident	86.3	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.008	36%	0.358	C	S	.	.	H	α-helix	trans	-64.1	-42	172.9	0	0	0	0	0	113	L26 S27 R28 L35 L45	L26-A31 HydrophobicContact CD2-CB 3.76Å; L26-A31 HydrophobicContact CG-CB 4.19Å; S27-A31 WeakPolarHBondContact O-CB 3.31Å; S27-A31 PolarHBondContact O-N 3.37Å; R28-A31 PolarHBondContact O-N 3.39Å; A31-L35 WeakPolarHBondContact O-CB 3.41Å; A31-L35 WeakPolarHBondContact O-CD1 3.38Å; A31-L35 WeakPolarHBondContact O-CG 3.5Å; A31-L35 PolarHBondContact O-N 3.43Å; A31-L35 VanDerWaalsContact O-N 3.16Å; A31-L45 HydrophobicContact CB-CD1 4.01Å; A31-L45 HydrophobicContact CB-CD2 4.35Å
32	E	89.4	Confident	86.3	Confident	63 Å²	63	67.4 Å²	67.4	29%	0.294	35%	0.352	S	S	.	.	H	α-helix	trans	-66.3	-37.3	175.2	-74.2	176.7	178.7	0	0	111.6	R28 A29 A36 V66	R28-E32 IonicContact CZ-OE1 3.75Å; R28-E32 IonicContact NE-OE1 2.75Å; R28-E32 PolarHBondContact NE-OE1 3.21Å; R28-E32 IonicContact NE-OE2 2.77Å; R28-E32 IonicContact NH2-OE1 2.75Å; R28-E32 PolarHBondContact NH2-OE1 3.34Å; R28-E32 WeakPolarHBondContact O-CG 3.22Å; R28-E32 PolarHBondContact O-N 2.88Å; A29-E32 PolarHBondContact O-N 3.36Å; E32-A36 WeakPolarHBondContact O-CB 3.45Å; E32-A36 PolarHBondContact O-N 3.46Å; E32-V66 HydrophobicContact CG-CB 4.13Å; E32-V66 HydrophobicContact CG-CG1 4.02Å; E32-V66 HydrophobicContact CG-CG2 4.41Å
33	E	88.8	Confident	86.5	Confident	101 Å²	101	65.3 Å²	65.3	47%	0.472	34%	0.344	S	S	.	.	H	α-helix	trans	-69.9	-47.4	175.9	-166.4	-176.2	153.3	0	0	112.9	A29 A30 L35 A36 R37	A29-E33 PolarHBondContact O-N 2.96Å; A30-E33 PolarHBondContact O-N 3.08Å; E33-L35 VanDerWaalsContact C-N 3.29Å; E33-L35 PolarHBondContact O-N 3.16Å; E33-A36 CarbonylContact O-C 3.59Å; E33-A36 WeakPolarHBondContact O-CB 3.46Å; E33-A36 PolarHBondContact O-N 2.82Å; E33-A36 VanDerWaalsContact O-N 3.08Å; E33-R37 HydrophobicContact CG-CG 4.43Å; E33-R37 WeakPolarHBondContact O-CG 3.16Å; E33-R37 PolarHBondContact O-N 2.75Å; E33-R37 IonicContact OE1-CZ 3.15Å; E33-R37 VanDerWaalsContact OE1-CZ 3.25Å; E33-R37 IonicContact OE1-NE 3.74Å; E33-R37 PolarHBondContact OE1-NE 3.31Å; E33-R37 IonicContact OE1-NH2 2.68Å; E33-R37 PolarHBondContact OE1-NH2 2.97Å
34	L	87.9	Confident	86.8	Confident	25 Å²	25	64.6 Å²	64.6	13%	0.131	34%	0.341	C	S	.	.	H	α-helix	trans	-59.5	-40.4	177.9	-74.9	172.7	0	0	0	111.7	L26 A30 R37 A38 V117	L26-L34 HydrophobicContact CD1-CD1 4.04Å; L26-L34 HydrophobicContact CD2-CD1 4.13Å; A30-L34 WeakPolarHBondContact O-CB 3.35Å; A30-L34 WeakPolarHBondContact O-CG 3.49Å; A30-L34 PolarHBondContact O-N 2.89Å; L34-R37 PolarHBondContact O-N 3.28Å; L34-A38 WeakPolarHBondContact O-CB 3.37Å; L34-A38 PolarHBondContact O-N 2.95Å; L34-V117 HydrophobicContact CB-CG1 4.3Å
35	L	88.4	Confident	87.4	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-67.2	-39	173.8	-72.7	169.1	0	0	0	112.2	A31 E33 A38 G39 S43 L45 C59 L61 V66 V117	A31-L35 WeakPolarHBondContact O-CB 3.41Å; A31-L35 WeakPolarHBondContact O-CD1 3.38Å; A31-L35 WeakPolarHBondContact O-CG 3.5Å; A31-L35 PolarHBondContact O-N 3.43Å; A31-L35 VanDerWaalsContact O-N 3.16Å; E33-L35 VanDerWaalsContact C-N 3.29Å; E33-L35 PolarHBondContact O-N 3.16Å; L35-A38 PolarHBondContact O-N 3.29Å; L35-G39 PolarHBondContact O-N 3.29Å; L35-G39 VanDerWaalsContact O-N 3.14Å; L35-S43 WeakPolarHBondContact CD2-O 3.44Å; L35-L45 HydrophobicContact CD1-CG 4.42Å; L35-L45 HydrophobicContact CG-CD2 4.26Å; L35-C59 HydrophobicContact CD1-CB 3.54Å; L35-L61 HydrophobicContact CB-CB 4.47Å; L35-L61 HydrophobicContact CB-CD1 4.49Å; L35-L61 WeakPolarHBondContact O-CD2 3.34Å; L35-V66 HydrophobicContact CB-CG2 3.85Å; L35-V66 HydrophobicContact CD1-CG1 3.67Å; L35-V66 HydrophobicContact CD1-CG2 4.14Å; L35-V117 HydrophobicContact CD2-CG2 3.94Å
36	A	85.3	Confident	87.9	Confident	65 Å²	65	50.1 Å²	50.1	54%	0.537	28%	0.275	S	S	.	.	H	α-helix	trans	-65.5	-39.5	174.4	0	0	0	0	0	112.7	E32 E33 G39	E32-A36 WeakPolarHBondContact O-CB 3.45Å; E32-A36 PolarHBondContact O-N 3.46Å; E33-A36 CarbonylContact O-C 3.59Å; E33-A36 WeakPolarHBondContact O-CB 3.46Å; E33-A36 PolarHBondContact O-N 2.82Å; E33-A36 VanDerWaalsContact O-N 3.08Å; A36-G39 PolarHBondContact O-N 3.49Å
37	R	86.1	Confident	88.2	Confident	147 Å²	147	49.1 Å²	49.1	56%	0.555	27%	0.269	S	S	*	.	H	α-helix	trans	-61.8	-41.2	171.9	-70.5	179.1	-174.4	-168.6	3.9	111.3	E33 L34 G39 E120	E33-R37 HydrophobicContact CG-CG 4.43Å; E33-R37 WeakPolarHBondContact O-CG 3.16Å; E33-R37 PolarHBondContact O-N 2.75Å; E33-R37 IonicContact OE1-CZ 3.15Å; E33-R37 VanDerWaalsContact OE1-CZ 3.25Å; E33-R37 IonicContact OE1-NE 3.74Å; E33-R37 PolarHBondContact OE1-NE 3.31Å; E33-R37 IonicContact OE1-NH2 2.68Å; E33-R37 PolarHBondContact OE1-NH2 2.97Å; L34-R37 PolarHBondContact O-N 3.28Å; R37-G39 VanDerWaalsContact C-N 3.3Å; R37-G39 PolarHBondContact O-N 3.09Å; R37-E120 IonicContact CZ-OE1 3.61Å; R37-E120 IonicContact NH1-OE1 2.72Å; R37-E120 PolarHBondContact NH1-OE1 3.38Å; R37-E120 IonicContact NH1-OE2 3.15Å
38	A	84.4	Confident	88.4	Confident	36 Å²	36	49.1 Å²	49.1	30%	0.298	27%	0.265	S	S	.	.	H	α-helix	trans	-66.5	-28.1	178.1	0	0	0	0	0	113.5	L34 L35 R40 V117	L34-A38 WeakPolarHBondContact O-CB 3.37Å; L34-A38 PolarHBondContact O-N 2.95Å; L35-A38 PolarHBondContact O-N 3.29Å; A38-R40 PolarHBondContact O-N 3.2Å; A38-V117 HydrophobicContact CB-CG2 3.86Å
39	G	84.1	Confident	88.3	Confident	55 Å²	55	43.6 Å²	43.6	57%	0.567	25%	0.246	S	C	*	.			trans	64.1	8.8	159.6	0	0	0	0	0	117.9	L35 A36 R37	L35-G39 PolarHBondContact O-N 3.29Å; L35-G39 VanDerWaalsContact O-N 3.14Å; A36-G39 PolarHBondContact O-N 3.49Å; R37-G39 VanDerWaalsContact C-N 3.3Å; R37-G39 PolarHBondContact O-N 3.09Å
40	R	88.2	Confident	88.1	Confident	158 Å²	158	46.3 Å²	46.3	60%	0.596	25%	0.248	S	C	*	.	S	Bend	trans	-122.9	133.9	-176.2	-66.1	-178.1	68.3	-162.4	-1.9	111.8	A38 G42 S43 L61 L115	A38-R40 PolarHBondContact O-N 3.2Å; R40-G42 PolarHBondContact O-N 3.42Å; R40-S43 VanDerWaalsContact O-CB 3.25Å; R40-S43 WeakPolarHBondContact O-CB 3.3Å; R40-S43 PolarHBondContact O-N 3.48Å; R40-S43 VanDerWaalsContact O-N 3.09Å; R40-S43 PolarHBondContact O-OG 3.1Å; R40-S43 VanDerWaalsContact O-OG 3.11Å; R40-L61 WeakPolarHBondContact O-CD2 3.31Å; R40-L115 HydrophobicContact CB-CD1 3.76Å; R40-L115 HydrophobicContact CG-CD1 4.46Å
41	D	89.6	Confident	87.6	Confident	72 Å²	72	49 Å²	49	39%	0.385	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	134	176	-76.3	8.4	0	0	0	110.7	L61 Y62 Q63	D41-L61 WeakPolarHBondContact CA-O 3.39Å; D41-Y62 HydrophobicContact CB-CD2 4.07Å; D41-Y62 WeakPolarHBondContact OD1-CA 3.15Å; D41-Q63 PolarHBondContact OD1-N 2.93Å; D41-Q63 PolarHBondContact OD2-N 3.11Å
42	G	86.1	Confident	87.3	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	0.6	-171.3	0	0	0	0	0	114.7	R40 L61 L114 L115	R40-G42 PolarHBondContact O-N 3.42Å; G42-L61 PolarHBondContact N-O 3.49Å; G42-L114 PolarHBondContact O-N 3.28Å; G42-L115 PolarHBondContact O-N 2.75Å
43	S	93.3	Very high	86.6	Confident	4 Å²	4	54 Å²	54	3%	0.028	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	135.8	165.1	-71.3	0	0	0	0	111.3	L35 R40 V60 L61 L115	L35-S43 WeakPolarHBondContact CD2-O 3.44Å; R40-S43 VanDerWaalsContact O-CB 3.25Å; R40-S43 WeakPolarHBondContact O-CB 3.3Å; R40-S43 PolarHBondContact O-N 3.48Å; R40-S43 VanDerWaalsContact O-N 3.09Å; R40-S43 PolarHBondContact O-OG 3.1Å; R40-S43 VanDerWaalsContact O-OG 3.11Å; S43-V60 CarbonylContact O-C 3.53Å; S43-V60 WeakPolarHBondContact O-CA 3.29Å; S43-L61 PolarHBondContact O-N 3.22Å; S43-L115 CarbonylContact C-O 3.58Å; S43-L115 VanDerWaalsContact CA-O 3.27Å; S43-L115 WeakPolarHBondContact CA-O 3.27Å
44	F	93.7	Very high	86.1	Confident	9 Å²	9	51.9 Å²	51.9	4%	0.039	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	158.3	-175.4	76.7	-81.7	0	0	0	114.4	W21 L58 C59 V60 I99 L113 L115 P116 V117	W21-F44 HydrophobicContact CB-CD2 4.3Å; W21-F44 HydrophobicContact CB-CE2 3.67Å; W21-F44 HydrophobicContact CB-CZ 4.21Å; W21-F44 HydrophobicContact CD2-CE2 4.37Å; W21-F44 AromaticContact CG-CE2 3.81Å; W21-F44 HydrophobicContact CG-CE2 3.81Å; W21-F44 HydrophobicContact CG-CZ 4.27Å; F44-L58 HydrophobicContact CB-CD1 4.33Å; F44-L58 HydrophobicContact CD2-CD1 4.03Å; F44-C59 CarbonylContact C-O 3.52Å; F44-C59 WeakPolarHBondContact CA-O 3.4Å; F44-C59 WeakPolarHBondContact CB-O 3.43Å; F44-V60 HydrophobicContact CB-CB 4.5Å; F44-V60 HydrophobicContact CB-CG1 4.35Å; F44-V60 HydrophobicContact CB-CG2 4.16Å; F44-I99 HydrophobicContact CD2-CD1 4.27Å; F44-I99 HydrophobicContact CE2-CD1 4Å; F44-I99 HydrophobicContact CE2-CG2 3.63Å; F44-I99 HydrophobicContact CZ-CG2 3.75Å; F44-L113 HydrophobicContact CB-CD2 3.81Å; F44-L113 HydrophobicContact CD1-CB 3.7Å; F44-L113 HydrophobicContact CD1-CD2 4.31Å; F44-L113 HydrophobicContact CD1-CG 4.49Å; F44-L113 HydrophobicContact CD2-CB 4.42Å; F44-L113 HydrophobicContact CD2-CD1 4.19Å; F44-L113 HydrophobicContact CD2-CD2 4.29Å; F44-L113 HydrophobicContact CE1-CB 3.76Å; F44-L113 HydrophobicContact CE2-CB 4.48Å; F44-L113 HydrophobicContact CE2-CD1 4.29Å; F44-L113 HydrophobicContact CG-CB 4.05Å; F44-L113 HydrophobicContact CG-CD1 4.49Å; F44-L113 HydrophobicContact CG-CD2 3.88Å; F44-L113 HydrophobicContact CG-CG 4.35Å; F44-L113 HydrophobicContact CZ-CB 4.16Å; F44-L115 VanDerWaalsContact CD1-O 3.27Å; F44-L115 WeakPolarHBondContact CD1-O 3.33Å; F44-L115 PolarHBondContact N-O 3.22Å; F44-P116 HydrophobicContact CE1-CB 4.18Å; F44-P116 HydrophobicContact CZ-CB 4.06Å; F44-V117 PolarHBondContact O-N 3.22Å
45	L	94	Very high	85.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	162.2	166.4	65.6	83	0	0	0	110.9	W21 L26 A31 L35 R47 C59	W21-L45 CarbonylContact O-C 3.58Å; W21-L45 WeakPolarHBondContact O-CA 3.27Å; L26-L45 HydrophobicContact CD2-CD1 3.89Å; L26-L45 HydrophobicContact CD2-CD2 3.84Å; A31-L45 HydrophobicContact CB-CD1 4.01Å; A31-L45 HydrophobicContact CB-CD2 4.35Å; L35-L45 HydrophobicContact CD1-CG 4.42Å; L35-L45 HydrophobicContact CG-CD2 4.26Å; L45-R47 HydrophobicContact CD1-CB 4.3Å; L45-C59 HydrophobicContact CD1-CB 4.29Å; L45-C59 HydrophobicContact CG-CB 4.48Å; L45-C59 PolarHBondContact N-O 2.86Å; L45-C59 PolarHBondContact O-N 3.29Å
46	V	92.7	Very high	86	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	139.7	171.3	-177.4	0	0	0	0	108.8	W21 Y22 H23 F56 A57 L58 I71 L95 I99	W21-V46 HydrophobicContact CE3-CB 3.87Å; W21-V46 HydrophobicContact CE3-CG2 3.64Å; W21-V46 HydrophobicContact CZ3-CB 4Å; W21-V46 HydrophobicContact CZ3-CG2 3.8Å; W21-V46 PolarHBondContact O-N 3.27Å; Y22-V46 WeakPolarHBondContact CA-O 3.27Å; Y22-V46 HydrophobicContact CD2-CB 4.24Å; Y22-V46 HydrophobicContact CD2-CG1 4.14Å; H23-V46 PolarHBondContact N-O 2.87Å; V46-F56 HydrophobicContact CG1-CB 3.97Å; V46-A57 WeakPolarHBondContact CA-O 3.48Å; V46-L58 HydrophobicContact CG2-CB 4.33Å; V46-L58 HydrophobicContact CG2-CD1 3.92Å; V46-I71 HydrophobicContact CG1-CD1 4.48Å; V46-L95 HydrophobicContact CG1-CD1 4.38Å; V46-L95 HydrophobicContact CG1-CD2 4.38Å; V46-I99 HydrophobicContact CG2-CD1 3.68Å; V46-I99 HydrophobicContact CG2-CG1 4.29Å
47	R	92.5	Very high	86.3	Confident	9 Å²	9	49.7 Å²	49.7	3%	0.034	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	169.5	176.9	67.9	-171.7	-167.6	82.1	-0.3	111.8	H23 L26 L45 E50 F56 A57	H23-R47 WeakPolarHBondContact O-CA 3.48Å; H23-R47 VanDerWaalsContact O-CB 3.22Å; H23-R47 WeakPolarHBondContact O-CB 3.41Å; L26-R47 HydrophobicContact CB-CB 4.31Å; L26-R47 WeakPolarHBondContact O-CD 3.46Å; L26-R47 PolarHBondContact O-NH1 2.98Å; L45-R47 HydrophobicContact CD1-CB 4.3Å; R47-E50 IonicContact CZ-OE2 2.66Å; R47-E50 IonicContact NH1-OE1 3.4Å; R47-E50 IonicContact NH1-OE2 3.53Å; R47-E50 PolarHBondContact NH1-OE2 2.97Å; R47-E50 IonicContact NH2-OE2 2.99Å; R47-E50 PolarHBondContact NH2-OE2 2.91Å; R47-F56 CarbonylContact O-C 3.56Å; R47-F56 WeakPolarHBondContact O-CA 3.27Å; R47-A57 HydrophobicContact CG-CB 4.07Å; R47-A57 PolarHBondContact N-O 2.97Å; R47-A57 PolarHBondContact O-N 3.13Å
48	D	89.8	Confident	86.6	Confident	53 Å²	53	42.7 Å²	42.7	28%	0.283	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	150.1	176	-67.9	12	0	0	0	111.3	Y22 R24 E50 F56	Y22-D48 WeakPolarHBondContact CE2-OD1 3.19Å; Y22-D48 PolarHBondContact OH-OD1 3.11Å; R24-D48 WeakPolarHBondContact O-CB 3.36Å; R24-D48 PolarHBondContact O-N 3.08Å; D48-E50 PolarHBondContact O-N 3.04Å; D48-F56 VanDerWaalsContact OD1-CD1 3.31Å; D48-F56 WeakPolarHBondContact OD1-CD1 3.36Å; D48-F56 WeakPolarHBondContact OD1-CE1 3.48Å
49	S	83.6	Confident	87	Confident	16 Å²	16	41 Å²	41	11%	0.112	25%	0.254	C	S	.	.			trans	-84.2	101.7	-175.7	157	0	0	0	0	111.8	S51 V52 A55 R70	S49-S51 PolarHBondContact O-N 3.19Å; S49-S51 PolarHBondContact OG-OG 3.07Å; S49-V52 WeakPolarHBondContact CB-O 3.19Å; S49-V52 CarbonylContact O-C 3.51Å; S49-V52 PolarHBondContact O-N 2.84Å; S49-V52 PolarHBondContact OG-N 2.91Å; S49-V52 PolarHBondContact OG-O 3.48Å; S49-A55 WeakPolarHBondContact CB-O 3.23Å; S49-A55 PolarHBondContact N-O 3.4Å; S49-R70 PolarHBondContact OG-NH2 3.35Å; S49-R70 VanDerWaalsContact OG-NH2 3.07Å
50	E	81.1	Confident	87.4	Confident	124 Å²	124	38.4 Å²	38.4	58%	0.579	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-19.8	173.5	-61	143.9	133.1	0	0	114.7	S27 R28 R47 D48	S27-E50 WeakPolarHBondContact CA-OE1 3.43Å; R28-E50 PolarHBondContact N-OE1 2.8Å; R47-E50 IonicContact CZ-OE2 2.66Å; R47-E50 IonicContact NH1-OE1 3.4Å; R47-E50 IonicContact NH1-OE2 3.53Å; R47-E50 PolarHBondContact NH1-OE2 2.97Å; R47-E50 IonicContact NH2-OE2 2.99Å; R47-E50 PolarHBondContact NH2-OE2 2.91Å; D48-E50 PolarHBondContact O-N 3.04Å
51	S	75.8	Confident	87.5	Confident	90 Å²	90	31.2 Å²	31.2	63%	0.629	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-9.9	-176	62.9	0	0	0	0	115.6	S49 R70	S49-S51 PolarHBondContact O-N 3.19Å; S49-S51 PolarHBondContact OG-OG 3.07Å; S51-R70 PolarHBondContact OG-NH2 3.49Å
52	V	79	Confident	87.6	Confident	68 Å²	68	31 Å²	31	41%	0.412	19%	0.194	S	C	.	.	S	Bend	trans	-156.5	118.1	177.4	166.9	0	0	0	0	107.7	S49 A55 R70	S49-V52 WeakPolarHBondContact CB-O 3.19Å; S49-V52 CarbonylContact O-C 3.51Å; S49-V52 PolarHBondContact O-N 2.84Å; S49-V52 PolarHBondContact OG-N 2.91Å; S49-V52 PolarHBondContact OG-O 3.48Å; V52-A55 HydrophobicContact CB-CB 4.17Å; V52-A55 HydrophobicContact CG1-CB 3.9Å; V52-A55 PolarHBondContact O-N 3.14Å; V52-R70 VanDerWaalsContact CG2-NH2 3.28Å
53	A	74.8	Confident	87.6	Confident	102 Å²	102	36.9 Å²	36.9	84%	0.843	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	142.8	174.2	0	0	0	0	0	111.5	A55	A53-A55 PolarHBondContact O-N 3.28Å
54	G	77.8	Confident	87.2	Confident	56 Å²	56	45.9 Å²	45.9	58%	0.577	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	1.8	-178.3	0	0	0	0	0	115.5
55	A	84.4	Confident	86.7	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.008	29%	0.287	C	S	.	.			trans	-103.4	158.1	170.8	0	0	0	0	0	111.1	S49 V52 A53 I71 L72	S49-A55 WeakPolarHBondContact CB-O 3.23Å; S49-A55 PolarHBondContact N-O 3.4Å; V52-A55 HydrophobicContact CB-CB 4.17Å; V52-A55 HydrophobicContact CG1-CB 3.9Å; V52-A55 PolarHBondContact O-N 3.14Å; A53-A55 PolarHBondContact O-N 3.28Å; A55-I71 WeakPolarHBondContact CB-O 3.36Å; A55-L72 HydrophobicContact CB-CD2 3.83Å
56	F	89.8	Confident	86.5	Confident	36 Å²	36	53.3 Å²	53.3	16%	0.158	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	162.9	178.5	-49.6	-81.7	0	0	0	111.9	Y22 V46 R47 D48 I71 L79 L95	Y22-F56 HydrophobicContact CE2-CD1 4.04Å; Y22-F56 HydrophobicContact CE2-CE1 4.1Å; V46-F56 HydrophobicContact CG1-CB 3.97Å; R47-F56 CarbonylContact O-C 3.56Å; R47-F56 WeakPolarHBondContact O-CA 3.27Å; D48-F56 VanDerWaalsContact OD1-CD1 3.31Å; D48-F56 WeakPolarHBondContact OD1-CD1 3.36Å; D48-F56 WeakPolarHBondContact OD1-CE1 3.48Å; F56-I71 HydrophobicContact CB-CB 4.09Å; F56-I71 HydrophobicContact CB-CD1 4.22Å; F56-I71 PolarHBondContact N-O 2.92Å; F56-I71 PolarHBondContact O-N 3.03Å; F56-L79 HydrophobicContact CD2-CD2 4.25Å; F56-L79 HydrophobicContact CE2-CD2 4.07Å; F56-L95 HydrophobicContact CB-CD2 4.41Å; F56-L95 HydrophobicContact CD1-CD1 4.12Å; F56-L95 HydrophobicContact CD2-CD1 4.09Å; F56-L95 HydrophobicContact CD2-CD2 3.95Å; F56-L95 HydrophobicContact CD2-CG 4.35Å; F56-L95 HydrophobicContact CE1-CD1 4.14Å; F56-L95 HydrophobicContact CE2-CD1 4.11Å; F56-L95 HydrophobicContact CE2-CG 4.45Å; F56-L95 HydrophobicContact CG-CD1 4.09Å; F56-L95 HydrophobicContact CG-CD2 4.22Å; F56-L95 HydrophobicContact CZ-CD1 4.13Å
57	A	91.1	Very high	86.2	Confident	7 Å²	7	56.3 Å²	56.3	6%	0.058	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	111.1	177.7	0	0	0	0	0	110.3	V46 R47 T68	V46-A57 WeakPolarHBondContact CA-O 3.48Å; R47-A57 HydrophobicContact CG-CB 4.07Å; R47-A57 PolarHBondContact N-O 2.97Å; R47-A57 PolarHBondContact O-N 3.13Å; A57-T68 HydrophobicContact CB-CG2 3.92Å
58	L	92.2	Very high	86.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	117.7	171.5	166.8	60.2	0	0	0	108.8	F44 V46 V60 T68 Y69 I71 L98 I99 L109 L113	F44-L58 HydrophobicContact CB-CD1 4.33Å; F44-L58 HydrophobicContact CD2-CD1 4.03Å; V46-L58 HydrophobicContact CG2-CB 4.33Å; V46-L58 HydrophobicContact CG2-CD1 3.92Å; L58-V60 HydrophobicContact CD1-CG2 3.97Å; L58-V60 HydrophobicContact CG-CG2 3.95Å; L58-T68 CarbonylContact O-C 3.52Å; L58-T68 WeakPolarHBondContact O-CA 3.34Å; L58-Y69 PolarHBondContact N-O 3.45Å; L58-Y69 PolarHBondContact O-N 3.33Å; L58-I71 HydrophobicContact CB-CD1 4.1Å; L58-L98 HydrophobicContact CD2-CD2 4.34Å; L58-I99 HydrophobicContact CD1-CD1 3.85Å; L58-I99 HydrophobicContact CD2-CD1 4.3Å; L58-L109 HydrophobicContact CD2-CD1 3.91Å; L58-L113 HydrophobicContact CD1-CD1 4.2Å; L58-L113 HydrophobicContact CD1-CD2 4.08Å; L58-L113 HydrophobicContact CD2-CD1 4.12Å; L58-L113 HydrophobicContact CD2-CD2 4.36Å
59	C	92.7	Very high	86	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.014	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.2	-179.7	-57.6	0	0	0	0	109.4	L35 F44 L45 V66 H67	L35-C59 HydrophobicContact CD1-CB 3.54Å; F44-C59 CarbonylContact C-O 3.52Å; F44-C59 WeakPolarHBondContact CA-O 3.4Å; F44-C59 WeakPolarHBondContact CB-O 3.43Å; L45-C59 HydrophobicContact CD1-CB 4.29Å; L45-C59 HydrophobicContact CG-CB 4.48Å; L45-C59 PolarHBondContact N-O 2.86Å; L45-C59 PolarHBondContact O-N 3.29Å; C59-V66 HydrophobicContact CB-CG1 4.13Å; C59-H67 WeakPolarHBondContact CA-O 3.5Å
60	V	92.7	Very high	86.1	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131.6	-173.9	-167.5	0	0	0	0	110.4	S43 F44 L58 V66 H67 Y69 L113	S43-V60 CarbonylContact O-C 3.53Å; S43-V60 WeakPolarHBondContact O-CA 3.29Å; F44-V60 HydrophobicContact CB-CB 4.5Å; F44-V60 HydrophobicContact CB-CG1 4.35Å; F44-V60 HydrophobicContact CB-CG2 4.16Å; L58-V60 HydrophobicContact CD1-CG2 3.97Å; L58-V60 HydrophobicContact CG-CG2 3.95Å; V60-V66 WeakPolarHBondContact O-CA 3.47Å; V60-H67 PolarHBondContact N-O 2.93Å; V60-H67 PolarHBondContact O-N 3.5Å; V60-Y69 HydrophobicContact CG2-CD2 4.22Å; V60-Y69 HydrophobicContact CG2-CE2 4.15Å; V60-L113 HydrophobicContact CB-CD2 4.43Å; V60-L113 HydrophobicContact CG1-CD2 4.02Å; V60-L113 HydrophobicContact CG2-CD2 3.47Å; V60-L113 VanDerWaalsContact CG2-CD2 3.47Å
61	L	91.5	Very high	86.4	Confident	6 Å²	6	55 Å²	55	3%	0.031	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	130.9	173.6	-166.1	77.8	0	0	0	111	L35 R40 D41 G42 S43 H65 V66	L35-L61 HydrophobicContact CB-CB 4.47Å; L35-L61 HydrophobicContact CB-CD1 4.49Å; L35-L61 WeakPolarHBondContact O-CD2 3.34Å; R40-L61 WeakPolarHBondContact O-CD2 3.31Å; D41-L61 WeakPolarHBondContact CA-O 3.39Å; G42-L61 PolarHBondContact N-O 3.49Å; S43-L61 PolarHBondContact O-N 3.22Å; L61-H65 WeakPolarHBondContact CA-O 3.45Å; L61-V66 HydrophobicContact CD1-CG2 3.68Å
62	Y	90.3	Very high	86.8	Confident	68 Å²	68	53.7 Å²	53.7	27%	0.267	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	134.8	170.8	-174.9	-108.4	0	0	0	111.2	D41 K64 H65 V110 C111	D41-Y62 HydrophobicContact CB-CD2 4.07Å; D41-Y62 WeakPolarHBondContact OD1-CA 3.15Å; Y62-K64 PolarHBondContact O-N 2.96Å; Y62-K64 VanDerWaalsContact O-N 3.15Å; Y62-H65 PolarHBondContact N-O 3.48Å; Y62-H65 PolarHBondContact O-N 3.16Å; Y62-H65 VanDerWaalsContact O-O 3.1Å; Y62-V110 HydrophobicContact CD1-CB 4.37Å; Y62-V110 HydrophobicContact CD1-CG1 4.17Å; Y62-V110 HydrophobicContact CD1-CG2 3.37Å; Y62-V110 HydrophobicContact CE1-CG2 3.76Å; Y62-V110 HydrophobicContact CG-CG1 4.02Å; Y62-V110 HydrophobicContact CG-CG2 4.06Å; Y62-C111 HydrophobicContact CD2-CB 3.54Å; Y62-C111 HydrophobicContact CE2-CB 3.92Å; Y62-C111 HydrophobicContact CG-CB 4.23Å
63	Q	87.7	Confident	86.8	Confident	123 Å²	123	53.4 Å²	53.4	58%	0.575	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	43.5	-177.2	-63.4	-178.2	15.4	0	0	113.3	D41 H65	D41-Q63 PolarHBondContact OD1-N 2.93Å; D41-Q63 PolarHBondContact OD2-N 3.11Å; Q63-H65 PolarHBondContact O-N 3.25Å; Q63-H65 PolarHBondContact O-ND1 3.34Å
64	K	84.8	Confident	86.6	Confident	194 Å²	194	51.8 Å²	51.8	84%	0.843	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	13.6	-175.2	-50.7	-175.6	178.8	-174.7	0	116.1	Y62	Y62-K64 PolarHBondContact O-N 2.96Å; Y62-K64 VanDerWaalsContact O-N 3.15Å
65	H	82.4	Confident	85.8	Confident	128 Å²	128	52.9 Å²	52.9	59%	0.593	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	142.2	175	-65.8	76.3	0	0	0	110.3	L61 Y62 Q63	L61-H65 WeakPolarHBondContact CA-O 3.45Å; Y62-H65 PolarHBondContact N-O 3.48Å; Y62-H65 PolarHBondContact O-N 3.16Å; Y62-H65 VanDerWaalsContact O-O 3.1Å; Q63-H65 PolarHBondContact O-N 3.25Å; Q63-H65 PolarHBondContact O-ND1 3.34Å
66	V	89.9	Confident	85	Confident	36 Å²	36	58.4 Å²	58.4	22%	0.218	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	118.4	173.4	177	0	0	0	0	109.3	E32 L35 C59 V60 L61	E32-V66 HydrophobicContact CG-CB 4.13Å; E32-V66 HydrophobicContact CG-CG1 4.02Å; E32-V66 HydrophobicContact CG-CG2 4.41Å; L35-V66 HydrophobicContact CB-CG2 3.85Å; L35-V66 HydrophobicContact CD1-CG1 3.67Å; L35-V66 HydrophobicContact CD1-CG2 4.14Å; C59-V66 HydrophobicContact CB-CG1 4.13Å; V60-V66 WeakPolarHBondContact O-CA 3.47Å; L61-V66 HydrophobicContact CD1-CG2 3.68Å
67	H	87	Confident	83.9	Confident	64 Å²	64	63.7 Å²	63.7	30%	0.296	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	117.8	176.1	-68.2	-104.3	0	0	0	109.4	C59 V60 Y69 V110	C59-H67 WeakPolarHBondContact CA-O 3.5Å; V60-H67 PolarHBondContact N-O 2.93Å; V60-H67 PolarHBondContact O-N 3.5Å; H67-Y69 HydrophobicContact CB-CE2 3.69Å; H67-V110 HydrophobicContact CB-CG1 4.21Å
68	T	88.9	Confident	83.3	Confident	62 Å²	62	66.3 Å²	66.3	38%	0.38	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.5	176.7	-52.1	0	0	0	0	110.9	A57 L58	A57-T68 HydrophobicContact CB-CG2 3.92Å; L58-T68 CarbonylContact O-C 3.52Å; L58-T68 WeakPolarHBondContact O-CA 3.34Å
69	Y	87.5	Confident	82.8	Confident	39 Å²	39	67.2 Å²	67.2	15%	0.153	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.5	175.9	-59.1	-89.4	0	0	0	109.6	L58 V60 H67 L109 V110	L58-Y69 PolarHBondContact N-O 3.45Å; L58-Y69 PolarHBondContact O-N 3.33Å; V60-Y69 HydrophobicContact CG2-CD2 4.22Å; V60-Y69 HydrophobicContact CG2-CE2 4.15Å; H67-Y69 HydrophobicContact CB-CE2 3.69Å; Y69-L109 HydrophobicContact CD1-CD2 3.65Å; Y69-L109 HydrophobicContact CD2-CD2 3.95Å; Y69-L109 HydrophobicContact CE1-CD2 3.64Å; Y69-L109 HydrophobicContact CE2-CB 4.45Å; Y69-L109 HydrophobicContact CE2-CD2 3.94Å; Y69-L109 HydrophobicContact CG-CD2 3.8Å; Y69-V110 WeakPolarHBondContact OH-CB 3.31Å; Y69-V110 WeakPolarHBondContact OH-CG1 3.48Å; Y69-V110 PolarHBondContact OH-N 3.3Å
70	R	87.1	Confident	82.2	Confident	74 Å²	74	67.7 Å²	67.7	28%	0.279	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	131.7	-180	-165.4	179.1	-159.1	131.8	21	110.4	S49 S51 V52 L72 V81 Q82	S49-R70 PolarHBondContact OG-NH2 3.35Å; S49-R70 VanDerWaalsContact OG-NH2 3.07Å; S51-R70 PolarHBondContact OG-NH2 3.49Å; V52-R70 VanDerWaalsContact CG2-NH2 3.28Å; R70-L72 HydrophobicContact CG-CD2 4.14Å; R70-L72 HydrophobicContact CG-CG 4.19Å; R70-V81 WeakPolarHBondContact O-CA 3.36Å; R70-Q82 HydrophobicContact CB-CB 4.15Å; R70-Q82 PolarHBondContact O-N 3.24Å
71	I	87.8	Confident	81.6	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.8	171.6	-48.6	176	0	0	0	107.1	V46 A55 F56 L58 L79 A80 V81 L95 L98	V46-I71 HydrophobicContact CG1-CD1 4.48Å; A55-I71 WeakPolarHBondContact CB-O 3.36Å; F56-I71 HydrophobicContact CB-CB 4.09Å; F56-I71 HydrophobicContact CB-CD1 4.22Å; F56-I71 PolarHBondContact N-O 2.92Å; F56-I71 PolarHBondContact O-N 3.03Å; L58-I71 HydrophobicContact CB-CD1 4.1Å; I71-L79 HydrophobicContact CG2-CB 3.9Å; I71-L79 HydrophobicContact CG2-CD2 4.21Å; I71-L79 HydrophobicContact CG2-CG 4.46Å; I71-A80 WeakPolarHBondContact CA-O 3.38Å; I71-V81 HydrophobicContact CG1-CG2 4.38Å; I71-L95 HydrophobicContact CD1-CD2 3.62Å; I71-L95 HydrophobicContact CG2-CD2 4.37Å; I71-L98 HydrophobicContact CD1-CD1 3.83Å; I71-L98 HydrophobicContact CD1-CD2 3.86Å; I71-L98 HydrophobicContact CG1-CD1 4.19Å; I71-L98 HydrophobicContact CG2-CD1 3.76Å
72	L	83.7	Confident	80.6	Confident	61 Å²	61	73.3 Å²	73.3	32%	0.319	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	141.9	178	-66.8	174.7	0	0	0	109.8	A55 R70 A80	A55-L72 HydrophobicContact CB-CD2 3.83Å; R70-L72 HydrophobicContact CG-CD2 4.14Å; R70-L72 HydrophobicContact CG-CG 4.19Å; L72-A80 PolarHBondContact N-O 3.38Å; L72-A80 PolarHBondContact O-N 3.08Å
73	P	78.1	Confident	79.2	Confident	63 Å²	63	72 Å²	72	41%	0.409	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	133.9	159.4	30.3	-32.2	0	0	0	109.7	F78	P73-F78 CarbonylContact C-O 3.58Å; P73-F78 WeakPolarHBondContact CA-O 3.26Å
74	D	71.4	Confident	77.4	Confident	67 Å²	67	70.4 Å²	70.4	36%	0.358	38%	0.378	S	S	.	.			trans	-83.5	168.1	168.1	-157.7	-15.1	0	0	0	109.6	E76 D77 F78 R91	D74-E76 PolarHBondContact O-N 2.94Å; D74-D77 PolarHBondContact O-N 3.35Å; D74-D77 VanDerWaalsContact O-N 3.14Å; D74-F78 WeakPolarHBondContact CB-O 3.41Å; D74-F78 PolarHBondContact N-O 3.02Å; D74-R91 IonicContact OD1-NH2 3.38Å; D74-R91 IonicContact OD2-CZ 3.82Å; D74-R91 IonicContact OD2-NE 3.08Å; D74-R91 PolarHBondContact OD2-NE 2.93Å; D74-R91 IonicContact OD2-NH2 2.69Å; D74-R91 PolarHBondContact OD2-NH2 2.89Å
75	G	60.3	Low	75.3	Confident	80 Å²	80	71.1 Å²	71.1	83%	0.825	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	11.1	-175.8	0	0	0	0	0	116.3
76	E	68.1	Low	73.8	Confident	116 Å²	116	68.9 Å²	68.9	54%	0.542	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.8	23.3	-178.4	-61.3	177.2	122.1	0	0	110.6	D74 F78 R91	D74-E76 PolarHBondContact O-N 2.94Å; E76-F78 HydrophobicContact CB-CD2 3.89Å; E76-F78 HydrophobicContact CB-CE2 4.28Å; E76-F78 WeakPolarHBondContact O-CD2 3.48Å; E76-F78 PolarHBondContact O-N 3.03Å; E76-F78 VanDerWaalsContact O-N 3.08Å; E76-R91 IonicContact OE2-CZ 3.26Å; E76-R91 IonicContact OE2-NH1 2.69Å; E76-R91 PolarHBondContact OE2-NH1 3.14Å; E76-R91 IonicContact OE2-NH2 2.78Å; E76-R91 PolarHBondContact OE2-NH2 3.45Å
77	D	67.4	Low	72.2	Confident	148 Å²	148	70 Å²	70	79%	0.791	40%	0.402	S	S	*	.	S	Bend	trans	61	5.8	-176.6	-67.5	-38.8	0	0	0	116.8	D74	D74-D77 PolarHBondContact O-N 3.35Å; D74-D77 VanDerWaalsContact O-N 3.14Å
78	F	78.6	Confident	70.8	Confident	62 Å²	62	71.6 Å²	71.6	27%	0.272	42%	0.419	S	S	.	.			trans	-75.6	137.9	171.9	-71	-94.8	0	0	0	112.3	P73 D74 E76 R91 F92 Q93	P73-F78 CarbonylContact C-O 3.58Å; P73-F78 WeakPolarHBondContact CA-O 3.26Å; D74-F78 WeakPolarHBondContact CB-O 3.41Å; D74-F78 PolarHBondContact N-O 3.02Å; E76-F78 HydrophobicContact CB-CD2 3.89Å; E76-F78 HydrophobicContact CB-CE2 4.28Å; E76-F78 WeakPolarHBondContact O-CD2 3.48Å; E76-F78 PolarHBondContact O-N 3.03Å; E76-F78 VanDerWaalsContact O-N 3.08Å; F78-R91 HydrophobicContact CB-CB 3.99Å; F78-R91 HydrophobicContact CB-CG 4.15Å; F78-R91 HydrophobicContact CD1-CB 4.05Å; F78-R91 HydrophobicContact CG-CB 4.23Å; F78-F92 CarbonylContact C-O 3.55Å; F78-F92 WeakPolarHBondContact CA-O 2.99Å; F78-Q93 HydrophobicContact CD1-CG 3.86Å; F78-Q93 HydrophobicContact CE1-CG 3.47Å; F78-Q93 VanDerWaalsContact CE1-CG 3.47Å; F78-Q93 HydrophobicContact CZ-CG 4.29Å
79	L	81	Confident	69.6	Low	18 Å²	18	73.2 Å²	73.2	9%	0.094	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	136.4	172.5	-61	175.6	0	0	0	111.2	F56 I71 R91 F92 L95 L98	F56-L79 HydrophobicContact CD2-CD2 4.25Å; F56-L79 HydrophobicContact CE2-CD2 4.07Å; I71-L79 HydrophobicContact CG2-CB 3.9Å; I71-L79 HydrophobicContact CG2-CD2 4.21Å; I71-L79 HydrophobicContact CG2-CG 4.46Å; L79-R91 CarbonylContact O-C 3.43Å; L79-R91 WeakPolarHBondContact O-CA 3.04Å; L79-F92 PolarHBondContact N-O 3.25Å; L79-F92 WeakPolarHBondContact O-CD2 3.48Å; L79-F92 PolarHBondContact O-N 3.39Å; L79-L95 HydrophobicContact CD1-CD2 3.77Å; L79-L95 HydrophobicContact CD1-CG 3.73Å; L79-L98 HydrophobicContact CB-CD1 4.45Å
80	A	79.3	Confident	68.9	Low	13 Å²	13	75.8 Å²	75.8	11%	0.107	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	137.1	178	0	0	0	0	0	112	I71 L72 V89	I71-A80 WeakPolarHBondContact CA-O 3.38Å; L72-A80 PolarHBondContact N-O 3.38Å; L72-A80 PolarHBondContact O-N 3.08Å; A80-V89 HydrophobicContact CB-CG1 3.8Å
81	V	80.1	Confident	68.7	Low	2 Å²	2	78.1 Å²	78.1	1%	0.012	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	127	175.1	-176.4	0	0	0	0	110.5	R70 I71 T83 L98 Y102	R70-V81 WeakPolarHBondContact O-CA 3.36Å; I71-V81 HydrophobicContact CG1-CG2 4.38Å; V81-T83 HydrophobicContact CG1-CG2 4.42Å; V81-T83 PolarHBondContact O-N 2.83Å; V81-T83 VanDerWaalsContact O-N 3.12Å; V81-L98 HydrophobicContact CG2-CD1 3.73Å; V81-L98 HydrophobicContact CG2-CD2 4.21Å; V81-L98 HydrophobicContact CG2-CG 4.06Å; V81-Y102 HydrophobicContact CB-CE2 4.4Å; V81-Y102 HydrophobicContact CG2-CD2 4.47Å; V81-Y102 HydrophobicContact CG2-CE2 3.56Å
82	Q	71	Confident	68.4	Low	122 Å²	122	78.8 Å²	78.8	57%	0.57	45%	0.449	S	S	*	.			trans	-74.9	100.1	177.2	-168.3	171.3	26.3	0	0	110.9	R70	R70-Q82 HydrophobicContact CB-CB 4.15Å; R70-Q82 PolarHBondContact O-N 3.24Å
83	T	60	Low	68.2	Low	39 Å²	39	82.2 Å²	82.2	24%	0.239	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-98	172.4	-179.9	49.6	0	0	0	0	112.5	V81 V87	V81-T83 HydrophobicContact CG1-CG2 4.42Å; V81-T83 PolarHBondContact O-N 2.83Å; V81-T83 VanDerWaalsContact O-N 3.12Å; T83-V87 HydrophobicContact CG2-CG1 4.23Å
84	S	50.7	Low	68.5	Low	91 Å²	91	82.5 Å²	82.5	64%	0.636	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-70.3	151.9	172.4	43.7	0	0	0	0	112.1	G86 V87	S84-G86 PolarHBondContact O-N 3.08Å; S84-V87 PolarHBondContact O-N 3.34Å
85	Q	41.5	Very low	69	Low	208 Å²	208	80.5 Å²	80.5	97%	0.972	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	124.2	-179.5	-69.7	-172	-13.5	0	0	111.5
86	G	51	Low	70.1	Confident	81 Å²	81	78.7 Å²	78.7	84%	0.835	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	116.8	-20.2	-179.2	0	0	0	0	0	114.3	S84	S84-G86 PolarHBondContact O-N 3.08Å
87	V	56.3	Low	70.9	Confident	59 Å²	59	77.6 Å²	77.6	36%	0.358	43%	0.43	S	S	.	.	S	Bend	trans	-85.3	131.6	174.5	-176.3	0	0	0	0	109.8	T83 S84 V89	T83-V87 HydrophobicContact CG2-CG1 4.23Å; S84-V87 PolarHBondContact O-N 3.34Å; V87-V89 PolarHBondContact O-N 3.46Å
88	P	56.2	Low	71.8	Confident	99 Å²	99	70.5 Å²	70.5	64%	0.643	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-65.8	124.7	175.9	26.1	-33.6	0	0	0	110.8	R90	P88-R90 PolarHBondContact O-N 3.25Å
89	V	65.5	Low	72.3	Confident	96 Å²	96	68.1 Å²	68.1	58%	0.582	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-67	116.9	179	-178.7	0	0	0	0	109.3	A80 V87	A80-V89 HydrophobicContact CB-CG1 3.8Å; V87-V89 PolarHBondContact O-N 3.46Å
90	R	72.1	Confident	72.5	Confident	93 Å²	93	69.3 Å²	69.3	35%	0.351	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-91.6	133.9	175.5	-57.2	-170	-167.6	-179.2	11.2	109.7	P88 F92 Q107	P88-R90 PolarHBondContact O-N 3.25Å; R90-F92 HydrophobicContact CB-CE2 3.82Å; R90-F92 HydrophobicContact CB-CZ 3.8Å; R90-F92 WeakPolarHBondContact O-CE2 3.33Å; R90-Q107 VanDerWaalsContact CZ-OE1 3.3Å
91	R	81.6	Confident	72.8	Confident	122 Å²	122	70.9 Å²	70.9	46%	0.46	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	140.9	175.7	-73.8	175.2	169	-171.4	-10.1	109.6	D74 E76 F78 L79	D74-R91 IonicContact OD1-NH2 3.38Å; D74-R91 IonicContact OD2-CZ 3.82Å; D74-R91 IonicContact OD2-NE 3.08Å; D74-R91 PolarHBondContact OD2-NE 2.93Å; D74-R91 IonicContact OD2-NH2 2.69Å; D74-R91 PolarHBondContact OD2-NH2 2.89Å; E76-R91 IonicContact OE2-CZ 3.26Å; E76-R91 IonicContact OE2-NH1 2.69Å; E76-R91 PolarHBondContact OE2-NH1 3.14Å; E76-R91 IonicContact OE2-NH2 2.78Å; E76-R91 PolarHBondContact OE2-NH2 3.45Å; F78-R91 HydrophobicContact CB-CB 3.99Å; F78-R91 HydrophobicContact CB-CG 4.15Å; F78-R91 HydrophobicContact CD1-CB 4.05Å; F78-R91 HydrophobicContact CG-CB 4.23Å; L79-R91 CarbonylContact O-C 3.43Å; L79-R91 WeakPolarHBondContact O-CA 3.04Å
92	F	82.9	Confident	73	Confident	14 Å²	14	71.2 Å²	71.2	6%	0.061	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.4	-179.6	-53.9	-90.6	0	0	0	109.2	F78 L79 R90 E97 L98 L101 Y102	F78-F92 CarbonylContact C-O 3.55Å; F78-F92 WeakPolarHBondContact CA-O 2.99Å; L79-F92 PolarHBondContact N-O 3.25Å; L79-F92 WeakPolarHBondContact O-CD2 3.48Å; L79-F92 PolarHBondContact O-N 3.39Å; R90-F92 HydrophobicContact CB-CE2 3.82Å; R90-F92 HydrophobicContact CB-CZ 3.8Å; R90-F92 WeakPolarHBondContact O-CE2 3.33Å; F92-E97 HydrophobicContact CB-CB 4.48Å; F92-E97 HydrophobicContact CD1-CB 4.22Å; F92-L98 HydrophobicContact CB-CB 4.15Å; F92-L98 HydrophobicContact CD1-CB 4.04Å; F92-L98 HydrophobicContact CD2-CB 4.02Å; F92-L98 HydrophobicContact CD2-CD1 3.8Å; F92-L98 HydrophobicContact CD2-CG 3.92Å; F92-L98 HydrophobicContact CE1-CB 4.43Å; F92-L98 HydrophobicContact CE2-CB 4.42Å; F92-L98 HydrophobicContact CE2-CD1 4.21Å; F92-L98 HydrophobicContact CE2-CG 4.03Å; F92-L98 HydrophobicContact CG-CB 3.81Å; F92-L98 HydrophobicContact CG-CD1 4.35Å; F92-L98 HydrophobicContact CG-CG 4.24Å; F92-L98 HydrophobicContact CZ-CG 4.44Å; F92-L101 HydrophobicContact CE1-CB 3.91Å; F92-L101 HydrophobicContact CE1-CD1 4.02Å; F92-L101 HydrophobicContact CE1-CD2 4.32Å; F92-L101 HydrophobicContact CE1-CG 4.29Å; F92-L101 HydrophobicContact CZ-CD2 4.2Å; F92-Y102 AromaticContact CE2-CE2 3.94Å; F92-Y102 HydrophobicContact CE2-CE2 3.94Å; F92-Y102 HydrophobicContact CZ-CD2 4.46Å; F92-Y102 AromaticContact CZ-CE2 3.71Å; F92-Y102 HydrophobicContact CZ-CE2 3.71Å
93	Q	79.4	Confident	73.8	Confident	133 Å²	133	67.4 Å²	67.4	62%	0.621	40%	0.396	S	S	*	.	S	Bend	trans	-85	-25.5	175.6	-66.3	-174.5	-9.5	0	0	111.8	F78 E97	F78-Q93 HydrophobicContact CD1-CG 3.86Å; F78-Q93 HydrophobicContact CE1-CG 3.47Å; F78-Q93 VanDerWaalsContact CE1-CG 3.47Å; F78-Q93 HydrophobicContact CZ-CG 4.29Å; Q93-E97 WeakPolarHBondContact CA-OE2 3.47Å; Q93-E97 WeakPolarHBondContact CB-OE2 3.24Å; Q93-E97 PolarHBondContact N-OE2 3.47Å
94	T	83.9	Confident	74.7	Confident	70 Å²	70	70.8 Å²	70.8	43%	0.429	41%	0.409	S	S	.	.	S	Bend	trans	-136.2	157.3	177.2	70.9	0	0	0	0	113.3	G96 E97 L98	T94-G96 PolarHBondContact O-N 3.44Å; T94-G96 PolarHBondContact OG1-N 2.93Å; T94-E97 PolarHBondContact N-OE2 3.12Å; T94-E97 PolarHBondContact O-N 3.14Å; T94-E97 WeakPolarHBondContact OG1-CG 3.47Å; T94-E97 PolarHBondContact OG1-N 3.32Å; T94-E97 VanDerWaalsContact OG1-N 3.17Å; T94-L98 PolarHBondContact O-N 3.36Å
95	L	82.6	Confident	76	Confident	25 Å²	25	70.7 Å²	70.7	13%	0.131	41%	0.406	C	S	.	.	H	α-helix	trans	-59.6	-29.4	168.1	-71.4	172.4	0	0	0	111.9	W21 Y22 V46 F56 I71 L79 L98 I99	W21-L95 HydrophobicContact CH2-CB 3.75Å; W21-L95 HydrophobicContact CZ3-CB 4.12Å; Y22-L95 HydrophobicContact CE2-CD1 4.48Å; V46-L95 HydrophobicContact CG1-CD1 4.38Å; V46-L95 HydrophobicContact CG1-CD2 4.38Å; F56-L95 HydrophobicContact CB-CD2 4.41Å; F56-L95 HydrophobicContact CD1-CD1 4.12Å; F56-L95 HydrophobicContact CD2-CD1 4.09Å; F56-L95 HydrophobicContact CD2-CD2 3.95Å; F56-L95 HydrophobicContact CD2-CG 4.35Å; F56-L95 HydrophobicContact CE1-CD1 4.14Å; F56-L95 HydrophobicContact CE2-CD1 4.11Å; F56-L95 HydrophobicContact CE2-CG 4.45Å; F56-L95 HydrophobicContact CG-CD1 4.09Å; F56-L95 HydrophobicContact CG-CD2 4.22Å; F56-L95 HydrophobicContact CZ-CD1 4.13Å; I71-L95 HydrophobicContact CD1-CD2 3.62Å; I71-L95 HydrophobicContact CG2-CD2 4.37Å; L79-L95 HydrophobicContact CD1-CD2 3.77Å; L79-L95 HydrophobicContact CD1-CG 3.73Å; L95-L98 PolarHBondContact O-N 3.03Å; L95-I99 VanDerWaalsContact O-CG1 3.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.22Å; L95-I99 PolarHBondContact O-N 2.91Å
96	G	83.7	Confident	77.5	Confident	42 Å²	42	68.7 Å²	68.7	43%	0.433	40%	0.402	S	S	.	.	H	α-helix	trans	-64.6	-44.5	177.8	0	0	0	0	0	113.1	T94 G100	T94-G96 PolarHBondContact O-N 3.44Å; T94-G96 PolarHBondContact OG1-N 2.93Å; G96-G100 PolarHBondContact O-N 2.98Å
97	E	83.9	Confident	78.8	Confident	92 Å²	92	66.9 Å²	66.9	43%	0.43	37%	0.372	S	S	.	.	H	α-helix	trans	-63.7	-41.9	174.3	-67.9	169.6	150.5	0	0	111.9	F92 Q93 T94 G100 L101	F92-E97 HydrophobicContact CB-CB 4.48Å; F92-E97 HydrophobicContact CD1-CB 4.22Å; Q93-E97 WeakPolarHBondContact CA-OE2 3.47Å; Q93-E97 WeakPolarHBondContact CB-OE2 3.24Å; Q93-E97 PolarHBondContact N-OE2 3.47Å; T94-E97 PolarHBondContact N-OE2 3.12Å; T94-E97 PolarHBondContact O-N 3.14Å; T94-E97 WeakPolarHBondContact OG1-CG 3.47Å; T94-E97 PolarHBondContact OG1-N 3.32Å; T94-E97 VanDerWaalsContact OG1-N 3.17Å; E97-G100 PolarHBondContact O-N 3.11Å; E97-L101 WeakPolarHBondContact O-CB 3.34Å; E97-L101 PolarHBondContact O-N 3.1Å
98	L	87.3	Confident	79.5	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-59.1	-52.1	178	-174.4	156	0	0	0	110.6	L58 I71 L79 V81 F92 T94 L95 L101 Y102	L58-L98 HydrophobicContact CD2-CD2 4.34Å; I71-L98 HydrophobicContact CD1-CD1 3.83Å; I71-L98 HydrophobicContact CD1-CD2 3.86Å; I71-L98 HydrophobicContact CG1-CD1 4.19Å; I71-L98 HydrophobicContact CG2-CD1 3.76Å; L79-L98 HydrophobicContact CB-CD1 4.45Å; V81-L98 HydrophobicContact CG2-CD1 3.73Å; V81-L98 HydrophobicContact CG2-CD2 4.21Å; V81-L98 HydrophobicContact CG2-CG 4.06Å; F92-L98 HydrophobicContact CB-CB 4.15Å; F92-L98 HydrophobicContact CD1-CB 4.04Å; F92-L98 HydrophobicContact CD2-CB 4.02Å; F92-L98 HydrophobicContact CD2-CD1 3.8Å; F92-L98 HydrophobicContact CD2-CG 3.92Å; F92-L98 HydrophobicContact CE1-CB 4.43Å; F92-L98 HydrophobicContact CE2-CB 4.42Å; F92-L98 HydrophobicContact CE2-CD1 4.21Å; F92-L98 HydrophobicContact CE2-CG 4.03Å; F92-L98 HydrophobicContact CG-CB 3.81Å; F92-L98 HydrophobicContact CG-CD1 4.35Å; F92-L98 HydrophobicContact CG-CG 4.24Å; F92-L98 HydrophobicContact CZ-CG 4.44Å; T94-L98 PolarHBondContact O-N 3.36Å; L95-L98 PolarHBondContact O-N 3.03Å; L98-L101 PolarHBondContact O-N 2.99Å; L98-Y102 HydrophobicContact CD2-CD2 3.86Å; L98-Y102 HydrophobicContact CD2-CE2 4.21Å; L98-Y102 HydrophobicContact CG-CD2 4.06Å; L98-Y102 HydrophobicContact CG-CE2 4.06Å; L98-Y102 WeakPolarHBondContact O-CD2 3.45Å; L98-Y102 PolarHBondContact O-N 2.89Å
99	I	88.7	Confident	80.7	Confident	11 Å²	11	62.6 Å²	62.6	6%	0.056	35%	0.352	C	S	.	.	H	α-helix	trans	-65.1	-41.9	177.5	-63.4	-61.5	0	0	0	111.3	W21 F44 V46 L58 L95 L101 Y102 A103 L113	W21-I99 HydrophobicContact CD2-CG1 4.28Å; W21-I99 HydrophobicContact CE3-CG1 4.13Å; W21-I99 HydrophobicContact CH2-CG1 3.91Å; W21-I99 HydrophobicContact CZ2-CB 4.31Å; W21-I99 HydrophobicContact CZ2-CG1 4.03Å; W21-I99 HydrophobicContact CZ3-CG1 3.95Å; F44-I99 HydrophobicContact CD2-CD1 4.27Å; F44-I99 HydrophobicContact CE2-CD1 4Å; F44-I99 HydrophobicContact CE2-CG2 3.63Å; F44-I99 HydrophobicContact CZ-CG2 3.75Å; V46-I99 HydrophobicContact CG2-CD1 3.68Å; V46-I99 HydrophobicContact CG2-CG1 4.29Å; L58-I99 HydrophobicContact CD1-CD1 3.85Å; L58-I99 HydrophobicContact CD2-CD1 4.3Å; L95-I99 VanDerWaalsContact O-CG1 3.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.22Å; L95-I99 PolarHBondContact O-N 2.91Å; I99-L101 VanDerWaalsContact C-N 3.29Å; I99-L101 PolarHBondContact O-N 2.66Å; I99-Y102 PolarHBondContact O-N 2.9Å; I99-A103 WeakPolarHBondContact O-CB 3.3Å; I99-A103 PolarHBondContact O-N 3.04Å; I99-L113 HydrophobicContact CB-CD1 4.41Å; I99-L113 HydrophobicContact CD1-CD1 3.5Å; I99-L113 VanDerWaalsContact CD1-CD1 3.5Å; I99-L113 HydrophobicContact CG2-CD1 4.08Å
100	G	84.4	Confident	81.5	Confident	44 Å²	44	60.4 Å²	60.4	45%	0.454	34%	0.339	S	S	.	.	H	α-helix	trans	-61.2	-34.1	177.7	0	0	0	0	0	113.8	G96 E97	G96-G100 PolarHBondContact O-N 2.98Å; E97-G100 PolarHBondContact O-N 3.11Å
101	L	85.4	Confident	82.1	Confident	46 Å²	46	57.1 Å²	57.1	24%	0.241	33%	0.33	C	S	.	.	H	α-helix	trans	-74.3	-47.8	173.2	-174.4	140.6	0	0	0	111.7	F92 E97 L98 I99 A103 Q104 Q107	F92-L101 HydrophobicContact CE1-CB 3.91Å; F92-L101 HydrophobicContact CE1-CD1 4.02Å; F92-L101 HydrophobicContact CE1-CD2 4.32Å; F92-L101 HydrophobicContact CE1-CG 4.29Å; F92-L101 HydrophobicContact CZ-CD2 4.2Å; E97-L101 WeakPolarHBondContact O-CB 3.34Å; E97-L101 PolarHBondContact O-N 3.1Å; L98-L101 PolarHBondContact O-N 2.99Å; I99-L101 VanDerWaalsContact C-N 3.29Å; I99-L101 PolarHBondContact O-N 2.66Å; L101-A103 PolarHBondContact O-N 2.8Å; L101-Q104 WeakPolarHBondContact O-CB 3.08Å; L101-Q104 PolarHBondContact O-N 3.23Å; L101-Q107 HydrophobicContact CD2-CB 3.9Å; L101-Q107 HydrophobicContact CD2-CG 4.02Å
102	Y	85.8	Confident	82.4	Confident	8 Å²	8	52.1 Å²	52.1	3%	0.031	31%	0.314	C	S	.	.	H	α-helix	trans	-74.8	-8.7	-177.2	-72	-62.9	0	0	0	114.5	V81 F92 L98 I99 Q104 Q107 L109 L113	V81-Y102 HydrophobicContact CB-CE2 4.4Å; V81-Y102 HydrophobicContact CG2-CD2 4.47Å; V81-Y102 HydrophobicContact CG2-CE2 3.56Å; F92-Y102 AromaticContact CE2-CE2 3.94Å; F92-Y102 HydrophobicContact CE2-CE2 3.94Å; F92-Y102 HydrophobicContact CZ-CD2 4.46Å; F92-Y102 AromaticContact CZ-CE2 3.71Å; F92-Y102 HydrophobicContact CZ-CE2 3.71Å; L98-Y102 HydrophobicContact CD2-CD2 3.86Å; L98-Y102 HydrophobicContact CD2-CE2 4.21Å; L98-Y102 HydrophobicContact CG-CD2 4.06Å; L98-Y102 HydrophobicContact CG-CE2 4.06Å; L98-Y102 WeakPolarHBondContact O-CD2 3.45Å; L98-Y102 PolarHBondContact O-N 2.89Å; I99-Y102 PolarHBondContact O-N 2.9Å; Y102-Q104 PolarHBondContact O-N 3.44Å; Y102-Q107 HydrophobicContact CD1-CB 3.86Å; Y102-Q107 HydrophobicContact CE1-CB 4.17Å; Y102-Q107 WeakPolarHBondContact CE1-O 3.23Å; Y102-L109 HydrophobicContact CD1-CD1 3.89Å; Y102-L109 HydrophobicContact CD1-CD2 4.14Å; Y102-L109 HydrophobicContact CD1-CG 3.56Å; Y102-L109 HydrophobicContact CE1-CD2 4.16Å; Y102-L109 HydrophobicContact CE1-CG 4.03Å; Y102-L109 HydrophobicContact CG-CD1 3.84Å; Y102-L109 HydrophobicContact CG-CG 4.04Å; Y102-L113 PolarHBondContact O-N 3.07Å
103	A	86.4	Confident	82.8	Confident	42 Å²	42	51.7 Å²	51.7	35%	0.347	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.4	163.7	0	0	0	0	0	113.5	I99 L101 L113	I99-A103 WeakPolarHBondContact O-CB 3.3Å; I99-A103 PolarHBondContact O-N 3.04Å; L101-A103 PolarHBondContact O-N 2.8Å; A103-L113 WeakPolarHBondContact CA-O 3.39Å; A103-L113 HydrophobicContact CB-CB 4.44Å
104	Q	79.9	Confident	83.2	Confident	111 Å²	111	50.7 Å²	50.7	52%	0.519	31%	0.311	S	S	.	.	S	Bend	trans	-85.9	144.9	173.6	-56.9	-175	9.8	0	0	111.5	L101 Y102 Q107	L101-Q104 WeakPolarHBondContact O-CB 3.08Å; L101-Q104 PolarHBondContact O-N 3.23Å; Y102-Q104 PolarHBondContact O-N 3.44Å; Q104-Q107 HydrophobicContact CB-CG 3.9Å; Q104-Q107 WeakPolarHBondContact O-CG 3.4Å
105	P	77.4	Confident	83.4	Confident	89 Å²	89	49.6 Å²	49.6	58%	0.578	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	157.2	176.3	27.6	-35	0	0	0	112.5	Q107	P105-Q107 PolarHBondContact O-N 3.5Å; P105-Q107 VanDerWaalsContact O-N 3.15Å
106	N	73.1	Confident	83.7	Confident	165 Å²	165	51.6 Å²	51.6	88%	0.882	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	16.4	174	-58.9	-8.7	0	0	0	116.5	G108	N106-G108 VanDerWaalsContact C-N 3.29Å; N106-G108 PolarHBondContact O-N 3.48Å
107	Q	78.5	Confident	83.9	Confident	44 Å²	44	50.4 Å²	50.4	21%	0.206	30%	0.301	C	S	.	.	S	Bend	trans	-80.3	0.5	-179.7	-61.1	-58.5	-24.6	0	0	115.4	R90 L101 Y102 Q104 P105	R90-Q107 VanDerWaalsContact CZ-OE1 3.3Å; L101-Q107 HydrophobicContact CD2-CB 3.9Å; L101-Q107 HydrophobicContact CD2-CG 4.02Å; Y102-Q107 HydrophobicContact CD1-CB 3.86Å; Y102-Q107 HydrophobicContact CE1-CB 4.17Å; Y102-Q107 WeakPolarHBondContact CE1-O 3.23Å; Q104-Q107 HydrophobicContact CB-CG 3.9Å; Q104-Q107 WeakPolarHBondContact O-CG 3.4Å; P105-Q107 PolarHBondContact O-N 3.5Å; P105-Q107 VanDerWaalsContact O-N 3.15Å
108	G	71	Confident	83.8	Confident	44 Å²	44	52.6 Å²	52.6	45%	0.454	31%	0.311	S	S	.	.	S	Bend	trans	113.7	1.2	173.6	0	0	0	0	0	116.2	N106	N106-G108 VanDerWaalsContact C-N 3.29Å; N106-G108 PolarHBondContact O-N 3.48Å
109	L	81.1	Confident	82.8	Confident	23 Å²	23	54.4 Å²	54.4	12%	0.12	33%	0.33	C	S	.	.	S	Bend	trans	-88.1	166.5	163.5	-55.3	-173.1	0	0	0	110.7	L58 Y69 Y102 C111 L113	L58-L109 HydrophobicContact CD2-CD1 3.91Å; Y69-L109 HydrophobicContact CD1-CD2 3.65Å; Y69-L109 HydrophobicContact CD2-CD2 3.95Å; Y69-L109 HydrophobicContact CE1-CD2 3.64Å; Y69-L109 HydrophobicContact CE2-CB 4.45Å; Y69-L109 HydrophobicContact CE2-CD2 3.94Å; Y69-L109 HydrophobicContact CG-CD2 3.8Å; Y102-L109 HydrophobicContact CD1-CD1 3.89Å; Y102-L109 HydrophobicContact CD1-CD2 4.14Å; Y102-L109 HydrophobicContact CD1-CG 3.56Å; Y102-L109 HydrophobicContact CE1-CD2 4.16Å; Y102-L109 HydrophobicContact CE1-CG 4.03Å; Y102-L109 HydrophobicContact CG-CD1 3.84Å; Y102-L109 HydrophobicContact CG-CG 4.04Å; L109-C111 WeakPolarHBondContact CB-O 3.39Å; L109-C111 PolarHBondContact O-N 3.27Å; L109-L113 HydrophobicContact CD1-CD1 4.47Å; L109-L113 HydrophobicContact CD1-CD2 3.77Å; L109-L113 HydrophobicContact CD1-CG 4.08Å
110	V	81.7	Confident	81.2	Confident	51 Å²	51	61 Å²	61	31%	0.309	36%	0.36	S	S	.	.	S	Bend	trans	-63.1	-29.8	179.1	71.8	0	0	0	0	112.8	Y62 H67 Y69	Y62-V110 HydrophobicContact CD1-CB 4.37Å; Y62-V110 HydrophobicContact CD1-CG1 4.17Å; Y62-V110 HydrophobicContact CD1-CG2 3.37Å; Y62-V110 HydrophobicContact CE1-CG2 3.76Å; Y62-V110 HydrophobicContact CG-CG1 4.02Å; Y62-V110 HydrophobicContact CG-CG2 4.06Å; H67-V110 HydrophobicContact CB-CG1 4.21Å; Y69-V110 WeakPolarHBondContact OH-CB 3.31Å; Y69-V110 WeakPolarHBondContact OH-CG1 3.48Å; Y69-V110 PolarHBondContact OH-N 3.3Å
111	C	85.3	Confident	79.2	Confident	24 Å²	24	70.5 Å²	70.5	16%	0.162	38%	0.383	C	S	.	.	S	Bend	trans	-149.7	167.6	170	62.7	0	0	0	0	109.5	Y62 L109	Y62-C111 HydrophobicContact CD2-CB 3.54Å; Y62-C111 HydrophobicContact CE2-CB 3.92Å; Y62-C111 HydrophobicContact CG-CB 4.23Å; L109-C111 WeakPolarHBondContact CB-O 3.39Å; L109-C111 PolarHBondContact O-N 3.27Å
112	A	88.1	Confident	76.9	Confident	16 Å²	16	76.7 Å²	76.7	13%	0.132	41%	0.41	C	S	.	.			trans	-67.6	153.7	171.1	0	0	0	0	0	111.3	L114	A112-L114 HydrophobicContact CB-CD2 3.95Å; A112-L114 HydrophobicContact CB-CG 4.32Å; A112-L114 PolarHBondContact O-N 3.37Å
113	L	91	Very high	74.6	Confident	6 Å²	6	81.7 Å²	81.7	3%	0.031	44%	0.444	C	S	.	.			trans	-78	108.8	170.4	-54.2	-177.5	0	0	0	109.4	F44 L58 V60 I99 Y102 A103 L109	F44-L113 HydrophobicContact CB-CD2 3.81Å; F44-L113 HydrophobicContact CD1-CB 3.7Å; F44-L113 HydrophobicContact CD1-CD2 4.31Å; F44-L113 HydrophobicContact CD1-CG 4.49Å; F44-L113 HydrophobicContact CD2-CB 4.42Å; F44-L113 HydrophobicContact CD2-CD1 4.19Å; F44-L113 HydrophobicContact CD2-CD2 4.29Å; F44-L113 HydrophobicContact CE1-CB 3.76Å; F44-L113 HydrophobicContact CE2-CB 4.48Å; F44-L113 HydrophobicContact CE2-CD1 4.29Å; F44-L113 HydrophobicContact CG-CB 4.05Å; F44-L113 HydrophobicContact CG-CD1 4.49Å; F44-L113 HydrophobicContact CG-CD2 3.88Å; F44-L113 HydrophobicContact CG-CG 4.35Å; F44-L113 HydrophobicContact CZ-CB 4.16Å; L58-L113 HydrophobicContact CD1-CD1 4.2Å; L58-L113 HydrophobicContact CD1-CD2 4.08Å; L58-L113 HydrophobicContact CD2-CD1 4.12Å; L58-L113 HydrophobicContact CD2-CD2 4.36Å; V60-L113 HydrophobicContact CB-CD2 4.43Å; V60-L113 HydrophobicContact CG1-CD2 4.02Å; V60-L113 HydrophobicContact CG2-CD2 3.47Å; V60-L113 VanDerWaalsContact CG2-CD2 3.47Å; I99-L113 HydrophobicContact CB-CD1 4.41Å; I99-L113 HydrophobicContact CD1-CD1 3.5Å; I99-L113 VanDerWaalsContact CD1-CD1 3.5Å; I99-L113 HydrophobicContact CG2-CD1 4.08Å; Y102-L113 PolarHBondContact O-N 3.07Å; A103-L113 WeakPolarHBondContact CA-O 3.39Å; A103-L113 HydrophobicContact CB-CB 4.44Å; L109-L113 HydrophobicContact CD1-CD1 4.47Å; L109-L113 HydrophobicContact CD1-CD2 3.77Å; L109-L113 HydrophobicContact CD1-CG 4.08Å
114	L	87.1	Confident	72	Confident	111 Å²	111	87.2 Å²	87.2	58%	0.581	47%	0.467	S	S	*	.			trans	-113.1	-34.7	-170.2	-61.8	179.9	0	0	0	114.1	G42 A112	G42-L114 PolarHBondContact O-N 3.28Å; A112-L114 HydrophobicContact CB-CD2 3.95Å; A112-L114 HydrophobicContact CB-CG 4.32Å; A112-L114 PolarHBondContact O-N 3.37Å
115	L	88.9	Confident	69.9	Low	47 Å²	47	87.5 Å²	87.5	25%	0.246	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	106.3	-170.8	-61.5	165.6	0	0	0	110	R40 G42 S43 F44	R40-L115 HydrophobicContact CB-CD1 3.76Å; R40-L115 HydrophobicContact CG-CD1 4.46Å; G42-L115 PolarHBondContact O-N 2.75Å; S43-L115 CarbonylContact C-O 3.58Å; S43-L115 VanDerWaalsContact CA-O 3.27Å; S43-L115 WeakPolarHBondContact CA-O 3.27Å; F44-L115 VanDerWaalsContact CD1-O 3.27Å; F44-L115 WeakPolarHBondContact CD1-O 3.33Å; F44-L115 PolarHBondContact N-O 3.22Å
116	P	89.4	Confident	68.2	Low	67 Å²	67	89.2 Å²	89.2	44%	0.435	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	135.9	172.6	30	-34.5	0	0	0	109.7	W21 F44	W21-P116 HydrophobicContact CB-CB 3.78Å; W21-P116 HydrophobicContact CG-CB 4.44Å; F44-P116 HydrophobicContact CE1-CB 4.18Å; F44-P116 HydrophobicContact CZ-CB 4.06Å
117	V	88.1	Confident	66.3	Low	17 Å²	17	88.4 Å²	88.4	10%	0.103	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-100.4	121.8	174.3	179.6	0	0	0	0	109.3	H23 L34 L35 A38 F44	H23-V117 PolarHBondContact CE1-O 3.23Å; H23-V117 PolarHBondContact NE2-O 2.87Å; L34-V117 HydrophobicContact CB-CG1 4.3Å; L35-V117 HydrophobicContact CD2-CG2 3.94Å; A38-V117 HydrophobicContact CB-CG2 3.86Å; F44-V117 PolarHBondContact O-N 3.22Å
118	E	81.8	Confident	64.4	Low	139 Å²	139	93.9 Å²	93.9	65%	0.65	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-82.5	159.8	176.9	-74	179.4	-179.5	0	0	112.3	A20 H23	A20-E118 HydrophobicContact CB-CG 3.76Å; A20-E118 WeakPolarHBondContact CB-OE1 3.45Å; H23-E118 VanDerWaalsContact CE1-C 3.5Å
119	G	66	Low	62.7	Low	38 Å²	38	102.6 Å²	102.6	39%	0.392	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-92.7	143.5	178.3	0	0	0	0	0	112.4	H23 R121	H23-G119 VanDerWaalsContact CE1-CA 3.49Å; H23-G119 WeakPolarHBondContact CE1-CA 3.4Å; H23-G119 PolarHBondContact CE1-N 3.44Å; H23-G119 VanDerWaalsContact CE1-N 3.28Å; G119-R121 PolarHBondContact O-N 2.89Å
120	E	55.8	Low	60.3	Low	149 Å²	149	109.3 Å²	109.3	70%	0.696	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-63.4	129.7	171.1	-67.2	173.5	-174.1	0	0	109.2	R37	R37-E120 IonicContact CZ-OE1 3.61Å; R37-E120 IonicContact NH1-OE1 2.72Å; R37-E120 PolarHBondContact NH1-OE1 3.38Å; R37-E120 IonicContact NH1-OE2 3.15Å
121	R	41.4	Very low	57.8	Low	243 Å²	243	111 Å²	111	92%	0.917	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-94.4	132.9	173.2	-71.7	-173	-179.4	-176.7	1	109.8	G119	G119-R121 PolarHBondContact O-N 2.89Å
122	E	36.9	Very low	55.2	Low	176 Å²	176	115.1 Å²	115.1	82%	0.822	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-57.2	146.1	164.5	-71.7	-76.2	126.1	0	0	110.8
123	P	36.9	Very low	52.8	Low	114 Å²	114	121.8 Å²	121.8	74%	0.74	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-74.8	143.8	166.9	-7.6	25.1	0	0	0	111.3
124	D	31.7	Very low	50	Low	157 Å²	157	128.5 Å²	128.5	84%	0.84	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-63.6	141.8	174.6	-65.1	-64.7	0	0	0	112
125	P	37.5	Very low	47.5	Very low	117 Å²	117	132.1 Å²	132.1	76%	0.76	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-74.8	145.5	177.1	31.2	-35	0	0	0	111.9
126	P	41.4	Very low	45.1	Very low	126 Å²	126	137.3 Å²	137.3	82%	0.818	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-75.1	142.8	173	31.2	-33.9	0	0	0	112.1
127	D	32.4	Very low	42.2	Very low	147 Å²	147	141.9 Å²	141.9	79%	0.786	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-67	132.8	173.6	-107.5	-19.1	0	0	0	111.8
128	D	39.8	Very low	39.7	Very low	160 Å²	160	150.2 Å²	150.2	86%	0.856	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-74.9	124.2	166.7	-86.3	-45.7	0	0	0	111.2
129	R	34	Very low	37.7	Very low	226 Å²	226	148.8 Å²	148.8	85%	0.853	79%	0.789	S	S	*	*			trans	-144.8	135.5	158	-65.9	-166.1	-171.4	-146.1	-0.4	112.2
130	D	31.8	Very low	36.7	Very low	165 Å²	165	152.9 Å²	152.9	88%	0.882	81%	0.809	S	S	*	*			trans	-58.5	146.8	-179.1	-62	-79.8	0	0	0	114.9
131	A	28.8	Very low	35.5	Very low	87 Å²	87	153.5 Å²	153.5	72%	0.719	82%	0.817	S	S	*	*				153.3	143.1	103.5	0	0	0	0	0	115.1
132	S	31.6	Very low	35.4	Very low	109 Å²	109	147.6 Å²	147.6	76%	0.762	81%	0.809	S	S	*	*			trans	65.2	121.5	155.4	54.4	0	0	0	0	121.8
133	D	35.8	Very low	35.6	Very low	157 Å²	157	145.1 Å²	145.1	84%	0.84	81%	0.809	S	S	*	*			trans	37	112.7	134.8	-51	-15.5	0	0	0	121.7
134	V	33.3	Very low	35.3	Very low	146 Å²	146	151.4 Å²	151.4	89%	0.885	82%	0.818	S	S	*	*				-147.5	139.8	126.1	171.8	0	0	0	0	108.4
135	E	34.7	Very low	35.2	Very low	187 Å²	187	150.1 Å²	150.1	87%	0.874	82%	0.821	S	S	*	*			trans	-94.1	164.9	173.4	-68.4	-172.6	107.7	0	0	113.6
136	D	37.5	Very low	34.7	Very low	157 Å²	157	147.7 Å²	147.7	84%	0.84	82%	0.818	S	S	*	*			trans	96.1	161.4	143.4	-143	5.7	0	0	0	121.3
137	E	28.4	Very low	34.1	Very low	163 Å²	163	147.5 Å²	147.5	76%	0.762	82%	0.819	S	S	*	*			trans	76.6	138.9	173.4	-86.8	-73.3	82	0	0	121.4
138	K	36.5	Very low	33.8	Very low	192 Å²	192	146.3 Å²	146.3	84%	0.835	82%	0.817	S	S	*	*			trans	-162.6	110.3	-172.2	173.3	-128	177.7	175.4	0	115.7
139	P	40.7	Very low	33.2	Very low	108 Å²	108	143.5 Å²	143.5	70%	0.701	81%	0.81	S	S	*	*			trans	-144.7	-178	152.7	38.2	-21	0	0	0	114.3
140	P	44	Very low	33	Very low	124 Å²	124	139.9 Å²	139.9	81%	0.805	81%	0.806	S	S	*	*				-134.7	-171.4	-50	40.6	-24.8	0	0	0	113.8
141	L	31.3	Very low	32.8	Very low	163 Å²	163	137.6 Å²	137.6	85%	0.853	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-91	159.3	173.2	-67.5	163.3	0	0	0	113.1
142	P	39	Very low	32.8	Very low	118 Å²	118	137.9 Å²	137.9	77%	0.766	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-79.2	153.6	165.7	33.3	-34.3	0	0	0	112.8
143	P	40.7	Very low	33.3	Very low	125 Å²	125	138 Å²	138	81%	0.812	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-95.9	167.7	-163	37.1	-38	0	0	0	116.6
144	R	30.2	Very low	33	Very low	245 Å²	245	137.5 Å²	137.5	93%	0.925	81%	0.806	S	S	*	*			trans	-117.1	147.1	159.7	-78	179.5	169.4	172.9	-3.1	109.8
145	S	30.2	Very low	32.7	Very low	131 Å²	131	134 Å²	134	92%	0.916	80%	0.8	S	S	*	*			trans	-141	158.2	163.4	-68	0	0	0	0	110.2
146	G	26	Very low	33.4	Very low	66 Å²	66	130.8 Å²	130.8	68%	0.68	80%	0.795	S	S	*	*			trans	-168	175.3	177.5	0	0	0	0	0	112.6
147	S	29.5	Very low	33	Very low	121 Å²	121	129.5 Å²	129.5	85%	0.846	80%	0.798	S	S	*	*			trans	72.4	146	-172.5	-54.6	0	0	0	0	114
148	T	26.7	Very low	33	Very low	123 Å²	123	126.9 Å²	126.9	76%	0.755	80%	0.798	S	S	*	*			cis	-154.2	141.5	9	-15.8	0	0	0	0	114.1
149	S	26.9	Very low	33.5	Very low	100 Å²	100	123.6 Å²	123.6	70%	0.699	80%	0.796	S	S	*	*			trans	66.2	156	140.9	63.3	0	0	0	0	124.3
150	I	29.3	Very low	33.2	Very low	150 Å²	150	125.2 Å²	125.2	77%	0.769	80%	0.798	S	S	*	*			trans	108.1	102.2	156.1	-56.5	179.8	0	0	0	118
151	S	27.2	Very low	33.3	Very low	117 Å²	117	125.3 Å²	125.3	82%	0.818	80%	0.799	S	S	*	*			trans	60.9	146	141.6	-57.4	0	0	0	0	124.6
152	A	28.4	Very low	33.2	Very low	94 Å²	94	123 Å²	123	78%	0.777	79%	0.791	S	S	*	*			trans	-89.2	-171.6	164.8	0	0	0	0	0	110.1
153	P	42.8	Very low	33.9	Very low	112 Å²	112	122.8 Å²	122.8	73%	0.727	79%	0.79	S	S	*	*			cis	-148.1	-178.9	25.2	45.2	-24	0	0	0	118.9
154	V	29.3	Very low	33.4	Very low	145 Å²	145	124.9 Å²	124.9	88%	0.879	79%	0.789	S	S	*	*			trans	36.4	133.3	140.6	173.6	0	0	0	0	121.7
155	G	27.6	Very low	33.4	Very low	73 Å²	73	119.1 Å²	119.1	75%	0.753	78%	0.782	S	S	*	*			trans	163.8	132.5	150.2	0	0	0	0	0	117
156	P	50.3	Low	34	Very low	120 Å²	120	118 Å²	118	78%	0.779	77%	0.771	S	S	*	*			trans	-120.1	164.3	175.8	41	-31.5	0	0	0	114.9
157	S	27.3	Very low	34.2	Very low	129 Å²	129	120.3 Å²	120.3	90%	0.902	77%	0.772	S	S	*	*			trans	170.5	166.1	135.6	42.7	0	0	0	0	114.7
158	S	30	Very low	34	Very low	109 Å²	109	120.6 Å²	120.6	76%	0.762	77%	0.769	S	S	*	*			trans	-108.8	-169.3	179.4	58.3	0	0	0	0	110.1
159	P	46.9	Very low	34.7	Very low	122 Å²	122	120.6 Å²	120.6	79%	0.792	77%	0.771	S	S	*	*			cis	-145.5	-154.2	14.6	45.4	-22.3	0	0	0	117.1
160	L	33.9	Very low	34.7	Very low	143 Å²	143	120.2 Å²	120.2	75%	0.749	77%	0.774	S	S	*	*			trans	-63.6	166.1	-178.7	-120.3	77.6	0	0	0	116.2	T162	L160-T162 HydrophobicContact CD2-CG2 4.3Å
161	P	45.6	Very low	34.7	Very low	126 Å²	126	118.1 Å²	118.1	82%	0.818	78%	0.779	S	S	*	*				-150.8	-173.2	80.1	40.3	-19.5	0	0	0	118.4
162	T	29.7	Very low	34.8	Very low	113 Å²	113	122.1 Å²	122.1	69%	0.693	79%	0.785	S	S	*	*			trans	-116.6	-165.1	-176	55.3	0	0	0	0	111.2	L160	L160-T162 HydrophobicContact CD2-CG2 4.3Å
163	P	53.2	Low	35	Very low	114 Å²	114	123 Å²	123	74%	0.74	79%	0.785	S	S	*	*			cis	-123.8	-141.1	-8.9	22.8	6.1	0	0	0	112
164	E	30.2	Very low	34.4	Very low	169 Å²	169	124.5 Å²	124.5	79%	0.79	79%	0.792	S	S	*	*			cis	-143.2	-118	9	-68.9	-168.6	82	0	0	115.5
165	T	31.4	Very low	34.9	Very low	125 Å²	125	121.9 Å²	121.9	77%	0.767	78%	0.778	S	S	*	*			trans	-158.7	-179.1	-158.3	47.5	0	0	0	0	110.9
166	P	42.3	Very low	35.8	Very low	107 Å²	107	125.2 Å²	125.2	70%	0.695	78%	0.779	S	S	*	*			cis	-151.2	173.5	23.2	45	-22.3	0	0	0	122.3
167	T	28.9	Very low	36	Very low	115 Å²	115	122 Å²	122	71%	0.706	77%	0.768	S	S	*	*			trans	58.9	104.3	146.2	47.6	0	0	0	0	124.9
168	T	25.9	Very low	37.1	Very low	126 Å²	126	122.9 Å²	122.9	77%	0.773	76%	0.761	S	S	*	*				43.8	154.7	117.4	54.9	0	0	0	0	123.6
169	P	41.2	Very low	38.3	Very low	124 Å²	124	121.4 Å²	121.4	81%	0.805	75%	0.751	S	S	*	*			cis	-127.7	-144.9	-11.3	43.9	-25.8	0	0	0	110.3
170	A	27.3	Very low	39	Very low	92 Å²	92	118.7 Å²	118.7	76%	0.76	73%	0.732	S	S	*	*			cis	-156.6	137.9	-9.5	0	0	0	0	0	109.9
171	A	29.8	Very low	40.6	Very low	105 Å²	105	113.3 Å²	113.3	87%	0.868	71%	0.706	S	S	*	*			trans	-177.2	128.1	151.7	0	0	0	0	0	110
172	E	28.9	Very low	41.5	Very low	202 Å²	202	110.5 Å²	110.5	94%	0.944	69%	0.689	S	S	*	*			trans	-101.8	135.5	-179.2	-65.9	-170.8	135.1	0	0	112.8
173	S	32	Very low	43.4	Very low	113 Å²	113	110.9 Å²	110.9	79%	0.79	68%	0.682	S	S	*	*			trans	-130.1	133.5	158.2	61.3	0	0	0	0	108.5	P175	S173-P175 VanDerWaalsContact O-CD 3.27Å; S173-P175 WeakPolarHBondContact O-CD 3.4Å
174	T	32	Very low	44.2	Very low	142 Å²	142	111.6 Å²	111.6	87%	0.871	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-74.4	116.5	-168.4	48.9	0	0	0	0	112.1
175	P	39.3	Very low	46.6	Very low	91 Å²	91	104.8 Å²	104.8	59%	0.591	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-86.7	153.3	-179.1	35.1	-34.6	0	0	0	112.5	S173 G177 T180	S173-P175 VanDerWaalsContact O-CD 3.27Å; S173-P175 WeakPolarHBondContact O-CD 3.4Å; P175-G177 PolarHBondContact O-N 3.47Å; P175-T180 HydrophobicContact CB-CG2 4.36Å; P175-T180 HydrophobicContact CG-CG2 3.7Å
176	N	46.1	Very low	48.8	Very low	143 Å²	143	104 Å²	104	77%	0.765	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-57.2	121	175.7	-80.3	-31.1	0	0	0	112	L178 S179	N176-L178 PolarHBondContact O-N 3.41Å; N176-S179 VanDerWaalsContact O-CB 3.31Å; N176-S179 WeakPolarHBondContact O-CB 3.49Å; N176-S179 PolarHBondContact O-N 3.15Å
177	G	53.4	Low	50.3	Low	53 Å²	53	107.2 Å²	107.2	55%	0.546	64%	0.637	S	S	.	*	H	α-helix	trans	-63.9	-8.8	-169	0	0	0	0	0	117.6	P175 T180 V181	P175-G177 PolarHBondContact O-N 3.47Å; G177-T180 PolarHBondContact O-OG1 3.08Å; G177-T180 VanDerWaalsContact O-OG1 3.1Å; G177-V181 WeakPolarHBondContact O-CG2 3.39Å
178	L	51.1	Low	52.1	Low	146 Å²	146	104.3 Å²	104.3	76%	0.764	63%	0.63	S	S	*	*	H	α-helix	trans	-82.8	-28.7	169.7	-80.7	163.6	0	0	0	112.8	N176 S182	N176-L178 PolarHBondContact O-N 3.41Å; L178-S182 PolarHBondContact O-N 3.03Å; L178-S182 PolarHBondContact O-OG 3.32Å
179	S	54.5	Low	54.5	Low	78 Å²	78	99.5 Å²	99.5	55%	0.545	60%	0.602	S	S	.	*	H	α-helix	trans	-68.5	-44.8	176.6	-174.2	0	0	0	0	110.8	N176 V181 S182 H183	N176-S179 VanDerWaalsContact O-CB 3.31Å; N176-S179 WeakPolarHBondContact O-CB 3.49Å; N176-S179 PolarHBondContact O-N 3.15Å; S179-V181 PolarHBondContact O-N 2.98Å; S179-S182 PolarHBondContact O-N 2.91Å; S179-H183 WeakPolarHBondContact O-CB 3.48Å; S179-H183 PolarHBondContact O-N 3.41Å
180	T	62.3	Low	56.4	Low	65 Å²	65	98.8 Å²	98.8	40%	0.399	58%	0.584	S	S	.	*	H	α-helix	trans	-61.9	-44.5	-179.6	49.5	0	0	0	0	112.9	P175 G177 S182 H183 E184	P175-T180 HydrophobicContact CB-CG2 4.36Å; P175-T180 HydrophobicContact CG-CG2 3.7Å; G177-T180 PolarHBondContact O-OG1 3.08Å; G177-T180 VanDerWaalsContact O-OG1 3.1Å; T180-S182 PolarHBondContact O-N 2.63Å; T180-H183 PolarHBondContact O-N 2.77Å; T180-E184 VanDerWaalsContact O-CB 3.3Å; T180-E184 WeakPolarHBondContact O-CB 3.45Å; T180-E184 PolarHBondContact O-N 3.08Å
181	V	66.7	Low	58.9	Low	31 Å²	31	96.4 Å²	96.4	19%	0.188	57%	0.568	C	S	.	*	H	α-helix	trans	-62.7	-43	177.4	171.6	0	0	0	0	111.4	G177 S179 E184 Y185 T210 S214	G177-V181 WeakPolarHBondContact O-CG2 3.39Å; S179-V181 PolarHBondContact O-N 2.98Å; V181-E184 PolarHBondContact O-N 3.45Å; V181-Y185 PolarHBondContact O-N 3.35Å; V181-Y185 VanDerWaalsContact O-N 3.08Å; V181-T210 HydrophobicContact CG1-CG2 4.01Å; V181-S214 WeakPolarHBondContact CG1-OG 3.4Å; V181-S214 VanDerWaalsContact CG2-OG 3.23Å; V181-S214 WeakPolarHBondContact CG2-OG 3.24Å
182	S	64.7	Low	61.3	Low	66 Å²	66	95.3 Å²	95.3	46%	0.462	55%	0.547	S	S	.	.	H	α-helix	trans	-63.5	-43.8	178	-54.9	0	0	0	0	111	L178 S179 T180 L186	L178-S182 PolarHBondContact O-N 3.03Å; L178-S182 PolarHBondContact O-OG 3.32Å; S179-S182 PolarHBondContact O-N 2.91Å; T180-S182 PolarHBondContact O-N 2.63Å; S182-L186 WeakPolarHBondContact O-CB 3.36Å; S182-L186 VanDerWaalsContact O-CG 3.27Å; S182-L186 WeakPolarHBondContact O-CG 3.47Å; S182-L186 PolarHBondContact O-N 3.45Å
183	H	69.8	Low	64	Low	121 Å²	121	85.7 Å²	85.7	56%	0.56	50%	0.502	S	S	*	.	H	α-helix	trans	-67.7	-36.8	177.3	-174.9	-93.8	0	0	0	112.8	S179 T180 L186 K187	S179-H183 WeakPolarHBondContact O-CB 3.48Å; S179-H183 PolarHBondContact O-N 3.41Å; T180-H183 PolarHBondContact O-N 2.77Å; H183-L186 PolarHBondContact O-N 2.87Å; H183-K187 WeakPolarHBondContact O-CB 3.45Å; H183-K187 PolarHBondContact O-N 3.22Å
184	E	70.3	Confident	66.2	Low	129 Å²	129	83.5 Å²	83.5	60%	0.603	48%	0.481	S	S	*	.	H	α-helix	trans	-65.6	-43.2	176.2	-174.1	171.4	-143	0	0	111.9	T180 V181 G188	T180-E184 VanDerWaalsContact O-CB 3.3Å; T180-E184 WeakPolarHBondContact O-CB 3.45Å; T180-E184 PolarHBondContact O-N 3.08Å; V181-E184 PolarHBondContact O-N 3.45Å; E184-G188 PolarHBondContact O-N 3.05Å
185	Y	80.7	Confident	68.5	Low	26 Å²	26	83.3 Å²	83.3	10%	0.102	47%	0.47	C	S	.	.	H	α-helix	trans	-61.6	-52.3	171.7	172.6	-106.6	0	0	0	111.8	V181 K187 G188 S189 Y190 L207	V181-Y185 PolarHBondContact O-N 3.35Å; V181-Y185 VanDerWaalsContact O-N 3.08Å; Y185-K187 VanDerWaalsContact C-N 3.31Å; Y185-K187 PolarHBondContact O-N 2.9Å; Y185-G188 PolarHBondContact O-N 2.7Å; Y185-S189 VanDerWaalsContact CD2-CB 3.49Å; Y185-S189 WeakPolarHBondContact O-CA 3.21Å; Y185-S189 PolarHBondContact O-N 2.68Å; Y185-Y190 AromaticContact CE1-CD2 3.95Å; Y185-Y190 HydrophobicContact CE1-CD2 3.95Å; Y185-Y190 HydrophobicContact CE1-CG 4.4Å; Y185-Y190 PolarHBondContact O-N 2.89Å; Y185-L207 HydrophobicContact CD1-CD1 3.97Å; Y185-L207 HydrophobicContact CD2-CB 4.1Å; Y185-L207 HydrophobicContact CD2-CD1 3.88Å; Y185-L207 HydrophobicContact CE1-CD1 3.97Å; Y185-L207 HydrophobicContact CE2-CB 3.49Å; Y185-L207 VanDerWaalsContact CE2-CB 3.49Å; Y185-L207 HydrophobicContact CE2-CD1 3.92Å; Y185-L207 HydrophobicContact CE2-CG 4.22Å; Y185-L207 HydrophobicContact CG-CD1 3.91Å
186	L	77	Confident	70.1	Confident	110 Å²	110	80.6 Å²	80.6	58%	0.576	46%	0.455	S	S	*	.	H	α-helix	trans	-63.3	-34.3	-176.3	-71.9	170	0	0	0	113.1	S182 H183 Y190	S182-L186 WeakPolarHBondContact O-CB 3.36Å; S182-L186 VanDerWaalsContact O-CG 3.27Å; S182-L186 WeakPolarHBondContact O-CG 3.47Å; S182-L186 PolarHBondContact O-N 3.45Å; H183-L186 PolarHBondContact O-N 2.87Å; L186-Y190 HydrophobicContact CD2-CG 4.4Å
187	K	74.8	Confident	71.5	Confident	173 Å²	173	77 Å²	77	75%	0.752	44%	0.438	S	S	*	.	H	α-helix	trans	-82	-25.4	-177.1	-171.9	170.7	179.2	178.3	0	114.4	H183 Y185	H183-K187 WeakPolarHBondContact O-CB 3.45Å; H183-K187 PolarHBondContact O-N 3.22Å; Y185-K187 VanDerWaalsContact C-N 3.31Å; Y185-K187 PolarHBondContact O-N 2.9Å
188	G	67.2	Low	72.6	Confident	55 Å²	55	84.5 Å²	84.5	57%	0.567	45%	0.45	S	S	*	.	H	α-helix	trans	-135.8	-20.4	-172.2	0	0	0	0	0	117.6	E184 Y185	E184-G188 PolarHBondContact O-N 3.05Å; Y185-G188 PolarHBondContact O-N 2.7Å
189	S	75.4	Confident	73.4	Confident	25 Å²	25	81 Å²	81	18%	0.175	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-29.2	-174.5	-73.4	0	0	0	0	114.1	Y185 G191 L192 D193	Y185-S189 VanDerWaalsContact CD2-CB 3.49Å; Y185-S189 WeakPolarHBondContact O-CA 3.21Å; Y185-S189 PolarHBondContact O-N 2.68Å; S189-G191 VanDerWaalsContact C-N 3.32Å; S189-G191 PolarHBondContact O-N 2.84Å; S189-L192 PolarHBondContact O-N 3.03Å; S189-L192 VanDerWaalsContact O-N 3.16Å; S189-D193 PolarHBondContact O-N 3.48Å
190	Y	80.6	Confident	73.8	Confident	109 Å²	109	80.5 Å²	80.5	43%	0.427	46%	0.457	S	S	.	.	H	α-helix	trans	-56.3	-40	-177.3	171.2	-109.7	0	0	0	113.8	Y185 L186 L192 D193 L194	Y185-Y190 AromaticContact CE1-CD2 3.95Å; Y185-Y190 HydrophobicContact CE1-CD2 3.95Å; Y185-Y190 HydrophobicContact CE1-CG 4.4Å; Y185-Y190 PolarHBondContact O-N 2.89Å; L186-Y190 HydrophobicContact CD2-CG 4.4Å; Y190-L192 VanDerWaalsContact C-N 3.34Å; Y190-L192 PolarHBondContact O-N 3.36Å; Y190-D193 PolarHBondContact O-N 3Å; Y190-L194 HydrophobicContact CE1-CD2 4.18Å; Y190-L194 VanDerWaalsContact O-CB 3.31Å; Y190-L194 WeakPolarHBondContact O-CB 3.29Å; Y190-L194 PolarHBondContact O-N 2.94Å
191	G	79.8	Confident	74.1	Confident	41 Å²	41	79 Å²	79	42%	0.423	45%	0.451	S	S	.	.	H	α-helix	trans	-62.4	-38.7	178.6	0	0	0	0	0	113.4	S189 L194 E195	S189-G191 VanDerWaalsContact C-N 3.32Å; S189-G191 PolarHBondContact O-N 2.84Å; G191-L194 PolarHBondContact O-N 3.4Å; G191-E195 PolarHBondContact O-N 3.13Å
192	L	81.1	Confident	74.1	Confident	82 Å²	82	83.7 Å²	83.7	43%	0.429	49%	0.485	S	S	.	.	H	α-helix	trans	-69.6	-42.1	-178.4	-58.9	174.4	0	0	0	111.5	S189 Y190 E195 A196	S189-L192 PolarHBondContact O-N 3.03Å; S189-L192 VanDerWaalsContact O-N 3.16Å; Y190-L192 VanDerWaalsContact C-N 3.34Å; Y190-L192 PolarHBondContact O-N 3.36Å; L192-E195 PolarHBondContact O-N 2.92Å; L192-A196 WeakPolarHBondContact O-CB 3.43Å; L192-A196 PolarHBondContact O-N 3.28Å
193	D	85.7	Confident	74.4	Confident	0 Å²	0	85.3 Å²	85.3	0%	0	49%	0.488	C	S	.	.	H	α-helix	trans	-68.3	-34.6	173.5	-80.2	-17.4	0	0	0	111.8	S189 Y190 A196 V197 L204 P205 H206 L207	S189-D193 PolarHBondContact O-N 3.48Å; Y190-D193 PolarHBondContact O-N 3Å; D193-A196 PolarHBondContact O-N 2.76Å; D193-V197 WeakPolarHBondContact O-CG2 3.29Å; D193-V197 PolarHBondContact O-N 3.43Å; D193-L204 HydrophobicContact CB-CB 4.43Å; D193-L204 HydrophobicContact CB-CD2 3.94Å; D193-L204 VanDerWaalsContact OD1-C 3.31Å; D193-P205 WeakPolarHBondContact OD1-CD 3.49Å; D193-P205 VanDerWaalsContact OD1-N 3.14Å; D193-H206 WeakPolarHBondContact OD1-CB 3.45Å; D193-H206 IonicContact OD1-CD2 3.34Å; D193-H206 PolarHBondContact OD1-CD2 2.76Å; D193-H206 IonicContact OD1-CG 3.76Å; D193-H206 PolarHBondContact OD1-N 3.14Å; D193-H206 PolarHBondContact OD2-N 3.26Å; D193-L207 WeakPolarHBondContact OD2-CB 3.48Å; D193-L207 PolarHBondContact OD2-N 2.89Å
194	L	78.8	Confident	75	Confident	67 Å²	67	82.7 Å²	82.7	35%	0.351	48%	0.478	S	S	.	.	H	α-helix	trans	-66.7	-38.6	176.1	-175	65.8	0	0	0	112.3	Y190 G191 R198	Y190-L194 HydrophobicContact CE1-CD2 4.18Å; Y190-L194 VanDerWaalsContact O-CB 3.31Å; Y190-L194 WeakPolarHBondContact O-CB 3.29Å; Y190-L194 PolarHBondContact O-N 2.94Å; G191-L194 PolarHBondContact O-N 3.4Å; L194-R198 WeakPolarHBondContact O-CG 3.26Å; L194-R198 PolarHBondContact O-N 2.58Å; L194-R198 VanDerWaalsContact O-N 3.08Å
195	E	78.6	Confident	75.2	Confident	139 Å²	139	78.8 Å²	78.8	65%	0.65	46%	0.464	S	S	*	.	H	α-helix	trans	-68.8	-40.9	172.2	-73.7	-175.1	165	0	0	111.9	G191 L192 V197 R198 G199	G191-E195 PolarHBondContact O-N 3.13Å; L192-E195 PolarHBondContact O-N 2.92Å; E195-V197 PolarHBondContact O-N 3.17Å; E195-R198 PolarHBondContact O-N 2.77Å; E195-G199 PolarHBondContact O-N 2.78Å
196	A	74.8	Confident	75.1	Confident	33 Å²	33	80 Å²	80	27%	0.273	47%	0.47	S	S	.	.	H	α-helix	trans	-59.1	-45.4	175.1	0	0	0	0	0	112.1	L192 D193 G199 G200 A201	L192-A196 WeakPolarHBondContact O-CB 3.43Å; L192-A196 PolarHBondContact O-N 3.28Å; D193-A196 PolarHBondContact O-N 2.76Å; A196-G199 CarbonylContact O-C 3.45Å; A196-G199 WeakPolarHBondContact O-CA 3.28Å; A196-G199 PolarHBondContact O-N 2.99Å; A196-G199 VanDerWaalsContact O-N 3.11Å; A196-G200 PolarHBondContact O-N 3.27Å; A196-A201 HydrophobicContact CB-CB 4.06Å; A196-A201 WeakPolarHBondContact O-CB 3.47Å; A196-A201 PolarHBondContact O-N 3.11Å
197	V	74.9	Confident	75.2	Confident	68 Å²	68	77 Å²	77	41%	0.412	46%	0.455	S	S	.	.	H	α-helix	trans	-65.5	-37.9	176	172	0	0	0	0	111.7	D193 E195 G199 G200 L204	D193-V197 WeakPolarHBondContact O-CG2 3.29Å; D193-V197 PolarHBondContact O-N 3.43Å; E195-V197 PolarHBondContact O-N 3.17Å; V197-G199 PolarHBondContact O-N 2.71Å; V197-G200 PolarHBondContact O-N 2.78Å; V197-L204 HydrophobicContact CG2-CD2 3.6Å
198	R	75.9	Confident	75.3	Confident	211 Å²	211	72.6 Å²	72.6	80%	0.796	44%	0.443	S	S	*	.	H	α-helix	trans	-64.4	-28.9	171.6	-76.3	175.9	176.6	-122.2	0.5	112.8	L194 E195 G200	L194-R198 WeakPolarHBondContact O-CG 3.26Å; L194-R198 PolarHBondContact O-N 2.58Å; L194-R198 VanDerWaalsContact O-N 3.08Å; E195-R198 PolarHBondContact O-N 2.77Å; R198-G200 PolarHBondContact O-N 3.2Å
199	G	69.1	Low	75.9	Confident	73 Å²	73	77 Å²	77	75%	0.753	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	1.4	168.7	0	0	0	0	0	114.9	E195 A196 V197	E195-G199 PolarHBondContact O-N 2.78Å; A196-G199 CarbonylContact O-C 3.45Å; A196-G199 WeakPolarHBondContact O-CA 3.28Å; A196-G199 PolarHBondContact O-N 2.99Å; A196-G199 VanDerWaalsContact O-N 3.11Å; V197-G199 PolarHBondContact O-N 2.71Å
200	G	61.2	Low	76	Confident	67 Å²	67	76.9 Å²	76.9	69%	0.691	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	10.5	178.9	0	0	0	0	0	115.4	A196 V197 R198	A196-G200 PolarHBondContact O-N 3.27Å; V197-G200 PolarHBondContact O-N 2.78Å; R198-G200 PolarHBondContact O-N 3.2Å
201	A	69.4	Low	75.6	Confident	34 Å²	34	76 Å²	76	28%	0.281	44%	0.442	S	S	.	.			trans	-67.8	134.9	174.4	0	0	0	0	0	111.6	A196 N203	A196-A201 HydrophobicContact CB-CB 4.06Å; A196-A201 WeakPolarHBondContact O-CB 3.47Å; A196-A201 PolarHBondContact O-N 3.11Å; A201-N203 VanDerWaalsContact C-N 3.34Å
202	S	67.1	Low	75.3	Confident	129 Å²	129	76.5 Å²	76.5	90%	0.902	44%	0.437	S	S	*	.	S	Bend	trans	-93	13.2	178.8	59.9	0	0	0	0	113.9
203	N	71.6	Confident	74.9	Confident	99 Å²	99	75.8 Å²	75.8	53%	0.529	44%	0.436	S	S	.	.	S	Bend	trans	-140.7	162.5	-178.6	61	-3.1	0	0	0	112.1	A201 P205	A201-N203 VanDerWaalsContact C-N 3.34Å; N203-P205 VanDerWaalsContact C-CD 3.42Å; N203-P205 VanDerWaalsContact O-CD 3.22Å; N203-P205 WeakPolarHBondContact O-CD 3.48Å
204	L	81.2	Confident	74.1	Confident	66 Å²	66	77.2 Å²	77.2	35%	0.346	45%	0.446	S	S	.	.			trans	-116.8	70.8	-177.4	-57.6	173.7	0	0	0	109.6	D193 V197 H206 L207 T208	D193-L204 HydrophobicContact CB-CB 4.43Å; D193-L204 HydrophobicContact CB-CD2 3.94Å; D193-L204 VanDerWaalsContact OD1-C 3.31Å; V197-L204 HydrophobicContact CG2-CD2 3.6Å; L204-H206 VanDerWaalsContact C-N 3.26Å; L204-H206 PolarHBondContact O-N 3.29Å; L204-L207 HydrophobicContact CB-CB 3.94Å; L204-L207 HydrophobicContact CB-CD2 4.39Å; L204-L207 HydrophobicContact CD1-CD2 3.82Å; L204-L207 PolarHBondContact O-N 3.46Å; L204-T208 PolarHBondContact O-N 2.95Å; L204-T208 PolarHBondContact O-OG1 3.26Å; L204-T208 VanDerWaalsContact O-OG1 3.07Å
205	P	73.9	Confident	73.5	Confident	48 Å²	48	76.7 Å²	76.7	31%	0.312	45%	0.447	S	S	.	.	H	α-helix	trans	-61	-28.2	-168.7	22.1	-33	0	0	0	114.6	D193 N203 R209	D193-P205 WeakPolarHBondContact OD1-CD 3.49Å; D193-P205 VanDerWaalsContact OD1-N 3.14Å; N203-P205 VanDerWaalsContact C-CD 3.42Å; N203-P205 VanDerWaalsContact O-CD 3.22Å; N203-P205 WeakPolarHBondContact O-CD 3.48Å; P205-R209 WeakPolarHBondContact O-CB 3.43Å; P205-R209 PolarHBondContact O-N 3.32Å; P205-R209 VanDerWaalsContact O-N 3.1Å
206	H	79.4	Confident	73	Confident	51 Å²	51	77.8 Å²	77.8	24%	0.236	45%	0.446	C	S	.	.	H	α-helix	trans	-78.6	-41.5	178.1	-65.9	-107.2	0	0	0	111.6	D193 L204 T208 R209 T210	D193-H206 WeakPolarHBondContact OD1-CB 3.45Å; D193-H206 IonicContact OD1-CD2 3.34Å; D193-H206 PolarHBondContact OD1-CD2 2.76Å; D193-H206 IonicContact OD1-CG 3.76Å; D193-H206 PolarHBondContact OD1-N 3.14Å; D193-H206 PolarHBondContact OD2-N 3.26Å; L204-H206 VanDerWaalsContact C-N 3.26Å; L204-H206 PolarHBondContact O-N 3.29Å; H206-T208 PolarHBondContact O-N 3.1Å; H206-R209 WeakPolarHBondContact O-CB 3.45Å; H206-R209 PolarHBondContact O-N 2.93Å; H206-T210 PolarHBondContact O-N 2.74Å; H206-T210 PolarHBondContact O-OG1 3.34Å
207	L	78.9	Confident	72.5	Confident	48 Å²	48	85.7 Å²	85.7	25%	0.251	47%	0.468	S	S	.	.	H	α-helix	trans	-57.9	-47.1	170.9	-178.5	56	0	0	0	111.3	Y185 D193 L204 R209 T210 L211	Y185-L207 HydrophobicContact CD1-CD1 3.97Å; Y185-L207 HydrophobicContact CD2-CB 4.1Å; Y185-L207 HydrophobicContact CD2-CD1 3.88Å; Y185-L207 HydrophobicContact CE1-CD1 3.97Å; Y185-L207 HydrophobicContact CE2-CB 3.49Å; Y185-L207 VanDerWaalsContact CE2-CB 3.49Å; Y185-L207 HydrophobicContact CE2-CD1 3.92Å; Y185-L207 HydrophobicContact CE2-CG 4.22Å; Y185-L207 HydrophobicContact CG-CD1 3.91Å; D193-L207 WeakPolarHBondContact OD2-CB 3.48Å; D193-L207 PolarHBondContact OD2-N 2.89Å; L204-L207 HydrophobicContact CB-CB 3.94Å; L204-L207 HydrophobicContact CB-CD2 4.39Å; L204-L207 HydrophobicContact CD1-CD2 3.82Å; L204-L207 PolarHBondContact O-N 3.46Å; L207-R209 VanDerWaalsContact C-N 3.32Å; L207-R209 PolarHBondContact O-N 3.41Å; L207-T210 PolarHBondContact O-N 2.85Å; L207-L211 HydrophobicContact CD1-CD1 4.08Å; L207-L211 HydrophobicContact CD1-CG 4.19Å; L207-L211 HydrophobicContact CG-CD1 3.99Å; L207-L211 WeakPolarHBondContact O-CB 3.2Å; L207-L211 WeakPolarHBondContact O-CG 3.45Å; L207-L211 PolarHBondContact O-N 2.68Å
208	T	77.8	Confident	72	Confident	80 Å²	80	88.1 Å²	88.1	49%	0.491	48%	0.478	S	S	.	.	H	α-helix	trans	-59	-43.1	176	-55.1	0	0	0	0	111.3	L204 H206 L211 V212	L204-T208 PolarHBondContact O-N 2.95Å; L204-T208 PolarHBondContact O-OG1 3.26Å; L204-T208 VanDerWaalsContact O-OG1 3.07Å; H206-T208 PolarHBondContact O-N 3.1Å; T208-L211 PolarHBondContact O-N 2.66Å; T208-V212 HydrophobicContact CG2-CG2 4.4Å; T208-V212 WeakPolarHBondContact O-CB 3.44Å; T208-V212 VanDerWaalsContact O-CG2 3.27Å; T208-V212 WeakPolarHBondContact O-CG2 3.07Å; T208-V212 PolarHBondContact O-N 2.93Å
209	R	78.6	Confident	71.4	Confident	147 Å²	147	80.5 Å²	80.5	56%	0.555	45%	0.452	S	S	*	.	H	α-helix	trans	-63	-42.5	177.3	-175.4	-179.2	-67.6	130.9	-0.2	112.4	P205 H206 L207 T213	P205-R209 WeakPolarHBondContact O-CB 3.43Å; P205-R209 PolarHBondContact O-N 3.32Å; P205-R209 VanDerWaalsContact O-N 3.1Å; H206-R209 WeakPolarHBondContact O-CB 3.45Å; H206-R209 PolarHBondContact O-N 2.93Å; L207-R209 VanDerWaalsContact C-N 3.32Å; L207-R209 PolarHBondContact O-N 3.41Å; R209-T213 WeakPolarHBondContact O-CB 3.46Å; R209-T213 PolarHBondContact O-N 3.48Å; R209-T213 VanDerWaalsContact O-N 3.09Å; R209-T213 PolarHBondContact O-OG1 3.05Å
210	T	78.1	Confident	71.1	Confident	22 Å²	22	79.7 Å²	79.7	14%	0.135	44%	0.435	C	S	.	.	H	α-helix	trans	-66	-47.9	177.9	-61	0	0	0	0	111	V181 H206 L207 V212 T213 S214	V181-T210 HydrophobicContact CG1-CG2 4.01Å; H206-T210 PolarHBondContact O-N 2.74Å; H206-T210 PolarHBondContact O-OG1 3.34Å; L207-T210 PolarHBondContact O-N 2.85Å; T210-V212 PolarHBondContact O-N 3.39Å; T210-T213 PolarHBondContact O-N 3.16Å; T210-T213 VanDerWaalsContact O-N 3.13Å; T210-S214 PolarHBondContact O-N 3.17Å; T210-S214 PolarHBondContact O-OG 3Å
211	L	71.5	Confident	70.9	Confident	91 Å²	91	81.1 Å²	81.1	48%	0.476	42%	0.423	S	S	.	.	H	α-helix	trans	-57.7	-48.9	176.1	-71.7	170.1	0	0	0	112.3	L207 T208 T213 S214 C215	L207-L211 HydrophobicContact CD1-CD1 4.08Å; L207-L211 HydrophobicContact CD1-CG 4.19Å; L207-L211 HydrophobicContact CG-CD1 3.99Å; L207-L211 WeakPolarHBondContact O-CB 3.2Å; L207-L211 WeakPolarHBondContact O-CG 3.45Å; L207-L211 PolarHBondContact O-N 2.68Å; T208-L211 PolarHBondContact O-N 2.66Å; L211-T213 PolarHBondContact O-N 3.26Å; L211-S214 PolarHBondContact O-N 3.18Å; L211-C215 WeakPolarHBondContact O-CB 3.26Å; L211-C215 PolarHBondContact O-N 2.75Å; L211-C215 PolarHBondContact O-SG 2.99Å
212	V	74.3	Confident	70.8	Confident	51 Å²	51	82 Å²	82	31%	0.309	43%	0.425	S	S	.	.	H	α-helix	trans	-61.8	-31.5	177.9	169.3	0	0	0	0	112.2	T208 T210 R216	T208-V212 HydrophobicContact CG2-CG2 4.4Å; T208-V212 WeakPolarHBondContact O-CB 3.44Å; T208-V212 VanDerWaalsContact O-CG2 3.27Å; T208-V212 WeakPolarHBondContact O-CG2 3.07Å; T208-V212 PolarHBondContact O-N 2.93Å; T210-V212 PolarHBondContact O-N 3.39Å; V212-R216 WeakPolarHBondContact O-CG 3.37Å; V212-R216 PolarHBondContact O-N 3.41Å; V212-R216 VanDerWaalsContact O-N 3.14Å; V212-R216 PolarHBondContact O-NE 3.46Å
213	T	72	Confident	70.5	Confident	67 Å²	67	79.2 Å²	79.2	41%	0.411	40%	0.4	S	S	.	.	H	α-helix	trans	-73.6	-42	177.1	-57.1	0	0	0	0	111.4	R209 T210 L211 R216 R217	R209-T213 WeakPolarHBondContact O-CB 3.46Å; R209-T213 PolarHBondContact O-N 3.48Å; R209-T213 VanDerWaalsContact O-N 3.09Å; R209-T213 PolarHBondContact O-OG1 3.05Å; T210-T213 PolarHBondContact O-N 3.16Å; T210-T213 VanDerWaalsContact O-N 3.13Å; L211-T213 PolarHBondContact O-N 3.26Å; T213-R216 PolarHBondContact O-N 2.67Å; T213-R217 PolarHBondContact O-N 2.92Å; T213-R217 VanDerWaalsContact O-N 3.11Å
214	S	69.6	Low	70	Confident	30 Å²	30	79.9 Å²	79.9	21%	0.21	40%	0.398	C	S	.	.	H	α-helix	trans	-65.9	-41.2	174.5	-56.8	0	0	0	0	112.5	V181 T210 L211 R216 R217 L218	V181-S214 WeakPolarHBondContact CG1-OG 3.4Å; V181-S214 VanDerWaalsContact CG2-OG 3.23Å; V181-S214 WeakPolarHBondContact CG2-OG 3.24Å; T210-S214 PolarHBondContact O-N 3.17Å; T210-S214 PolarHBondContact O-OG 3Å; L211-S214 PolarHBondContact O-N 3.18Å; S214-R216 VanDerWaalsContact C-N 3.29Å; S214-R216 PolarHBondContact O-N 2.91Å; S214-R217 PolarHBondContact O-N 3.43Å; S214-L218 PolarHBondContact O-N 2.99Å
215	C	65.8	Low	69	Low	56 Å²	56	81 Å²	81	38%	0.378	41%	0.408	S	S	.	.	H	α-helix	trans	-60.6	-36.5	172.7	-69.7	0	0	0	0	112.3	L211 L218 H219	L211-C215 WeakPolarHBondContact O-CB 3.26Å; L211-C215 PolarHBondContact O-N 2.75Å; L211-C215 PolarHBondContact O-SG 2.99Å; C215-L218 PolarHBondContact O-N 2.81Å; C215-H219 WeakPolarHBondContact O-CB 3.47Å; C215-H219 PolarHBondContact O-N 2.67Å
216	R	67.1	Low	68.4	Low	163 Å²	163	79.8 Å²	79.8	62%	0.615	40%	0.399	S	S	*	.	H	α-helix	trans	-69.1	-37.5	174.9	-81.4	-174.3	-71.6	-156.5	2.9	113.4	V212 T213 S214 H219 S220	V212-R216 WeakPolarHBondContact O-CG 3.37Å; V212-R216 PolarHBondContact O-N 3.41Å; V212-R216 VanDerWaalsContact O-N 3.14Å; V212-R216 PolarHBondContact O-NE 3.46Å; T213-R216 PolarHBondContact O-N 2.67Å; S214-R216 VanDerWaalsContact C-N 3.29Å; S214-R216 PolarHBondContact O-N 2.91Å; R216-H219 PolarHBondContact O-N 2.96Å; R216-S220 PolarHBondContact O-N 2.92Å; R216-S220 VanDerWaalsContact O-N 3.14Å
217	R	64.8	Low	67.6	Low	198 Å²	198	80.6 Å²	80.6	75%	0.747	41%	0.41	S	S	*	.	H	α-helix	trans	-60.6	-49	169.9	-84.7	-170.6	170.3	-169.2	-1.3	111.2	T213 S214 H219 S220 E221	T213-R217 PolarHBondContact O-N 2.92Å; T213-R217 VanDerWaalsContact O-N 3.11Å; S214-R217 PolarHBondContact O-N 3.43Å; R217-H219 VanDerWaalsContact C-N 3.3Å; R217-H219 PolarHBondContact O-N 3.42Å; R217-S220 PolarHBondContact O-N 3.13Å; R217-S220 VanDerWaalsContact O-N 3.12Å; R217-E221 PolarHBondContact O-N 2.98Å; R217-E221 VanDerWaalsContact O-N 3.11Å
218	L	64.6	Low	66.4	Low	119 Å²	119	79.9 Å²	79.9	62%	0.623	41%	0.414	S	S	*	.	H	α-helix	trans	-59.6	-40.2	178.5	-176.2	62.2	0	0	0	112.3	S214 C215 S220 E221 V222	S214-L218 PolarHBondContact O-N 2.99Å; C215-L218 PolarHBondContact O-N 2.81Å; L218-S220 VanDerWaalsContact C-N 3.35Å; L218-S220 PolarHBondContact O-N 3.46Å; L218-E221 PolarHBondContact O-N 3Å; L218-V222 WeakPolarHBondContact O-CG2 3.34Å; L218-V222 PolarHBondContact O-N 3.18Å
219	H	64.3	Low	65.6	Low	52 Å²	52	78.6 Å²	78.6	24%	0.241	40%	0.404	C	S	.	.	H	α-helix	trans	-58.9	-45.1	174.9	-152.8	120.4	0	0	0	111.5	C215 R216 R217 E221 V222 D223 Q279	C215-H219 WeakPolarHBondContact O-CB 3.47Å; C215-H219 PolarHBondContact O-N 2.67Å; R216-H219 PolarHBondContact O-N 2.96Å; R217-H219 VanDerWaalsContact C-N 3.3Å; R217-H219 PolarHBondContact O-N 3.42Å; H219-E221 PolarHBondContact O-N 3.02Å; H219-V222 PolarHBondContact O-N 3.38Å; H219-D223 IonicContact CD2-OD2 3.19Å; H219-D223 PolarHBondContact CD2-OD2 2.74Å; H219-D223 IonicContact NE2-OD2 3.34Å; H219-D223 PolarHBondContact O-N 2.91Å; H219-Q279 PolarHBondContact NE2-NE2 3.37Å
220	S	61.1	Low	64.6	Low	56 Å²	56	75.2 Å²	75.2	39%	0.392	39%	0.394	S	S	.	.	H	α-helix	trans	-65.2	-35.8	178.8	-174.8	0	0	0	0	113.2	R216 R217 L218 K224	R216-S220 PolarHBondContact O-N 2.92Å; R216-S220 VanDerWaalsContact O-N 3.14Å; R217-S220 PolarHBondContact O-N 3.13Å; R217-S220 VanDerWaalsContact O-N 3.12Å; L218-S220 VanDerWaalsContact C-N 3.35Å; L218-S220 PolarHBondContact O-N 3.46Å; S220-K224 VanDerWaalsContact O-CG 3.29Å; S220-K224 WeakPolarHBondContact O-CG 3.43Å; S220-K224 PolarHBondContact O-N 3.19Å; S220-K224 VanDerWaalsContact O-N 3.14Å
221	E	58.2	Low	63.9	Low	96 Å²	96	79 Å²	79	45%	0.449	41%	0.412	S	S	.	.	H	α-helix	trans	-69.9	-38.1	173.8	-58.5	-46.3	135	0	0	112.1	R217 L218 H219 K224 V225	R217-E221 PolarHBondContact O-N 2.98Å; R217-E221 VanDerWaalsContact O-N 3.11Å; L218-E221 PolarHBondContact O-N 3Å; H219-E221 PolarHBondContact O-N 3.02Å; E221-K224 PolarHBondContact O-N 3.27Å; E221-K224 IonicContact OE1-NZ 3.34Å; E221-K224 PolarHBondContact OE1-NZ 3.33Å; E221-K224 WeakPolarHBondContact OE2-CD 3.05Å; E221-K224 IonicContact OE2-NZ 3.93Å; E221-K224 PolarHBondContact OE2-NZ 2.73Å; E221-V225 WeakPolarHBondContact O-CG2 3.46Å; E221-V225 PolarHBondContact O-N 3.14Å; E221-V225 VanDerWaalsContact O-N 3.08Å
222	V	66.2	Low	63	Low	53 Å²	53	79.1 Å²	79.1	32%	0.321	41%	0.413	S	S	.	.	H	α-helix	trans	-63.3	-43.3	174.4	171.2	0	0	0	0	111.4	L218 H219 K224 V225 L226	L218-V222 WeakPolarHBondContact O-CG2 3.34Å; L218-V222 PolarHBondContact O-N 3.18Å; H219-V222 PolarHBondContact O-N 3.38Å; V222-K224 PolarHBondContact O-N 3.48Å; V222-V225 PolarHBondContact O-N 2.86Å; V222-L226 HydrophobicContact CG1-CD1 3.89Å; V222-L226 HydrophobicContact CG1-CG 4.35Å; V222-L226 WeakPolarHBondContact O-CG 3.21Å; V222-L226 PolarHBondContact O-N 3.47Å
223	D	61.8	Low	62	Low	70 Å²	70	79.4 Å²	79.4	37%	0.374	42%	0.417	S	S	.	.	H	α-helix	trans	-63.4	-37.8	176.4	-77.5	-26.4	0	0	0	112.5	H219 L226 S227 Q279	H219-D223 IonicContact CD2-OD2 3.19Å; H219-D223 PolarHBondContact CD2-OD2 2.74Å; H219-D223 IonicContact NE2-OD2 3.34Å; H219-D223 PolarHBondContact O-N 2.91Å; D223-L226 PolarHBondContact O-N 3.41Å; D223-S227 VanDerWaalsContact O-CB 3.26Å; D223-S227 WeakPolarHBondContact O-CB 3.43Å; D223-S227 PolarHBondContact O-N 2.81Å; D223-Q279 PolarHBondContact OD1-NE2 2.96Å
224	K	60.1	Low	61.2	Low	113 Å²	113	81.4 Å²	81.4	49%	0.491	42%	0.42	S	S	.	.	H	α-helix	trans	-62	-43.8	173.1	-70.4	167.8	-163.8	172.5	0	111.6	S220 E221 V222 S227 G228	S220-K224 VanDerWaalsContact O-CG 3.29Å; S220-K224 WeakPolarHBondContact O-CG 3.43Å; S220-K224 PolarHBondContact O-N 3.19Å; S220-K224 VanDerWaalsContact O-N 3.14Å; E221-K224 PolarHBondContact O-N 3.27Å; E221-K224 IonicContact OE1-NZ 3.34Å; E221-K224 PolarHBondContact OE1-NZ 3.33Å; E221-K224 WeakPolarHBondContact OE2-CD 3.05Å; E221-K224 IonicContact OE2-NZ 3.93Å; E221-K224 PolarHBondContact OE2-NZ 2.73Å; V222-K224 PolarHBondContact O-N 3.48Å; K224-S227 PolarHBondContact O-N 2.8Å; K224-G228 PolarHBondContact O-N 2.85Å
225	V	60.1	Low	60.3	Low	90 Å²	90	83.7 Å²	83.7	55%	0.545	43%	0.433	S	S	.	.	H	α-helix	trans	-64.8	-43.8	177.9	171.3	0	0	0	0	111.1	E221 V222 G228 L229	E221-V225 WeakPolarHBondContact O-CG2 3.46Å; E221-V225 PolarHBondContact O-N 3.14Å; E221-V225 VanDerWaalsContact O-N 3.08Å; V222-V225 PolarHBondContact O-N 2.86Å; V225-G228 PolarHBondContact O-N 3.26Å; V225-L229 HydrophobicContact CG1-CD1 4.11Å; V225-L229 WeakPolarHBondContact O-CG 3.46Å; V225-L229 PolarHBondContact O-N 2.87Å
226	L	62.5	Low	59.6	Low	23 Å²	23	85.9 Å²	85.9	12%	0.12	44%	0.436	C	S	.	.	H	α-helix	trans	-64.7	-39.1	176.1	-70.8	172.4	0	0	0	112.3	V222 D223 L229 E230 L275	V222-L226 HydrophobicContact CG1-CD1 3.89Å; V222-L226 HydrophobicContact CG1-CG 4.35Å; V222-L226 WeakPolarHBondContact O-CG 3.21Å; V222-L226 PolarHBondContact O-N 3.47Å; D223-L226 PolarHBondContact O-N 3.41Å; L226-L229 PolarHBondContact O-N 2.8Å; L226-E230 PolarHBondContact O-N 2.77Å; L226-L275 HydrophobicContact CD2-CB 4Å; L226-L275 HydrophobicContact CD2-CD1 3.98Å
227	S	62.7	Low	58.8	Low	68 Å²	68	83.6 Å²	83.6	48%	0.476	44%	0.436	S	S	.	.	H	α-helix	trans	-63.8	-43.5	173.5	-173.9	0	0	0	0	111.9	D223 K224 L229 E230 I231	D223-S227 VanDerWaalsContact O-CB 3.26Å; D223-S227 WeakPolarHBondContact O-CB 3.43Å; D223-S227 PolarHBondContact O-N 2.81Å; K224-S227 PolarHBondContact O-N 2.8Å; S227-L229 PolarHBondContact O-N 2.83Å; S227-E230 PolarHBondContact O-N 2.82Å; S227-I231 WeakPolarHBondContact O-CG1 3.5Å; S227-I231 PolarHBondContact O-N 2.8Å
228	G	53.1	Low	58	Low	32 Å²	32	81.8 Å²	81.8	33%	0.33	44%	0.437	S	S	.	.	H	α-helix	trans	-61.1	-41.1	174.2	0	0	0	0	0	113.4	K224 V225 I231 L232	K224-G228 PolarHBondContact O-N 2.85Å; V225-G228 PolarHBondContact O-N 3.26Å; G228-I231 PolarHBondContact O-N 2.79Å; G228-L232 PolarHBondContact O-N 2.91Å
229	L	60.5	Low	57.2	Low	54 Å²	54	83.1 Å²	83.1	28%	0.283	44%	0.439	S	S	.	.	H	α-helix	trans	-65.1	-36.4	173.7	-74.1	165.8	0	0	0	112.4	V225 L226 S227 L232 S233 L268	V225-L229 HydrophobicContact CG1-CD1 4.11Å; V225-L229 WeakPolarHBondContact O-CG 3.46Å; V225-L229 PolarHBondContact O-N 2.87Å; L226-L229 PolarHBondContact O-N 2.8Å; S227-L229 PolarHBondContact O-N 2.83Å; L229-L232 WeakPolarHBondContact O-CB 3.16Å; L229-L232 PolarHBondContact O-N 3.01Å; L229-S233 PolarHBondContact O-N 2.96Å; L229-L268 HydrophobicContact CD2-CD2 4.25Å
230	E	59	Low	56.4	Low	75 Å²	75	85.9 Å²	85.9	35%	0.35	47%	0.465	S	S	.	.	H	α-helix	trans	-74.1	-31.2	176.3	-166.7	174.5	-84.3	0	0	112.8	L226 S227 S233 K234 K272	L226-E230 PolarHBondContact O-N 2.77Å; S227-E230 PolarHBondContact O-N 2.82Å; E230-S233 WeakPolarHBondContact O-CB 3.06Å; E230-S233 PolarHBondContact O-N 3.47Å; E230-K234 HydrophobicContact CG-CD 4.49Å; E230-K234 WeakPolarHBondContact O-CG 3.3Å; E230-K234 PolarHBondContact O-N 3.31Å; E230-K234 VanDerWaalsContact O-N 3.13Å; E230-K234 IonicContact OE2-NZ 3.95Å; E230-K234 PolarHBondContact OE2-NZ 2.76Å; E230-K272 IonicContact OE1-NZ 3.88Å; E230-K272 PolarHBondContact OE1-NZ 3.44Å
231	I	62.3	Low	55.5	Low	101 Å²	101	86.8 Å²	86.8	52%	0.518	47%	0.471	S	S	.	.	H	α-helix	trans	-64.4	-45.8	169.2	-68.9	164.2	0	0	0	110	S227 G228 S233 K234 V235	S227-I231 WeakPolarHBondContact O-CG1 3.5Å; S227-I231 PolarHBondContact O-N 2.8Å; G228-I231 PolarHBondContact O-N 2.79Å; I231-S233 VanDerWaalsContact C-N 3.34Å; I231-S233 PolarHBondContact O-N 3.46Å; I231-K234 PolarHBondContact O-N 2.89Å; I231-V235 WeakPolarHBondContact O-CG2 3.41Å; I231-V235 PolarHBondContact O-N 3.27Å
232	L	52.3	Low	54.9	Low	94 Å²	94	87.4 Å²	87.4	49%	0.492	48%	0.483	S	S	.	.	H	α-helix	trans	-55.4	-47.1	173.6	-89.9	159.3	0	0	0	111.9	G228 L229 K234 V235 F236	G228-L232 PolarHBondContact O-N 2.91Å; L229-L232 WeakPolarHBondContact O-CB 3.16Å; L229-L232 PolarHBondContact O-N 3.01Å; L232-K234 VanDerWaalsContact C-N 3.33Å; L232-K234 PolarHBondContact O-N 3.29Å; L232-V235 PolarHBondContact O-N 3.35Å; L232-F236 HydrophobicContact CD2-CE2 4.1Å; L232-F236 WeakPolarHBondContact O-CD2 3.3Å; L232-F236 PolarHBondContact O-N 2.88Å
233	S	53.1	Low	53.7	Low	57 Å²	57	92.6 Å²	92.6	40%	0.399	51%	0.506	S	S	.	.	H	α-helix	trans	-53.7	-48.5	175.3	-164.9	0	0	0	0	112	L229 E230 I231 V235 F236 D237	L229-S233 PolarHBondContact O-N 2.96Å; E230-S233 WeakPolarHBondContact O-CB 3.06Å; E230-S233 PolarHBondContact O-N 3.47Å; I231-S233 VanDerWaalsContact C-N 3.34Å; I231-S233 PolarHBondContact O-N 3.46Å; S233-V235 VanDerWaalsContact C-N 3.31Å; S233-V235 PolarHBondContact O-N 3.09Å; S233-F236 PolarHBondContact O-N 2.86Å; S233-D237 PolarHBondContact O-N 3.36Å
234	K	55.7	Low	53	Low	109 Å²	109	93.6 Å²	93.6	47%	0.474	51%	0.514	S	S	.	.	H	α-helix	trans	-69	-25.2	-178.6	-70.1	165.7	-174	162.4	0	113.5	E230 I231 L232 Q238	E230-K234 HydrophobicContact CG-CD 4.49Å; E230-K234 WeakPolarHBondContact O-CG 3.3Å; E230-K234 PolarHBondContact O-N 3.31Å; E230-K234 VanDerWaalsContact O-N 3.13Å; E230-K234 IonicContact OE2-NZ 3.95Å; E230-K234 PolarHBondContact OE2-NZ 2.76Å; I231-K234 PolarHBondContact O-N 2.89Å; L232-K234 VanDerWaalsContact C-N 3.33Å; L232-K234 PolarHBondContact O-N 3.29Å; K234-Q238 WeakPolarHBondContact O-CG 3.37Å
235	V	50.6	Low	52.3	Low	79 Å²	79	93.2 Å²	93.2	48%	0.479	52%	0.522	S	S	.	.	H	α-helix	trans	-72.6	-33.8	174.2	168.8	0	0	0	0	111.5	I231 L232 S233	I231-V235 WeakPolarHBondContact O-CG2 3.41Å; I231-V235 PolarHBondContact O-N 3.27Å; L232-V235 PolarHBondContact O-N 3.35Å; S233-V235 VanDerWaalsContact C-N 3.31Å; S233-V235 PolarHBondContact O-N 3.09Å
236	F	51.7	Low	51.5	Low	101 Å²	101	99.9 Å²	99.9	44%	0.443	54%	0.537	S	S	.	.	H	α-helix	trans	-75.7	-36.2	176	-72.8	-68.1	0	0	0	112.9	L232 S233 Q238 Q239	L232-F236 HydrophobicContact CD2-CE2 4.1Å; L232-F236 WeakPolarHBondContact O-CD2 3.3Å; L232-F236 PolarHBondContact O-N 2.88Å; S233-F236 PolarHBondContact O-N 2.86Å; F236-Q238 PolarHBondContact O-N 2.98Å; F236-Q239 PolarHBondContact O-N 2.8Å
237	D	49.3	Very low	50.6	Low	115 Å²	115	106 Å²	106	62%	0.615	57%	0.569	S	S	*	*	H	α-helix	trans	-59	-31	174.9	-74.6	-37.4	0	0	0	113.4	S233 Q239 S240	S233-D237 PolarHBondContact O-N 3.36Å; D237-Q239 VanDerWaalsContact C-N 3.3Å; D237-Q239 PolarHBondContact O-N 3.4Å; D237-S240 PolarHBondContact O-OG 2.74Å
238	Q	48.5	Very low	49.7	Very low	161 Å²	161	109.3 Å²	109.3	75%	0.752	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-0.8	-174	-76.5	-170.6	-6.9	0	0	115.7	K234 F236 S240	K234-Q238 WeakPolarHBondContact O-CG 3.37Å; F236-Q238 PolarHBondContact O-N 2.98Å; Q238-S240 PolarHBondContact O-N 3.42Å
239	Q	47.3	Very low	49.4	Very low	146 Å²	146	116.5 Å²	116.5	68%	0.682	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	5.1	-178.8	-60.8	-161.7	1.6	0	0	114.8	F236 D237 S241	F236-Q239 PolarHBondContact O-N 2.8Å; D237-Q239 VanDerWaalsContact C-N 3.3Å; D237-Q239 PolarHBondContact O-N 3.4Å; Q239-S241 VanDerWaalsContact C-N 3.32Å; Q239-S241 PolarHBondContact O-N 2.79Å; Q239-S241 VanDerWaalsContact O-N 3.08Å
240	S	48.3	Very low	48.7	Very low	111 Å²	111	121.9 Å²	121.9	78%	0.776	63%	0.63	S	S	*	*			trans	-84.4	55.7	-179.1	47.9	0	0	0	0	114	D237 Q238	D237-S240 PolarHBondContact O-OG 2.74Å; Q238-S240 PolarHBondContact O-N 3.42Å
241	S	42.5	Very low	47.7	Very low	74 Å²	74	127.4 Å²	127.4	52%	0.517	66%	0.655	S	S	.	*			trans	-101.6	139.4	-178	-175.9	0	0	0	0	113.8	Q239 M243	Q239-S241 VanDerWaalsContact C-N 3.32Å; Q239-S241 PolarHBondContact O-N 2.79Å; Q239-S241 VanDerWaalsContact O-N 3.08Å; S241-M243 PolarHBondContact O-N 3.07Å
242	P	44.5	Very low	46.7	Very low	109 Å²	109	127.5 Å²	127.5	71%	0.708	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-2.3	-167.8	-22.1	34	0	0	0	117.4
243	M	42.6	Very low	46	Very low	162 Å²	162	130.8 Å²	130.8	80%	0.798	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-27.2	-175.2	-159.9	167.7	-175.3	0	0	112.9	S241	S241-M243 PolarHBondContact O-N 3.07Å
244	V	45.4	Very low	45.8	Very low	91 Å²	91	133.2 Å²	133.2	55%	0.552	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-68	-35.4	-179.4	-176.5	0	0	0	0	111.7	R246 L247 L248	V244-R246 PolarHBondContact O-N 2.8Å; V244-L247 PolarHBondContact O-N 3.03Å; V244-L248 HydrophobicContact CG1-CD1 4.22Å
245	T	45.4	Very low	45.6	Very low	106 Å²	106	135.6 Å²	135.6	65%	0.65	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-60.4	-21	-176.3	-39.3	0	0	0	0	113.6
246	R	43.9	Very low	45.8	Very low	230 Å²	230	137.1 Å²	137.1	87%	0.868	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-82.5	-19.7	177	-84.2	-171.7	174.4	176.2	-0.1	115.2	V244	V244-R246 PolarHBondContact O-N 2.8Å
247	L	44.2	Very low	45.9	Very low	151 Å²	151	134.6 Å²	134.6	79%	0.791	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-20.3	174.5	-93.6	100.2	0	0	0	113.2	V244 Q249	V244-L247 PolarHBondContact O-N 3.03Å; L247-Q249 VanDerWaalsContact C-N 3.33Å; L247-Q249 PolarHBondContact O-N 2.79Å
248	L	43.9	Very low	46.2	Very low	137 Å²	137	135.3 Å²	135.3	72%	0.717	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	9.5	-174.5	-76.8	164.9	0	0	0	115.1	V244	V244-L248 HydrophobicContact CG1-CD1 4.22Å
249	Q	45.7	Very low	46.5	Very low	183 Å²	183	134.9 Å²	134.9	86%	0.855	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	13.9	177.9	-159.7	159.8	74.8	0	0	113.8	L247	L247-Q249 VanDerWaalsContact C-N 3.33Å; L247-Q249 PolarHBondContact O-N 2.79Å
250	Q	46.2	Very low	46.7	Very low	168 Å²	168	135.1 Å²	135.1	79%	0.785	72%	0.72	S	S	*	*	S	Bend	trans	-135.7	133.3	165.6	-73.5	-167.9	-21.8	0	0	112.1
251	Q	38.7	Very low	47.2	Very low	190 Å²	190	134.3 Å²	134.3	89%	0.888	71%	0.706	S	S	*	*			trans	70.2	163	172.8	-58	-178.9	-8.2	0	0	115.7
252	S	40.9	Very low	47.8	Very low	103 Å²	103	137.6 Å²	137.6	72%	0.72	71%	0.714	S	S	*	*			trans	-144.6	123.7	-136.2	55.1	0	0	0	0	115.9
253	L	38.4	Very low	48.1	Very low	164 Å²	164	134.6 Å²	134.6	86%	0.859	70%	0.695	S	S	*	*			trans	62.5	162.4	169.2	-82.9	90.3	0	0	0	116.7
254	P	47.2	Very low	49	Very low	107 Å²	107	131.3 Å²	131.3	70%	0.695	68%	0.68	S	S	*	*			cis	-110	171.5	-2.5	39.6	-30.1	0	0	0	114.2
255	Q	53.1	Low	49.9	Very low	160 Å²	160	130.6 Å²	130.6	75%	0.748	68%	0.676	S	S	*	*			trans	-88.2	124.1	176.7	-65.3	172.3	-80.4	0	0	111.7	E258	Q255-E258 PolarHBondContact NE2-OE2 2.74Å
256	T	53.8	Low	50.6	Low	110 Å²	110	131.5 Å²	131.5	68%	0.675	68%	0.676	S	S	*	*			trans	-143.6	-39	167.5	47	0	0	0	0	113.3	E258	T256-E258 PolarHBondContact O-N 3.48Å
257	G	55.3	Low	51.1	Low	48 Å²	48	126.9 Å²	126.9	50%	0.495	66%	0.663	S	S	.	*	H	α-helix	trans	-66.8	-27.1	-171.2	0	0	0	0	0	116.7	E260 L261	G257-E260 PolarHBondContact O-N 3.5Å; G257-L261 PolarHBondContact O-N 3.06Å
258	E	54.8	Low	51.9	Low	130 Å²	130	123.3 Å²	123.3	61%	0.607	64%	0.644	S	S	*	*	H	α-helix	trans	-65.6	-41.5	-176.5	-65	177.3	124.9	0	0	111.9	Q255 T256 E260 L261 E262	Q255-E258 PolarHBondContact NE2-OE2 2.74Å; T256-E258 PolarHBondContact O-N 3.48Å; E258-E260 PolarHBondContact O-N 3.21Å; E258-L261 PolarHBondContact O-N 3.32Å; E258-E262 PolarHBondContact O-N 2.78Å; E258-E262 VanDerWaalsContact O-N 3.13Å
259	Q	53.6	Low	52.5	Low	152 Å²	152	119.5 Å²	119.5	71%	0.71	63%	0.629	S	S	*	*	H	α-helix	trans	-69.4	-30.9	-178.9	-69.4	-172.6	-8	0	0	113.3	S263	Q259-S263 VanDerWaalsContact O-CB 3.22Å; Q259-S263 WeakPolarHBondContact O-CB 3.5Å; Q259-S263 PolarHBondContact O-N 2.43Å
260	E	53.3	Low	52.9	Low	151 Å²	151	115.3 Å²	115.3	71%	0.706	62%	0.616	S	S	*	*	H	α-helix	trans	-69.6	-37.6	176.4	-65	-163.1	136.1	0	0	111.6	G257 E258 S263 L264	G257-E260 PolarHBondContact O-N 3.5Å; E258-E260 PolarHBondContact O-N 3.21Å; E260-S263 WeakPolarHBondContact O-CB 3.2Å; E260-S263 PolarHBondContact O-N 3.39Å; E260-L264 WeakPolarHBondContact O-CB 3.41Å; E260-L264 PolarHBondContact O-N 3.1Å
261	L	57.3	Low	53.2	Low	94 Å²	94	111.4 Å²	111.4	49%	0.492	60%	0.599	S	S	.	*	H	α-helix	trans	-68.2	-46.2	177	-172.7	61	0	0	0	111.6	G257 E258 S263 L264 V265	G257-L261 PolarHBondContact O-N 3.06Å; E258-L261 PolarHBondContact O-N 3.32Å; L261-S263 VanDerWaalsContact C-N 3.31Å; L261-S263 PolarHBondContact O-N 3.11Å; L261-L264 PolarHBondContact O-N 3.39Å; L261-V265 WeakPolarHBondContact O-CG2 3.44Å; L261-V265 PolarHBondContact O-N 3.21Å
262	E	56.3	Low	54.5	Low	144 Å²	144	106.2 Å²	106.2	67%	0.673	57%	0.574	S	S	*	*	H	α-helix	trans	-59	-42.2	172.5	-70.6	-170.5	147.6	0	0	111.7	E258 L264 V265 L266	E258-E262 PolarHBondContact O-N 2.78Å; E258-E262 VanDerWaalsContact O-N 3.13Å; E262-L264 VanDerWaalsContact C-N 3.3Å; E262-L264 PolarHBondContact O-N 2.94Å; E262-V265 PolarHBondContact O-N 3.47Å; E262-L266 WeakPolarHBondContact O-CB 3.41Å; E262-L266 PolarHBondContact O-N 3.29Å
263	S	51.1	Low	55.1	Low	46 Å²	46	106 Å²	106	32%	0.322	57%	0.565	S	S	.	*	H	α-helix	trans	-60.9	-38.4	176.4	-164.6	0	0	0	0	112.4	Q259 E260 L261 K267	Q259-S263 VanDerWaalsContact O-CB 3.22Å; Q259-S263 WeakPolarHBondContact O-CB 3.5Å; Q259-S263 PolarHBondContact O-N 2.43Å; E260-S263 WeakPolarHBondContact O-CB 3.2Å; E260-S263 PolarHBondContact O-N 3.39Å; L261-S263 VanDerWaalsContact C-N 3.31Å; L261-S263 PolarHBondContact O-N 3.11Å; S263-K267 WeakPolarHBondContact O-CB 3.34Å; S263-K267 VanDerWaalsContact O-CD 3.25Å; S263-K267 WeakPolarHBondContact O-CD 3.43Å; S263-K267 WeakPolarHBondContact O-CG 3.39Å; S263-K267 PolarHBondContact O-N 2.7Å; S263-K267 VanDerWaalsContact O-N 3.12Å; S263-K267 WeakPolarHBondContact OG-CE 3.3Å; S263-K267 PolarHBondContact OG-NZ 2.73Å
264	L	59.8	Low	55.6	Low	92 Å²	92	104.6 Å²	104.6	48%	0.482	55%	0.552	S	S	.	*	H	α-helix	trans	-71	-44.3	178.2	-175.4	62	0	0	0	112	E260 L261 E262 L266 K267 L268	E260-L264 WeakPolarHBondContact O-CB 3.41Å; E260-L264 PolarHBondContact O-N 3.1Å; L261-L264 PolarHBondContact O-N 3.39Å; E262-L264 VanDerWaalsContact C-N 3.3Å; E262-L264 PolarHBondContact O-N 2.94Å; L264-L266 PolarHBondContact O-N 3.19Å; L264-K267 PolarHBondContact O-N 3.24Å; L264-L268 HydrophobicContact CG-CD1 4.23Å; L264-L268 WeakPolarHBondContact O-CG 3.41Å; L264-L268 PolarHBondContact O-N 3.04Å
265	V	65.8	Low	56	Low	77 Å²	77	102.1 Å²	102.1	47%	0.467	53%	0.532	S	S	.	.	H	α-helix	trans	-61.1	-43.9	175.8	172.5	0	0	0	0	110.9	L261 E262 K267 L268 S269	L261-V265 WeakPolarHBondContact O-CG2 3.44Å; L261-V265 PolarHBondContact O-N 3.21Å; E262-V265 PolarHBondContact O-N 3.47Å; V265-K267 PolarHBondContact O-N 2.87Å; V265-L268 PolarHBondContact O-N 3.26Å; V265-S269 PolarHBondContact O-N 2.98Å
266	L	59.7	Low	56.3	Low	124 Å²	124	95.8 Å²	95.8	65%	0.649	51%	0.506	S	S	*	.	H	α-helix	trans	-62.1	-43.5	177.3	-166.5	73.2	0	0	0	111.9	E262 L264 L268 S269 V270	E262-L266 WeakPolarHBondContact O-CB 3.41Å; E262-L266 PolarHBondContact O-N 3.29Å; L264-L266 PolarHBondContact O-N 3.19Å; L266-L268 PolarHBondContact O-N 2.91Å; L266-S269 PolarHBondContact O-N 3.03Å; L266-V270 WeakPolarHBondContact O-CG2 3.38Å; L266-V270 PolarHBondContact O-N 3.09Å
267	K	53.2	Low	56.1	Low	134 Å²	134	91.9 Å²	91.9	58%	0.583	49%	0.487	S	S	*	.	H	α-helix	trans	-62.2	-40.9	175.5	-74.1	161.2	-175.7	149.1	0	112.1	S263 L264 V265 V270 L271	S263-K267 WeakPolarHBondContact O-CB 3.34Å; S263-K267 VanDerWaalsContact O-CD 3.25Å; S263-K267 WeakPolarHBondContact O-CD 3.43Å; S263-K267 WeakPolarHBondContact O-CG 3.39Å; S263-K267 PolarHBondContact O-N 2.7Å; S263-K267 VanDerWaalsContact O-N 3.12Å; S263-K267 WeakPolarHBondContact OG-CE 3.3Å; S263-K267 PolarHBondContact OG-NZ 2.73Å; L264-K267 PolarHBondContact O-N 3.24Å; V265-K267 PolarHBondContact O-N 2.87Å; K267-V270 PolarHBondContact O-N 2.91Å; K267-L271 PolarHBondContact O-N 3.22Å
268	L	62.5	Low	56.1	Low	75 Å²	75	93.8 Å²	93.8	39%	0.393	49%	0.485	S	S	.	.	H	α-helix	trans	-66.2	-39.2	176.3	-75.6	166.5	0	0	0	112.3	L229 L264 V265 L266 L271 K272	L229-L268 HydrophobicContact CD2-CD2 4.25Å; L264-L268 HydrophobicContact CG-CD1 4.23Å; L264-L268 WeakPolarHBondContact O-CG 3.41Å; L264-L268 PolarHBondContact O-N 3.04Å; V265-L268 PolarHBondContact O-N 3.26Å; L266-L268 PolarHBondContact O-N 2.91Å; L268-L271 PolarHBondContact O-N 3.36Å; L268-K272 WeakPolarHBondContact O-CB 3.41Å; L268-K272 PolarHBondContact O-N 3.44Å
269	S	55.8	Low	56	Low	58 Å²	58	89.9 Å²	89.9	41%	0.406	47%	0.467	S	S	.	.	H	α-helix	trans	-62.4	-48.7	173.7	-164.3	0	0	0	0	111.7	V265 L266 L271 K272 D273	V265-S269 PolarHBondContact O-N 2.98Å; L266-S269 PolarHBondContact O-N 3.03Å; S269-L271 PolarHBondContact O-N 3.35Å; S269-K272 WeakPolarHBondContact O-CB 3.31Å; S269-K272 PolarHBondContact O-N 3.09Å; S269-K272 VanDerWaalsContact O-N 3.09Å; S269-D273 PolarHBondContact O-N 3Å
270	V	53.2	Low	56.1	Low	95 Å²	95	89.6 Å²	89.6	58%	0.576	46%	0.464	S	S	*	.	H	α-helix	trans	-58.3	-38.4	177.4	171.5	0	0	0	0	111.6	L266 K267 F274	L266-V270 WeakPolarHBondContact O-CG2 3.38Å; L266-V270 PolarHBondContact O-N 3.09Å; K267-V270 PolarHBondContact O-N 2.91Å; V270-F274 VanDerWaalsContact O-CB 3.3Å; V270-F274 WeakPolarHBondContact O-CB 3.36Å; V270-F274 PolarHBondContact O-N 3.01Å
271	L	53.8	Low	55.9	Low	85 Å²	85	90.2 Å²	90.2	45%	0.445	46%	0.464	S	S	.	.	H	α-helix	trans	-67.5	-42.3	175.9	-165.4	71.5	0	0	0	112.2	K267 L268 S269 F274 L275	K267-L271 PolarHBondContact O-N 3.22Å; L268-L271 PolarHBondContact O-N 3.36Å; S269-L271 PolarHBondContact O-N 3.35Å; L271-F274 PolarHBondContact O-N 3.42Å; L271-L275 HydrophobicContact CG-CD1 4.23Å; L271-L275 WeakPolarHBondContact O-CB 3.49Å; L271-L275 VanDerWaalsContact O-CG 3.3Å; L271-L275 WeakPolarHBondContact O-CG 3.49Å; L271-L275 PolarHBondContact O-N 2.9Å
272	K	64.9	Low	55.7	Low	82 Å²	82	88 Å²	88	36%	0.357	46%	0.459	S	S	.	.	H	α-helix	trans	-59.8	-46.7	175.1	-174.6	-176.4	-174.6	179	0	111.4	E230 L268 S269 L275 S276	E230-K272 IonicContact OE1-NZ 3.88Å; E230-K272 PolarHBondContact OE1-NZ 3.44Å; L268-K272 WeakPolarHBondContact O-CB 3.41Å; L268-K272 PolarHBondContact O-N 3.44Å; S269-K272 WeakPolarHBondContact O-CB 3.31Å; S269-K272 PolarHBondContact O-N 3.09Å; S269-K272 VanDerWaalsContact O-N 3.09Å; K272-L275 PolarHBondContact O-N 2.96Å; K272-S276 PolarHBondContact O-N 3.31Å
273	D	55.1	Low	55.5	Low	97 Å²	97	84.8 Å²	84.8	52%	0.519	45%	0.446	S	S	.	.	H	α-helix	trans	-65.1	-44.2	180	-71.9	-42.2	0	0	0	111.7	S269 S276 G277	S269-D273 PolarHBondContact O-N 3Å; D273-S276 PolarHBondContact O-N 3.47Å; D273-S276 PolarHBondContact O-OG 3.27Å; D273-S276 VanDerWaalsContact O-OG 3.09Å; D273-G277 PolarHBondContact O-N 3.24Å
274	F	48.3	Very low	55.5	Low	136 Å²	136	88.6 Å²	88.6	60%	0.596	46%	0.457	S	S	*	.	H	α-helix	trans	-59.9	-46.1	176.1	-176.4	-104.5	0	0	0	112.3	V270 L271 G277 I278	V270-F274 VanDerWaalsContact O-CB 3.3Å; V270-F274 WeakPolarHBondContact O-CB 3.36Å; V270-F274 PolarHBondContact O-N 3.01Å; L271-F274 PolarHBondContact O-N 3.42Å; F274-G277 PolarHBondContact O-N 3.22Å; F274-I278 HydrophobicContact CD1-CD1 3.99Å; F274-I278 HydrophobicContact CE1-CD1 3.55Å; F274-I278 HydrophobicContact CZ-CD1 3.97Å; F274-I278 PolarHBondContact O-N 3.25Å
275	L	56.5	Low	55	Low	54 Å²	54	86.6 Å²	86.6	28%	0.283	45%	0.454	S	S	.	.	H	α-helix	trans	-64.9	-42.3	177.1	-71.2	170.3	0	0	0	112.1	L226 L271 K272 G277 I278 Q279	L226-L275 HydrophobicContact CD2-CB 4Å; L226-L275 HydrophobicContact CD2-CD1 3.98Å; L271-L275 HydrophobicContact CG-CD1 4.23Å; L271-L275 WeakPolarHBondContact O-CB 3.49Å; L271-L275 VanDerWaalsContact O-CG 3.3Å; L271-L275 WeakPolarHBondContact O-CG 3.49Å; L271-L275 PolarHBondContact O-N 2.9Å; K272-L275 PolarHBondContact O-N 2.96Å; L275-G277 VanDerWaalsContact C-N 3.26Å; L275-G277 PolarHBondContact O-N 3.22Å; L275-I278 PolarHBondContact O-N 3.38Å; L275-I278 VanDerWaalsContact O-N 3.17Å; L275-Q279 PolarHBondContact O-N 3.17Å
276	S	59.4	Low	54.2	Low	28 Å²	28	85.8 Å²	85.8	20%	0.196	45%	0.446	C	S	.	.	H	α-helix	trans	-64.4	-31.7	174.2	91.1	0	0	0	0	112.4	K272 D273 Q279 K280	K272-S276 PolarHBondContact O-N 3.31Å; D273-S276 PolarHBondContact O-N 3.47Å; D273-S276 PolarHBondContact O-OG 3.27Å; D273-S276 VanDerWaalsContact O-OG 3.09Å; S276-Q279 PolarHBondContact O-N 3.17Å; S276-K280 WeakPolarHBondContact O-CB 3.29Å; S276-K280 WeakPolarHBondContact O-CG 3.49Å; S276-K280 PolarHBondContact O-N 2.97Å
277	G	48.2	Very low	53.7	Low	27 Å²	27	85.2 Å²	85.2	28%	0.278	44%	0.44	S	S	.	.	H	α-helix	trans	-66.4	-37	173.6	0	0	0	0	0	112.9	D273 F274 L275 K281	D273-G277 PolarHBondContact O-N 3.24Å; F274-G277 PolarHBondContact O-N 3.22Å; L275-G277 VanDerWaalsContact C-N 3.26Å; L275-G277 PolarHBondContact O-N 3.22Å; G277-K281 VanDerWaalsContact O-CG 3.3Å; G277-K281 WeakPolarHBondContact O-CG 3.49Å; G277-K281 PolarHBondContact O-N 2.87Å
278	I	54.6	Low	53.4	Low	88 Å²	88	83.2 Å²	83.2	45%	0.451	44%	0.436	S	S	.	.	H	α-helix	trans	-69.1	-46.7	171.5	-67.9	171.4	0	0	0	110.3	F274 L275 K280 K281 A282	F274-I278 HydrophobicContact CD1-CD1 3.99Å; F274-I278 HydrophobicContact CE1-CD1 3.55Å; F274-I278 HydrophobicContact CZ-CD1 3.97Å; F274-I278 PolarHBondContact O-N 3.25Å; L275-I278 PolarHBondContact O-N 3.38Å; L275-I278 VanDerWaalsContact O-N 3.17Å; I278-K280 PolarHBondContact O-N 2.91Å; I278-K281 PolarHBondContact O-N 2.89Å; I278-K281 VanDerWaalsContact O-N 3.16Å; I278-A282 WeakPolarHBondContact O-CB 3.39Å; I278-A282 PolarHBondContact O-N 3.11Å
279	Q	53.2	Low	52.6	Low	49 Å²	49	86.2 Å²	86.2	23%	0.229	45%	0.45	C	S	.	.	H	α-helix	trans	-55.5	-47.8	178.1	-171.6	179.2	21.8	0	0	111.8	H219 D223 L275 S276 K281 A282 L283	H219-Q279 PolarHBondContact NE2-NE2 3.37Å; D223-Q279 PolarHBondContact OD1-NE2 2.96Å; L275-Q279 PolarHBondContact O-N 3.17Å; S276-Q279 PolarHBondContact O-N 3.17Å; Q279-K281 PolarHBondContact O-N 3.37Å; Q279-A282 PolarHBondContact O-N 3Å; Q279-L283 WeakPolarHBondContact O-CB 3.42Å; Q279-L283 PolarHBondContact O-N 2.79Å
280	K	57.3	Low	52	Low	146 Å²	146	88.3 Å²	88.3	64%	0.635	46%	0.464	S	S	*	.	H	α-helix	trans	-62.4	-40	176.9	-74.6	166	-179	161.3	0	112.9	S276 I278 K284	S276-K280 WeakPolarHBondContact O-CB 3.29Å; S276-K280 WeakPolarHBondContact O-CG 3.49Å; S276-K280 PolarHBondContact O-N 2.97Å; I278-K280 PolarHBondContact O-N 2.91Å; K280-K284 WeakPolarHBondContact O-CB 3.47Å; K280-K284 PolarHBondContact O-N 2.85Å
281	K	48.3	Very low	51.4	Low	164 Å²	164	88 Å²	88	71%	0.713	47%	0.466	S	S	*	.	H	α-helix	trans	-67.7	-42.8	176.8	-74.7	172.8	-179.2	177.4	0	112	G277 I278 Q279 K284 A285	G277-K281 VanDerWaalsContact O-CG 3.3Å; G277-K281 WeakPolarHBondContact O-CG 3.49Å; G277-K281 PolarHBondContact O-N 2.87Å; I278-K281 PolarHBondContact O-N 2.89Å; I278-K281 VanDerWaalsContact O-N 3.16Å; Q279-K281 PolarHBondContact O-N 3.37Å; K281-K284 PolarHBondContact O-N 2.87Å; K281-A285 PolarHBondContact O-N 3.09Å
282	A	52.6	Low	50.6	Low	46 Å²	46	89.4 Å²	89.4	38%	0.38	48%	0.478	S	S	.	.	H	α-helix	trans	-66.2	-42.6	176.3	0	0	0	0	0	112.1	I278 Q279 K284 A285 L286	I278-A282 WeakPolarHBondContact O-CB 3.39Å; I278-A282 PolarHBondContact O-N 3.11Å; Q279-A282 PolarHBondContact O-N 3Å; A282-K284 PolarHBondContact O-N 3.41Å; A282-A285 PolarHBondContact O-N 3.47Å; A282-L286 WeakPolarHBondContact O-CG 3.09Å; A282-L286 PolarHBondContact O-N 3.43Å; A282-L286 VanDerWaalsContact O-N 3.08Å
283	L	51.5	Low	49.3	Very low	78 Å²	78	89.3 Å²	89.3	41%	0.408	49%	0.493	S	S	.	.	H	α-helix	trans	-60.7	-45.3	176	-164.3	88.2	0	0	0	111.1	Q279 L286 Q287	Q279-L283 WeakPolarHBondContact O-CB 3.42Å; Q279-L283 PolarHBondContact O-N 2.79Å; L283-L286 PolarHBondContact O-N 2.88Å; L283-Q287 WeakPolarHBondContact O-CG 3.33Å; L283-Q287 PolarHBondContact O-N 2.9Å
284	K	52	Low	48.6	Very low	125 Å²	125	90.5 Å²	90.5	54%	0.543	51%	0.506	S	S	.	.	H	α-helix	trans	-60.1	-48.9	176.3	-178.4	175.1	176.9	-178.8	0	111.7	K280 K281 A282 L286 Q287 D288	K280-K284 WeakPolarHBondContact O-CB 3.47Å; K280-K284 PolarHBondContact O-N 2.85Å; K281-K284 PolarHBondContact O-N 2.87Å; A282-K284 PolarHBondContact O-N 3.41Å; K284-L286 PolarHBondContact O-N 3Å; K284-Q287 PolarHBondContact O-N 3.4Å; K284-D288 VanDerWaalsContact CE-OD2 3.22Å; K284-D288 WeakPolarHBondContact CE-OD2 3.36Å; K284-D288 WeakPolarHBondContact CG-OD2 3.43Å; K284-D288 WeakPolarHBondContact O-CB 3.31Å; K284-D288 VanDerWaalsContact O-CG 3.3Å; K284-D288 PolarHBondContact O-N 2.81Å
285	A	49.5	Very low	47.9	Very low	51 Å²	51	89.8 Å²	89.8	42%	0.421	52%	0.515	S	S	.	.	H	α-helix	trans	-59.4	-33.5	178.9	0	0	0	0	0	113	K281 A282 M289	K281-A285 PolarHBondContact O-N 3.09Å; A282-A285 PolarHBondContact O-N 3.47Å; A285-M289 WeakPolarHBondContact O-CG 3.35Å; A285-M289 PolarHBondContact O-N 3.26Å
286	L	47.8	Very low	46.9	Very low	59 Å²	59	90.8 Å²	90.8	31%	0.309	53%	0.531	S	S	.	.	H	α-helix	trans	-74.6	-33.7	174	-70.8	167.3	0	0	0	113	A282 L283 K284 M289 S290	A282-L286 WeakPolarHBondContact O-CG 3.09Å; A282-L286 PolarHBondContact O-N 3.43Å; A282-L286 VanDerWaalsContact O-N 3.08Å; L283-L286 PolarHBondContact O-N 2.88Å; K284-L286 PolarHBondContact O-N 3Å; L286-M289 HydrophobicContact CD2-CE 4.39Å; L286-S290 VanDerWaalsContact O-CB 3.27Å; L286-S290 WeakPolarHBondContact O-CB 3.48Å; L286-S290 PolarHBondContact O-N 3.5Å; L286-S290 VanDerWaalsContact O-N 3.08Å
287	Q	50.6	Low	45.9	Very low	112 Å²	112	95.9 Å²	95.9	52%	0.523	56%	0.564	S	S	.	*	H	α-helix	trans	-70.9	-41.3	174	-73.4	172.1	-25.6	0	0	112	L283 K284 M289 S290 S291	L283-Q287 WeakPolarHBondContact O-CG 3.33Å; L283-Q287 PolarHBondContact O-N 2.9Å; K284-Q287 PolarHBondContact O-N 3.4Å; Q287-M289 VanDerWaalsContact C-N 3.27Å; Q287-M289 PolarHBondContact O-N 3.1Å; Q287-S290 PolarHBondContact O-N 3.36Å; Q287-S291 PolarHBondContact O-N 3.46Å; Q287-S291 PolarHBondContact O-OG 2.92Å
288	D	47.1	Very low	45.2	Very low	92 Å²	92	102.3 Å²	102.3	49%	0.492	59%	0.591	S	S	.	*	H	α-helix	trans	-62.6	-33.7	175.4	-66.9	-19.8	0	0	0	111	K284 S291	K284-D288 VanDerWaalsContact CE-OD2 3.22Å; K284-D288 WeakPolarHBondContact CE-OD2 3.36Å; K284-D288 WeakPolarHBondContact CG-OD2 3.43Å; K284-D288 WeakPolarHBondContact O-CB 3.31Å; K284-D288 VanDerWaalsContact O-CG 3.3Å; K284-D288 PolarHBondContact O-N 2.81Å; D288-S291 PolarHBondContact O-OG 3.28Å
289	M	45.8	Very low	44.2	Very low	139 Å²	139	106.5 Å²	106.5	69%	0.685	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-11.9	171.4	-70.5	-162.1	-63	0	0	114.9	A285 L286 Q287	A285-M289 WeakPolarHBondContact O-CG 3.35Å; A285-M289 PolarHBondContact O-N 3.26Å; L286-M289 HydrophobicContact CD2-CE 4.39Å; Q287-M289 VanDerWaalsContact C-N 3.27Å; Q287-M289 PolarHBondContact O-N 3.1Å
290	S	42.6	Very low	43.2	Very low	101 Å²	101	110.1 Å²	110.1	71%	0.706	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-8.9	179.9	-175.6	0	0	0	0	113.8	L286 Q287	L286-S290 VanDerWaalsContact O-CB 3.27Å; L286-S290 WeakPolarHBondContact O-CB 3.48Å; L286-S290 PolarHBondContact O-N 3.5Å; L286-S290 VanDerWaalsContact O-N 3.08Å; Q287-S290 PolarHBondContact O-N 3.36Å
291	S	40.4	Very low	42	Very low	88 Å²	88	108.1 Å²	108.1	62%	0.615	64%	0.641	S	S	*	*			trans	-101.1	5.7	-172.1	43.5	0	0	0	0	114.2	Q287 D288 A293	Q287-S291 PolarHBondContact O-N 3.46Å; Q287-S291 PolarHBondContact O-OG 2.92Å; D288-S291 PolarHBondContact O-OG 3.28Å; S291-A293 VanDerWaalsContact C-N 3.34Å; S291-A293 PolarHBondContact O-N 2.88Å
292	T	37.4	Very low	41.4	Very low	115 Å²	115	107 Å²	107	71%	0.706	64%	0.641	S	S	*	*			trans	-76.6	76.6	175.3	39.8	0	0	0	0	112.2
293	A	36.5	Very low	40.6	Very low	81 Å²	81	116.1 Å²	116.1	67%	0.669	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-56.8	141	160.3	0	0	0	0	0	110	S291	S291-A293 VanDerWaalsContact C-N 3.34Å; S291-A293 PolarHBondContact O-N 2.88Å
294	P	40.9	Very low	39.9	Very low	121 Å²	121	120.5 Å²	120.5	79%	0.786	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-65.3	127.5	-176.7	26.1	-33.9	0	0	0	110.6	A296	P294-A296 PolarHBondContact O-N 3.2Å
295	P	34.8	Very low	39.5	Very low	121 Å²	121	117.5 Å²	117.5	79%	0.786	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-69	134.5	179.6	27.8	-33.7	0	0	0	110.7
296	A	34.9	Very low	39.6	Very low	76 Å²	76	121.5 Å²	121.5	63%	0.628	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-58.5	150.3	164.7	0	0	0	0	0	110.1	P294 L298	P294-A296 PolarHBondContact O-N 3.2Å; A296-L298 PolarHBondContact O-N 3.3Å
297	P	38.2	Very low	40.3	Very low	135 Å²	135	122.4 Å²	122.4	88%	0.877	70%	0.696	S	S	*	*			trans	-67.8	92.2	-172.6	27.2	-35.4	0	0	0	112.1
298	L	32.6	Very low	41.2	Very low	162 Å²	162	117.9 Å²	117.9	85%	0.848	68%	0.675	S	S	*	*			trans	-80.4	135.3	173.9	-74.3	170.6	0	0	0	110.7	A296	A296-L298 PolarHBondContact O-N 3.3Å
299	Q	34.3	Very low	42.4	Very low	175 Å²	175	117.4 Å²	117.4	82%	0.818	68%	0.677	S	S	*	*			trans	-59.4	155.7	173.8	-70.7	-179	-11	0	0	111.6	S301	Q299-S301 PolarHBondContact O-N 3.12Å
300	P	33	Very low	44.1	Very low	126 Å²	126	115 Å²	115	82%	0.818	67%	0.67	S	S	*	*			trans	-63.8	93.2	-174.7	25.3	-35.5	0	0	0	112.6	I302	P300-I302 PolarHBondContact O-N 3.11Å
301	S	32.1	Very low	46.1	Very low	103 Å²	103	113 Å²	113	72%	0.72	65%	0.649	S	S	*	*			trans	-74.6	91.7	173.6	-174	0	0	0	0	109.9	Q299 R303	Q299-S301 PolarHBondContact O-N 3.12Å; S301-R303 VanDerWaalsContact C-N 3.34Å; S301-R303 PolarHBondContact O-N 2.88Å
302	I	35	Very low	48.3	Very low	142 Å²	142	111 Å²	111	73%	0.728	64%	0.639	S	S	*	*			trans	-63.4	97.3	167.7	-58.2	173.7	0	0	0	107.4	P300 K304	P300-I302 PolarHBondContact O-N 3.11Å; I302-K304 VanDerWaalsContact C-N 3.3Å; I302-K304 HydrophobicContact CG2-CG 4.39Å; I302-K304 PolarHBondContact O-N 3.4Å
303	R	36	Very low	50.7	Low	236 Å²	236	105.9 Å²	105.9	89%	0.891	61%	0.607	S	S	*	*			trans	-66.6	92.6	167.8	-69.9	-172.5	-179.2	-174.8	1.3	108.1	S301 A305	S301-R303 VanDerWaalsContact C-N 3.34Å; S301-R303 PolarHBondContact O-N 2.88Å; R303-A305 PolarHBondContact O-N 2.93Å
304	K	35.7	Very low	53.2	Low	170 Å²	170	106.6 Å²	106.6	74%	0.739	60%	0.596	S	S	*	*			trans	-61	131.8	175.5	-60.7	-177.6	-178.8	-177.9	0	108.8	I302	I302-K304 VanDerWaalsContact C-N 3.3Å; I302-K304 HydrophobicContact CG2-CG 4.39Å; I302-K304 PolarHBondContact O-N 3.4Å
305	A	44.9	Very low	55.5	Low	62 Å²	62	101.1 Å²	101.1	51%	0.512	56%	0.56	S	S	.	*			trans	-56.7	165	161.7	0	0	0	0	0	110	R303 T307	R303-A305 PolarHBondContact O-N 2.93Å; A305-T307 PolarHBondContact O-N 2.66Å
306	K	52	Low	58	Low	136 Å²	136	100.5 Å²	100.5	59%	0.591	55%	0.545	S	S	*	.			trans	-56.8	96.3	173	-66.1	173.9	-171.7	163.7	0	109.5	I308 E492 L493	K306-I308 PolarHBondContact O-N 2.65Å; K306-E492 PolarHBondContact NZ-O 2.93Å; K306-L493 PolarHBondContact NZ-O 2.62Å
307	T	60.9	Low	60.2	Low	78 Å²	78	98.8 Å²	98.8	48%	0.479	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-60.5	132.8	180	44.6	0	0	0	0	110	A305 E340	A305-T307 PolarHBondContact O-N 2.66Å; T307-E340 WeakPolarHBondContact CA-OE1 3.47Å; T307-E340 HydrophobicContact CG2-CG 4.08Å
308	I	69.6	Low	61.8	Low	17 Å²	17	95.4 Å²	95.4	9%	0.087	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-63.1	123.4	-178.7	-63.1	175	0	0	0	108.2	K306 V339 E340 L408 L411	K306-I308 PolarHBondContact O-N 2.65Å; I308-V339 HydrophobicContact CD1-CG1 4.34Å; I308-V339 HydrophobicContact CG2-CG2 4.36Å; I308-E340 PolarHBondContact N-OE1 2.91Å; I308-L408 HydrophobicContact CG2-CD2 4.18Å; I308-L411 HydrophobicContact CD1-CD2 3.4Å; I308-L411 VanDerWaalsContact CD1-CD2 3.4Å
309	P	73.9	Confident	63.4	Low	82 Å²	82	89.6 Å²	89.6	53%	0.532	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-65.5	146.6	-176.4	27.1	-34.6	0	0	0	110.8	Q311	P309-Q311 PolarHBondContact O-N 2.86Å
310	V	79.6	Confident	64.4	Low	88 Å²	88	86.7 Å²	86.7	53%	0.533	47%	0.466	S	S	.	.			trans	-64.5	106.5	179	179.4	0	0	0	0	109.4	V337 D338	V310-V337 WeakPolarHBondContact CA-O 3.35Å; V310-D338 HydrophobicContact CG1-CB 4.27Å; V310-D338 HydrophobicContact CG2-CB 4.03Å
311	Q	84.6	Confident	65	Low	58 Å²	58	87.8 Å²	87.8	27%	0.271	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	123.3	-172.3	-176.6	60.6	47.7	0	0	111.8	P309 F313 S336 V337 L408 V459	P309-Q311 PolarHBondContact O-N 2.86Å; Q311-F313 HydrophobicContact CB-CE2 3.98Å; Q311-F313 HydrophobicContact CG-CD2 4.09Å; Q311-F313 HydrophobicContact CG-CE1 4.47Å; Q311-F313 HydrophobicContact CG-CE2 3.41Å; Q311-F313 VanDerWaalsContact CG-CE2 3.41Å; Q311-F313 HydrophobicContact CG-CZ 3.64Å; Q311-S336 CarbonylContact O-C 3.58Å; Q311-S336 VanDerWaalsContact O-CA 3.3Å; Q311-S336 WeakPolarHBondContact O-CA 3.44Å; Q311-V337 PolarHBondContact N-O 2.89Å; Q311-V337 VanDerWaalsContact N-O 3.11Å; Q311-V337 PolarHBondContact O-N 2.72Å; Q311-L408 HydrophobicContact CB-CD1 3.67Å; Q311-L408 HydrophobicContact CG-CD1 4.11Å; Q311-V459 HydrophobicContact CB-CG1 4.13Å; Q311-V459 VanDerWaalsContact CD-CG2 3.5Å; Q311-V459 HydrophobicContact CG-CB 4.41Å; Q311-V459 HydrophobicContact CG-CG1 3.72Å; Q311-V459 HydrophobicContact CG-CG2 3.74Å
312	A	87	Confident	65.7	Low	48 Å²	48	85.5 Å²	85.5	40%	0.397	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	142.2	173.4	0	0	0	0	0	112.7	T334 L335	A312-T334 HydrophobicContact CB-CG2 3.83Å; A312-L335 CarbonylContact C-O 3.44Å; A312-L335 WeakPolarHBondContact CA-O 3.28Å
313	F	88.6	Confident	66.5	Low	7 Å²	7	83.9 Å²	83.9	3%	0.031	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	123.1	176.2	-63.7	-96.4	0	0	0	110.1	Q311 T334 L335 V337 F396 K401 A404 F405 L408	Q311-F313 HydrophobicContact CB-CE2 3.98Å; Q311-F313 HydrophobicContact CG-CD2 4.09Å; Q311-F313 HydrophobicContact CG-CE1 4.47Å; Q311-F313 HydrophobicContact CG-CE2 3.41Å; Q311-F313 VanDerWaalsContact CG-CE2 3.41Å; Q311-F313 HydrophobicContact CG-CZ 3.64Å; F313-T334 WeakPolarHBondContact O-CA 3.44Å; F313-L335 HydrophobicContact CB-CB 4.42Å; F313-L335 PolarHBondContact N-O 2.89Å; F313-L335 PolarHBondContact O-N 2.99Å; F313-V337 HydrophobicContact CE2-CG2 4.25Å; F313-F396 HydrophobicContact CB-CD1 4.42Å; F313-F396 HydrophobicContact CB-CE1 4.05Å; F313-F396 HydrophobicContact CD1-CD1 4.33Å; F313-F396 HydrophobicContact CD1-CE1 4.18Å; F313-F396 HydrophobicContact CG-CE1 4.22Å; F313-K401 HydrophobicContact CD1-CB 4.22Å; F313-K401 HydrophobicContact CE1-CB 4.34Å; F313-K401 VanDerWaalsContact CE1-O 3.3Å; F313-K401 WeakPolarHBondContact CE1-O 3.41Å; F313-A404 HydrophobicContact CE1-CB 4.18Å; F313-A404 HydrophobicContact CZ-CB 4.33Å; F313-F405 HydrophobicContact CD1-CB 4.32Å; F313-F405 HydrophobicContact CD2-CB 4.49Å; F313-F405 AromaticContact CD2-CD2 3.69Å; F313-F405 HydrophobicContact CD2-CD2 3.69Å; F313-F405 HydrophobicContact CD2-CE2 4.49Å; F313-F405 HydrophobicContact CE1-CB 4.07Å; F313-F405 HydrophobicContact CE2-CB 4.24Å; F313-F405 AromaticContact CE2-CD2 3.85Å; F313-F405 HydrophobicContact CE2-CD2 3.85Å; F313-F405 HydrophobicContact CG-CD2 4.19Å; F313-F405 HydrophobicContact CZ-CB 4.02Å; F313-F405 HydrophobicContact CZ-CD2 4.48Å; F313-L408 HydrophobicContact CE2-CD1 3.84Å; F313-L408 HydrophobicContact CZ-CD1 3.92Å
314	E	87.8	Confident	67.3	Low	95 Å²	95	76.7 Å²	76.7	44%	0.444	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	129.7	167.2	-70.9	-152.2	169.4	0	0	110.6	K332 V397	E314-K332 IonicContact OE1-NZ 2.84Å; E314-K332 IonicContact OE2-NZ 3.34Å; E314-K332 PolarHBondContact OE2-NZ 2.98Å; E314-V397 HydrophobicContact CB-CG2 4.45Å
315	V	89.6	Confident	67.9	Low	6 Å²	6	74.5 Å²	74.5	4%	0.036	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158.4	175.9	-60	0	0	0	0	111.5	F333 L335 F394 I395 F396	V315-F333 HydrophobicContact CG2-CB 3.98Å; V315-F333 PolarHBondContact N-O 3.43Å; V315-F333 PolarHBondContact O-N 2.86Å; V315-L335 HydrophobicContact CB-CD1 4.46Å; V315-L335 HydrophobicContact CG1-CD1 3.87Å; V315-L335 HydrophobicContact CG2-CD1 3.78Å; V315-L335 HydrophobicContact CG2-CG 3.97Å; V315-F394 HydrophobicContact CB-CB 4.25Å; V315-F394 HydrophobicContact CB-CD1 4.41Å; V315-F394 HydrophobicContact CG1-CB 4.45Å; V315-F394 HydrophobicContact CG2-CB 4.28Å; V315-F394 HydrophobicContact CG2-CD1 3.59Å; V315-F394 HydrophobicContact CG2-CE1 4.27Å; V315-F394 HydrophobicContact CG2-CG 4.22Å; V315-I395 CarbonylContact C-O 3.58Å; V315-I395 WeakPolarHBondContact CA-O 3.33Å; V315-F396 HydrophobicContact CG1-CB 4.49Å; V315-F396 HydrophobicContact CG1-CD1 3.62Å; V315-F396 HydrophobicContact CG1-CD2 3.96Å; V315-F396 HydrophobicContact CG1-CE1 3.63Å; V315-F396 HydrophobicContact CG1-CE2 3.95Å; V315-F396 HydrophobicContact CG1-CG 3.77Å; V315-F396 HydrophobicContact CG1-CZ 3.79Å
316	K	87.4	Confident	68.2	Low	109 Å²	109	80.8 Å²	80.8	47%	0.474	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	139.1	164.9	-63	172.4	-177.2	173.4	0	108.4	I395	K316-I395 HydrophobicContact CB-CB 4.46Å; K316-I395 PolarHBondContact N-O 2.77Å; K316-I395 PolarHBondContact O-N 3.42Å
317	L	82.4	Confident	68.3	Low	40 Å²	40	77.6 Å²	77.6	21%	0.209	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	128.7	167.6	-170.5	74.7	0	0	0	108.9	V319 Q331 F333 K392 F394	L317-V319 HydrophobicContact CD2-CG2 4.03Å; L317-V319 HydrophobicContact CG-CG2 4.18Å; L317-Q331 PolarHBondContact N-O 2.9Å; L317-F333 HydrophobicContact CB-CD2 3.88Å; L317-F333 HydrophobicContact CB-CE2 3.58Å; L317-F333 HydrophobicContact CD2-CE2 4.01Å; L317-F333 HydrophobicContact CD2-CZ 4.34Å; L317-F333 HydrophobicContact CG-CE2 4.34Å; L317-K392 HydrophobicContact CD1-CB 4.06Å; L317-F394 HydrophobicContact CD1-CD1 4.02Å; L317-F394 HydrophobicContact CD1-CE1 3.82Å; L317-F394 HydrophobicContact CD1-CZ 4.45Å
318	D	71.1	Confident	67.6	Low	64 Å²	64	77 Å²	77	34%	0.342	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-82.3	124.2	170.4	-165.7	15.4	0	0	0	108.9	K377 D393 I395	D318-K377 WeakPolarHBondContact OD2-CE 3.41Å; D318-K377 IonicContact OD2-NZ 2.89Å; D318-K377 PolarHBondContact OD2-NZ 2.87Å; D318-D393 HydrophobicContact CB-CB 3.96Å; D318-D393 PolarHBondContact N-O 2.88Å; D318-I395 HydrophobicContact CB-CD1 3.9Å; D318-I395 HydrophobicContact CB-CG1 4.14Å
319	V	65.8	Low	66.8	Low	40 Å²	40	83.8 Å²	83.8	24%	0.242	47%	0.472	C	S	.	.			trans	-121.5	110.5	-170.3	178.1	0	0	0	0	108.5	L317 D323	L317-V319 HydrophobicContact CD2-CG2 4.03Å; L317-V319 HydrophobicContact CG-CG2 4.18Å; V319-D323 HydrophobicContact CG1-CB 3.65Å
320	T	54.3	Low	66	Low	114 Å²	114	83.9 Å²	83.9	70%	0.699	48%	0.475	S	S	*	.			trans	-61.3	149.1	-176	-33.3	0	0	0	0	111.5	G322 D323	T320-G322 PolarHBondContact O-N 2.86Å; T320-D323 PolarHBondContact O-N 3.43Å; T320-D323 VanDerWaalsContact O-N 3.08Å
321	L	47.3	Very low	65.5	Low	148 Å²	148	81.9 Å²	81.9	78%	0.775	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-20.2	-163.4	-151.3	74	0	0	0	116.6	L324	L321-L324 HydrophobicContact CD1-CD1 4.06Å
322	G	47	Very low	65.2	Low	55 Å²	55	84.6 Å²	84.6	57%	0.567	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-42.2	176	0	0	0	0	0	114.2	T320 L324 T325	T320-G322 PolarHBondContact O-N 2.86Å; G322-L324 VanDerWaalsContact C-N 3.34Å; G322-L324 PolarHBondContact O-N 3Å; G322-T325 PolarHBondContact O-OG1 2.88Å
323	D	51.6	Low	65.2	Low	109 Å²	109	83.4 Å²	83.4	58%	0.583	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-79.2	-18.5	-174.4	-69.7	-37.7	0	0	0	113	V319 T320 T325 K326	V319-D323 HydrophobicContact CG1-CB 3.65Å; T320-D323 PolarHBondContact O-N 3.43Å; T320-D323 VanDerWaalsContact O-N 3.08Å; D323-T325 PolarHBondContact O-N 3.5Å; D323-T325 VanDerWaalsContact O-N 3.09Å; D323-K326 PolarHBondContact O-N 3Å; D323-K326 VanDerWaalsContact O-N 3.1Å
324	L	51.5	Low	65.2	Low	85 Å²	85	84.1 Å²	84.1	45%	0.445	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-59.2	-20.6	176.3	-93.7	161.9	0	0	0	113.4	L321 G322 K326 I327	L321-L324 HydrophobicContact CD1-CD1 4.06Å; G322-L324 VanDerWaalsContact C-N 3.34Å; G322-L324 PolarHBondContact O-N 3Å; L324-K326 PolarHBondContact O-N 2.83Å; L324-I327 PolarHBondContact O-N 2.76Å
325	T	49	Very low	65.3	Low	123 Å²	123	79.6 Å²	79.6	76%	0.755	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-64.3	-14.2	174.7	57.9	0	0	0	0	114.5	G322 D323	G322-T325 PolarHBondContact O-OG1 2.88Å; D323-T325 PolarHBondContact O-N 3.5Å; D323-T325 VanDerWaalsContact O-N 3.09Å
326	K	51.6	Low	65.2	Low	194 Å²	194	80.5 Å²	80.5	84%	0.843	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	-10.6	175.9	-70.3	-173.8	176.9	-179.2	0	115	D323 L324	D323-K326 PolarHBondContact O-N 3Å; D323-K326 VanDerWaalsContact O-N 3.1Å; L324-K326 PolarHBondContact O-N 2.83Å
327	I	53.8	Low	65.3	Low	69 Å²	69	75.4 Å²	75.4	35%	0.354	43%	0.425	S	S	.	.			trans	-131.6	76.6	-170.1	-52.2	-175.3	0	0	0	111.1	L324 K329 Q331	L324-I327 PolarHBondContact O-N 2.76Å; I327-K329 VanDerWaalsContact C-N 3.29Å; I327-K329 PolarHBondContact O-N 3.25Å; I327-Q331 HydrophobicContact CG2-CG 4.5Å
328	G	45.8	Very low	65.5	Low	67 Å²	67	74.4 Å²	74.4	69%	0.691	42%	0.42	S	S	*	.			trans	-76.8	63.7	177.2	0	0	0	0	0	114.7
329	K	53.1	Low	66.2	Low	158 Å²	158	71.4 Å²	71.4	69%	0.687	40%	0.404	S	S	*	.	S	Bend	trans	-176.7	143.9	158.6	-95.1	132.7	-159.9	163	0	111.1	I327 Q331	I327-K329 VanDerWaalsContact C-N 3.29Å; I327-K329 PolarHBondContact O-N 3.25Å; K329-Q331 PolarHBondContact O-N 2.65Å
330	S	56.3	Low	67.1	Low	85 Å²	85	72.6 Å²	72.6	59%	0.594	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-61.3	118.7	168.1	179.7	0	0	0	0	110
331	Q	69.4	Low	68.5	Low	46 Å²	46	68.9 Å²	68.9	22%	0.215	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-83.8	121.5	178.1	-65.8	-172.9	24.5	0	0	110	L317 I327 K329 F333	L317-Q331 PolarHBondContact N-O 2.9Å; I327-Q331 HydrophobicContact CG2-CG 4.5Å; K329-Q331 PolarHBondContact O-N 2.65Å; Q331-F333 HydrophobicContact CB-CD2 4.25Å; Q331-F333 HydrophobicContact CB-CE2 3.58Å; Q331-F333 HydrophobicContact CB-CZ 4.3Å
332	K	79.8	Confident	70.4	Confident	115 Å²	115	61.9 Å²	61.9	50%	0.5	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	137.9	166.8	-78.3	-165.4	169.2	-152.7	0	109.7	E314	E314-K332 IonicContact OE1-NZ 2.84Å; E314-K332 IonicContact OE2-NZ 3.34Å; E314-K332 PolarHBondContact OE2-NZ 2.98Å
333	F	85.3	Confident	72.4	Confident	22 Å²	22	64.9 Å²	64.9	10%	0.096	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	158.3	170.8	-69.1	-97.3	0	0	0	110	V315 L317 Q331 L346 L347 R348	V315-F333 HydrophobicContact CG2-CB 3.98Å; V315-F333 PolarHBondContact N-O 3.43Å; V315-F333 PolarHBondContact O-N 2.86Å; L317-F333 HydrophobicContact CB-CD2 3.88Å; L317-F333 HydrophobicContact CB-CE2 3.58Å; L317-F333 HydrophobicContact CD2-CE2 4.01Å; L317-F333 HydrophobicContact CD2-CZ 4.34Å; L317-F333 HydrophobicContact CG-CE2 4.34Å; Q331-F333 HydrophobicContact CB-CD2 4.25Å; Q331-F333 HydrophobicContact CB-CE2 3.58Å; Q331-F333 HydrophobicContact CB-CZ 4.3Å; F333-L346 HydrophobicContact CB-CD1 3.7Å; F333-L346 HydrophobicContact CD1-CD1 3.56Å; F333-L346 HydrophobicContact CD1-CD2 4.45Å; F333-L346 HydrophobicContact CD1-CG 3.96Å; F333-L346 HydrophobicContact CE1-CD1 4.41Å; F333-L346 HydrophobicContact CE1-CG 4.48Å; F333-L346 HydrophobicContact CG-CD1 3.87Å; F333-L347 WeakPolarHBondContact CA-O 3.23Å; F333-R348 HydrophobicContact CD1-CB 3.88Å; F333-R348 HydrophobicContact CD1-CG 4.19Å; F333-R348 HydrophobicContact CE1-CB 3.63Å; F333-R348 HydrophobicContact CE1-CG 3.7Å; F333-R348 HydrophobicContact CZ-CG 4.11Å
334	T	88.3	Confident	74.3	Confident	23 Å²	23	59.7 Å²	59.7	14%	0.141	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.5	167.6	-55.5	0	0	0	0	108.7	A312 F313 L347	A312-T334 HydrophobicContact CB-CG2 3.83Å; F313-T334 WeakPolarHBondContact O-CA 3.44Å; T334-L347 PolarHBondContact N-O 3.02Å; T334-L347 PolarHBondContact O-N 2.92Å
335	L	89.9	Confident	76	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	116.6	172.5	-73.5	168.4	0	0	0	108.4	A312 F313 V315 L344 V345 L346 F394 F396 F405	A312-L335 CarbonylContact C-O 3.44Å; A312-L335 WeakPolarHBondContact CA-O 3.28Å; F313-L335 HydrophobicContact CB-CB 4.42Å; F313-L335 PolarHBondContact N-O 2.89Å; F313-L335 PolarHBondContact O-N 2.99Å; V315-L335 HydrophobicContact CB-CD1 4.46Å; V315-L335 HydrophobicContact CG1-CD1 3.87Å; V315-L335 HydrophobicContact CG2-CD1 3.78Å; V315-L335 HydrophobicContact CG2-CG 3.97Å; L335-L344 HydrophobicContact CB-CD1 4.29Å; L335-L344 HydrophobicContact CD2-CD1 4.06Å; L335-L344 HydrophobicContact CD2-CD2 4.29Å; L335-L344 HydrophobicContact CD2-CG 4.38Å; L335-V345 CarbonylContact C-O 3.58Å; L335-V345 WeakPolarHBondContact CA-O 3.47Å; L335-L346 HydrophobicContact CD2-CB 4.13Å; L335-L346 HydrophobicContact CD2-CD1 3.59Å; L335-L346 HydrophobicContact CD2-CG 4.44Å; L335-L346 HydrophobicContact CG-CD1 4.19Å; L335-F394 HydrophobicContact CD1-CB 4.45Å; L335-F394 HydrophobicContact CD1-CD1 4.24Å; L335-F394 HydrophobicContact CD1-CD2 4.08Å; L335-F394 HydrophobicContact CD1-CE1 4.48Å; L335-F394 HydrophobicContact CD1-CE2 4.33Å; L335-F394 HydrophobicContact CD1-CG 4.02Å; L335-F394 HydrophobicContact CD2-CE1 4.45Å; L335-F394 HydrophobicContact CD2-CE2 4.31Å; L335-F394 HydrophobicContact CD2-CZ 4.09Å; L335-F396 HydrophobicContact CD1-CE1 4.48Å; L335-F396 HydrophobicContact CD1-CZ 3.89Å; L335-F405 HydrophobicContact CB-CE2 3.83Å; L335-F405 HydrophobicContact CB-CZ 4.35Å; L335-F405 HydrophobicContact CD1-CE1 4.34Å; L335-F405 HydrophobicContact CD1-CE2 3.98Å; L335-F405 HydrophobicContact CD1-CZ 3.78Å; L335-F405 HydrophobicContact CD2-CZ 4.43Å; L335-F405 HydrophobicContact CG-CE2 4.39Å; L335-F405 HydrophobicContact CG-CZ 4.43Å
336	S	88.7	Confident	77.9	Confident	25 Å²	25	52 Å²	52	18%	0.175	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	118.6	178.6	-62.3	0	0	0	0	110.8	Q311 V345	Q311-S336 CarbonylContact O-C 3.58Å; Q311-S336 VanDerWaalsContact O-CA 3.3Å; Q311-S336 WeakPolarHBondContact O-CA 3.44Å; S336-V345 PolarHBondContact N-O 3.16Å; S336-V345 PolarHBondContact O-N 2.95Å
337	V	89	Confident	79.4	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.8	179.9	-168.5	0	0	0	0	110.2	V310 Q311 F313 V339 L344 F405 L408 L409 M412	V310-V337 WeakPolarHBondContact CA-O 3.35Å; Q311-V337 PolarHBondContact N-O 2.89Å; Q311-V337 VanDerWaalsContact N-O 3.11Å; Q311-V337 PolarHBondContact O-N 2.72Å; F313-V337 HydrophobicContact CE2-CG2 4.25Å; V337-V339 HydrophobicContact CG1-CG2 4.06Å; V337-L344 HydrophobicContact CG2-CD1 3.99Å; V337-F405 HydrophobicContact CG2-CD2 3.66Å; V337-F405 HydrophobicContact CG2-CE2 3.52Å; V337-L408 HydrophobicContact CB-CB 4.37Å; V337-L408 HydrophobicContact CB-CD1 4.29Å; V337-L408 HydrophobicContact CG1-CB 4.05Å; V337-L408 HydrophobicContact CG2-CB 4.43Å; V337-L408 HydrophobicContact CG2-CD1 4.46Å; V337-L409 HydrophobicContact CG1-CD2 4.06Å; V337-L409 HydrophobicContact CG2-CD2 4.26Å; V337-M412 HydrophobicContact CG1-SD 4.06Å
338	D	87.9	Confident	80.7	Confident	19 Å²	19	44.2 Å²	44.2	10%	0.102	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	88.4	174	169.5	23.3	0	0	0	108.6	V310 E340 G341 G342 R343	V310-D338 HydrophobicContact CG1-CB 4.27Å; V310-D338 HydrophobicContact CG2-CB 4.03Å; D338-E340 VanDerWaalsContact C-N 3.3Å; D338-E340 PolarHBondContact O-N 3.38Å; D338-G341 PolarHBondContact OD1-N 3.21Å; D338-G341 WeakPolarHBondContact OD2-CA 3.33Å; D338-G342 PolarHBondContact O-N 3Å; D338-R343 HydrophobicContact CB-CB 4.27Å; D338-R343 WeakPolarHBondContact CB-O 3.43Å; D338-R343 PolarHBondContact N-O 2.86Å; D338-R343 PolarHBondContact O-N 2.99Å; D338-R343 IonicContact OD2-CZ 3.6Å; D338-R343 IonicContact OD2-NE 3.2Å; D338-R343 PolarHBondContact OD2-NE 2.95Å; D338-R343 IonicContact OD2-NH2 2.7Å; D338-R343 PolarHBondContact OD2-NH2 2.86Å
339	V	84.6	Confident	81.6	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.012	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-37.5	-178.4	179.4	0	0	0	0	111.4	I308 V337 L408 L411 M412 H416	I308-V339 HydrophobicContact CD1-CG1 4.34Å; I308-V339 HydrophobicContact CG2-CG2 4.36Å; V337-V339 HydrophobicContact CG1-CG2 4.06Å; V339-L408 HydrophobicContact CG2-CB 4.38Å; V339-L408 HydrophobicContact CG2-CD2 3.85Å; V339-L411 HydrophobicContact CG1-CB 4.49Å; V339-L411 HydrophobicContact CG1-CD2 4.14Å; V339-L411 HydrophobicContact CG1-CG 3.95Å; V339-M412 HydrophobicContact CG1-CB 4.43Å; V339-M412 HydrophobicContact CG2-CB 4.41Å; V339-H416 PolarHBondContact O-NE2 2.85Å
340	E	84.7	Confident	82.1	Confident	65 Å²	65	45.3 Å²	45.3	30%	0.304	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-47.7	-179.5	-62.5	-63.3	158.6	0	0	111.5	T307 I308 D338 R415 H416	T307-E340 WeakPolarHBondContact CA-OE1 3.47Å; T307-E340 HydrophobicContact CG2-CG 4.08Å; I308-E340 PolarHBondContact N-OE1 2.91Å; D338-E340 VanDerWaalsContact C-N 3.3Å; D338-E340 PolarHBondContact O-N 3.38Å; E340-R415 IonicContact OE1-CZ 2.69Å; E340-R415 IonicContact OE1-NH1 2.73Å; E340-R415 PolarHBondContact OE1-NH1 3.18Å; E340-R415 IonicContact OE1-NH2 3.94Å; E340-R415 IonicContact OE2-CZ 3.17Å; E340-R415 IonicContact OE2-NH1 2.73Å; E340-R415 PolarHBondContact OE2-NH1 3.09Å; E340-H416 PolarHBondContact O-CE1 3.16Å; E340-H416 PolarHBondContact O-NE2 3.38Å; E340-H416 VanDerWaalsContact O-NE2 3.11Å
341	G	83.9	Confident	81.9	Confident	35 Å²	35	51.2 Å²	51.2	36%	0.361	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-5.1	179.1	0	0	0	0	0	115.5	D338	D338-G341 PolarHBondContact OD1-N 3.21Å; D338-G341 WeakPolarHBondContact OD2-CA 3.33Å
342	G	86.3	Confident	81	Confident	2 Å²	2	54.4 Å²	54.4	2%	0.021	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	31.4	175.4	0	0	0	0	0	114.2	D338 T361 H362 M412 H416	D338-G342 PolarHBondContact O-N 3Å; G342-T361 WeakPolarHBondContact O-CA 3.38Å; G342-H362 PolarHBondContact O-N 2.92Å; G342-M412 VanDerWaalsContact C-SD 3.55Å; G342-H416 WeakPolarHBondContact CA-NE2 3.44Å; G342-H416 PolarHBondContact N-CE1 3.35Å; G342-H416 PolarHBondContact N-NE2 3.26Å
343	R	90.4	Very high	79.7	Confident	117 Å²	117	55.1 Å²	55.1	44%	0.442	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	141.3	-167.7	-66.2	172.7	-62.8	-162.1	2	113.4	D338 T359 F360 T361 M412	D338-R343 HydrophobicContact CB-CB 4.27Å; D338-R343 WeakPolarHBondContact CB-O 3.43Å; D338-R343 PolarHBondContact N-O 2.86Å; D338-R343 PolarHBondContact O-N 2.99Å; D338-R343 IonicContact OD2-CZ 3.6Å; D338-R343 IonicContact OD2-NE 3.2Å; D338-R343 PolarHBondContact OD2-NE 2.95Å; D338-R343 IonicContact OD2-NH2 2.7Å; D338-R343 PolarHBondContact OD2-NH2 2.86Å; R343-T359 HydrophobicContact CB-CG2 4.1Å; R343-T359 HydrophobicContact CG-CG2 4.15Å; R343-F360 WeakPolarHBondContact CA-O 3.49Å; R343-T361 HydrophobicContact CG-CG2 4.35Å; R343-M412 PolarHBondContact N-SD 3.3Å; R343-M412 VanDerWaalsContact N-SD 3.36Å
344	L	90.3	Very high	78.1	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.2	163.9	174.7	64.6	0	0	0	109.1	L335 V337 T359 F360 I365 F382 F405 L409	L335-L344 HydrophobicContact CB-CD1 4.29Å; L335-L344 HydrophobicContact CD2-CD1 4.06Å; L335-L344 HydrophobicContact CD2-CD2 4.29Å; L335-L344 HydrophobicContact CD2-CG 4.38Å; V337-L344 HydrophobicContact CG2-CD1 3.99Å; L344-T359 WeakPolarHBondContact O-CA 3.26Å; L344-F360 PolarHBondContact N-O 3.12Å; L344-F360 PolarHBondContact O-N 3.28Å; L344-I365 HydrophobicContact CB-CD1 3.98Å; L344-I365 HydrophobicContact CD2-CD1 3.89Å; L344-F382 HydrophobicContact CD2-CE1 3.97Å; L344-F382 HydrophobicContact CD2-CZ 4.03Å; L344-F405 HydrophobicContact CD1-CE2 3.7Å; L344-F405 HydrophobicContact CD1-CZ 3.87Å; L344-F405 HydrophobicContact CD2-CZ 4.03Å; L344-L409 HydrophobicContact CB-CD2 4.37Å; L344-L409 HydrophobicContact CD1-CD2 4.47Å; L344-L409 HydrophobicContact CD2-CD2 4.34Å
345	V	88.3	Confident	77	Confident	43 Å²	43	63.3 Å²	63.3	26%	0.261	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.2	174.6	-174.6	0	0	0	0	109.5	L335 S336 W357 T359	L335-V345 CarbonylContact C-O 3.58Å; L335-V345 WeakPolarHBondContact CA-O 3.47Å; S336-V345 PolarHBondContact N-O 3.16Å; S336-V345 PolarHBondContact O-N 2.95Å; V345-W357 HydrophobicContact CG1-CB 4.31Å; V345-T359 HydrophobicContact CG2-CG2 4.19Å
346	L	88	Confident	76.1	Confident	4 Å²	4	65.8 Å²	65.8	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	108.4	172.6	171.9	70.3	0	0	0	108.9	F333 L335 T358 F360 K392 F394	F333-L346 HydrophobicContact CB-CD1 3.7Å; F333-L346 HydrophobicContact CD1-CD1 3.56Å; F333-L346 HydrophobicContact CD1-CD2 4.45Å; F333-L346 HydrophobicContact CD1-CG 3.96Å; F333-L346 HydrophobicContact CE1-CD1 4.41Å; F333-L346 HydrophobicContact CE1-CG 4.48Å; F333-L346 HydrophobicContact CG-CD1 3.87Å; L335-L346 HydrophobicContact CD2-CB 4.13Å; L335-L346 HydrophobicContact CD2-CD1 3.59Å; L335-L346 HydrophobicContact CD2-CG 4.44Å; L335-L346 HydrophobicContact CG-CD1 4.19Å; L346-T358 PolarHBondContact N-O 2.89Å; L346-T358 PolarHBondContact O-N 3.22Å; L346-T358 PolarHBondContact O-OG1 3.22Å; L346-F360 HydrophobicContact CB-CE2 4.34Å; L346-F360 HydrophobicContact CD2-CE2 4.46Å; L346-K392 HydrophobicContact CD2-CD 4.08Å; L346-K392 VanDerWaalsContact CD2-NZ 3.31Å; L346-F394 HydrophobicContact CD1-CE1 3.77Å; L346-F394 HydrophobicContact CD1-CZ 3.9Å; L346-F394 HydrophobicContact CD2-CZ 4.15Å
347	L	84.8	Confident	75.5	Confident	31 Å²	31	73.3 Å²	73.3	16%	0.162	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	130.4	179.8	-178.7	68.7	0	0	0	110.9	F333 T334 E355 W357	F333-L347 WeakPolarHBondContact CA-O 3.23Å; T334-L347 PolarHBondContact N-O 3.02Å; T334-L347 PolarHBondContact O-N 2.92Å; L347-E355 HydrophobicContact CD1-CB 3.94Å; L347-W357 HydrophobicContact CD1-CB 4.05Å; L347-W357 HydrophobicContact CD1-CE3 4.43Å
348	R	80.4	Confident	75.3	Confident	68 Å²	68	76.1 Å²	76.1	26%	0.257	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	114.7	172.5	-171.3	167.8	77.4	143.7	-2.4	110.9	F333 Q350 D356	F333-R348 HydrophobicContact CD1-CB 3.88Å; F333-R348 HydrophobicContact CD1-CG 4.19Å; F333-R348 HydrophobicContact CE1-CB 3.63Å; F333-R348 HydrophobicContact CE1-CG 3.7Å; F333-R348 HydrophobicContact CZ-CG 4.11Å; R348-Q350 PolarHBondContact O-N 2.81Å; R348-D356 HydrophobicContact CB-CB 4.28Å; R348-D356 IonicContact CZ-OD2 3.91Å; R348-D356 PolarHBondContact N-O 3.04Å; R348-D356 IonicContact NE-OD2 3.97Å; R348-D356 PolarHBondContact NE-OD2 3.48Å; R348-D356 VanDerWaalsContact NE-OD2 3.14Å; R348-D356 IonicContact NH2-OD2 3.83Å; R348-D356 PolarHBondContact NH2-OD2 3.49Å; R348-D356 PolarHBondContact O-N 3.36Å
349	R	64.9	Low	75.2	Confident	161 Å²	161	78.5 Å²	78.5	61%	0.608	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	104.4	170.2	-83.5	-178	161	175	-6.6	110.9	E355	R349-E355 WeakPolarHBondContact CG-OE1 3.28Å; R349-E355 IonicContact NE-OE1 3.76Å; R349-E355 PolarHBondContact NE-OE1 3.05Å
350	Q	62.7	Low	75.2	Confident	87 Å²	87	79.6 Å²	79.6	41%	0.407	38%	0.383	S	S	.	.			trans	-81.4	170.1	162.4	-79.5	-162.8	-134.9	0	0	111.5	R348	R348-Q350 PolarHBondContact O-N 2.81Å
351	R	52.8	Low	75.3	Confident	209 Å²	209	78.9 Å²	78.9	79%	0.789	38%	0.383	S	S	*	.	S	Bend	trans	-81.8	-20.3	179.9	-157.6	177.7	-60.6	-128.9	-6.1	112.5
352	D	49.3	Very low	75.2	Confident	113 Å²	113	79 Å²	79	60%	0.604	37%	0.374	S	S	*	.	S	Bend	trans	-118.9	62.9	-163.8	-42.3	-70.8	0	0	0	110.3	Q354	D352-Q354 PolarHBondContact O-N 2.94Å
353	S	52.8	Low	74.9	Confident	130 Å²	130	82.9 Å²	82.9	91%	0.909	39%	0.394	S	S	*	.	S	Bend	trans	52.9	-11.8	169.4	54.8	0	0	0	0	121
354	Q	52.3	Low	74.7	Confident	132 Å²	132	83 Å²	83	62%	0.617	39%	0.394	S	S	*	.			trans	-92.5	118.1	175.4	-170.9	177.9	-50.1	0	0	111	D352 D356	D352-Q354 PolarHBondContact O-N 2.94Å; Q354-D356 PolarHBondContact NE2-OD1 3.33Å
355	E	64.3	Low	74.5	Confident	85 Å²	85	83 Å²	83	40%	0.397	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	104.5	174.7	-72	-161.4	146.8	0	0	110.8	L347 R349 W357	L347-E355 HydrophobicContact CD1-CB 3.94Å; R349-E355 WeakPolarHBondContact CG-OE1 3.28Å; R349-E355 IonicContact NE-OE1 3.76Å; R349-E355 PolarHBondContact NE-OE1 3.05Å; E355-W357 PolarHBondContact O-N 3.27Å
356	D	72.6	Confident	74.1	Confident	52 Å²	52	85.7 Å²	85.7	28%	0.278	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	111.5	173.8	-55.5	-41.7	0	0	0	109.6	R348 Q354	R348-D356 HydrophobicContact CB-CB 4.28Å; R348-D356 IonicContact CZ-OD2 3.91Å; R348-D356 PolarHBondContact N-O 3.04Å; R348-D356 IonicContact NE-OD2 3.97Å; R348-D356 PolarHBondContact NE-OD2 3.48Å; R348-D356 VanDerWaalsContact NE-OD2 3.14Å; R348-D356 IonicContact NH2-OD2 3.83Å; R348-D356 PolarHBondContact NH2-OD2 3.49Å; R348-D356 PolarHBondContact O-N 3.36Å; Q354-D356 PolarHBondContact NE2-OD1 3.33Å
357	W	75.6	Confident	73.8	Confident	183 Å²	183	88.7 Å²	88.7	69%	0.693	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	145	169.7	58.1	62.5	0	0	0	112.4	V345 L347 E355	V345-W357 HydrophobicContact CG1-CB 4.31Å; L347-W357 HydrophobicContact CD1-CB 4.05Å; L347-W357 HydrophobicContact CD1-CE3 4.43Å; E355-W357 PolarHBondContact O-N 3.27Å
358	T	83.9	Confident	73.9	Confident	61 Å²	61	87.2 Å²	87.2	37%	0.374	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128	173	48.8	0	0	0	0	109.9	L346	L346-T358 PolarHBondContact N-O 2.89Å; L346-T358 PolarHBondContact O-N 3.22Å; L346-T358 PolarHBondContact O-OG1 3.22Å
359	T	85.4	Confident	74.2	Confident	69 Å²	69	84.5 Å²	84.5	42%	0.423	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.5	-176.6	-56.2	0	0	0	0	110.6	R343 L344 V345	R343-T359 HydrophobicContact CB-CG2 4.1Å; R343-T359 HydrophobicContact CG-CG2 4.15Å; L344-T359 WeakPolarHBondContact O-CA 3.26Å; V345-T359 HydrophobicContact CG2-CG2 4.19Å
360	F	85.4	Confident	75.2	Confident	25 Å²	25	78.1 Å²	78.1	11%	0.11	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.7	175.5	-58.8	-89.2	0	0	0	108.5	R343 L344 L346 I365 F382	R343-F360 WeakPolarHBondContact CA-O 3.49Å; L344-F360 PolarHBondContact N-O 3.12Å; L344-F360 PolarHBondContact O-N 3.28Å; L346-F360 HydrophobicContact CB-CE2 4.34Å; L346-F360 HydrophobicContact CD2-CE2 4.46Å; F360-I365 HydrophobicContact CB-CG1 4.39Å; F360-F382 HydrophobicContact CB-CD1 4Å; F360-F382 HydrophobicContact CB-CE1 3.92Å; F360-F382 HydrophobicContact CD1-CB 4.07Å; F360-F382 AromaticContact CD1-CD1 3.25Å; F360-F382 HydrophobicContact CD1-CD1 3.25Å; F360-F382 AromaticContact CD1-CE1 3.8Å; F360-F382 HydrophobicContact CD1-CE1 3.8Å; F360-F382 AromaticContact CD1-CG 3.81Å; F360-F382 HydrophobicContact CD1-CG 3.81Å; F360-F382 HydrophobicContact CD2-CD1 4.04Å; F360-F382 AromaticContact CD2-CE1 3.69Å; F360-F382 HydrophobicContact CD2-CE1 3.69Å; F360-F382 HydrophobicContact CD2-CZ 4.22Å; F360-F382 HydrophobicContact CE1-CB 3.9Å; F360-F382 AromaticContact CE1-CD1 3.66Å; F360-F382 HydrophobicContact CE1-CD1 3.66Å; F360-F382 HydrophobicContact CE1-CD2 4.43Å; F360-F382 HydrophobicContact CE1-CE1 4.26Å; F360-F382 AromaticContact CE1-CG 3.74Å; F360-F382 HydrophobicContact CE1-CG 3.74Å; F360-F382 HydrophobicContact CE2-CD1 4.39Å; F360-F382 HydrophobicContact CE2-CE1 4.17Å; F360-F382 HydrophobicContact CE2-CZ 4.36Å; F360-F382 AromaticContact CG-CD1 3.47Å; F360-F382 HydrophobicContact CG-CD1 3.47Å; F360-F382 VanDerWaalsContact CG-CD1 3.47Å; F360-F382 AromaticContact CG-CE1 3.5Å; F360-F382 HydrophobicContact CG-CE1 3.5Å; F360-F382 HydrophobicContact CG-CG 4.37Å; F360-F382 HydrophobicContact CG-CZ 4.43Å; F360-F382 HydrophobicContact CZ-CD1 4.23Å; F360-F382 HydrophobicContact CZ-CE1 4.44Å; F360-F382 HydrophobicContact CZ-CG 4.25Å
361	T	86.1	Confident	76.1	Confident	49 Å²	49	75 Å²	75	30%	0.301	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	156.2	170.2	47.2	0	0	0	0	110.1	G342 R343 D363 R364	G342-T361 WeakPolarHBondContact O-CA 3.38Å; R343-T361 HydrophobicContact CG-CG2 4.35Å; T361-D363 WeakPolarHBondContact CB-OD1 3.37Å; T361-D363 PolarHBondContact O-N 2.92Å; T361-D363 VanDerWaalsContact O-N 3.13Å; T361-D363 PolarHBondContact OG1-OD1 3.18Å; T361-R364 PolarHBondContact O-N 3.3Å
362	H	81.9	Confident	77.3	Confident	38 Å²	38	71.5 Å²	71.5	18%	0.176	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-51.7	-36.4	-173.8	74.5	-75	0	0	0	114.5	G342 R364 I365 M412 H416	G342-H362 PolarHBondContact O-N 2.92Å; H362-R364 VanDerWaalsContact C-N 3.28Å; H362-R364 PolarHBondContact O-N 3.45Å; H362-I365 PolarHBondContact O-N 3.26Å; H362-M412 HydrophobicContact CB-CE 3.87Å; H362-M412 HydrophobicContact CB-CG 4.4Å; H362-H416 WeakPolarHBondContact ND1-CB 3.18Å; H362-H416 PolarHBondContact NE2-O 3.08Å
363	D	81.3	Confident	78.9	Confident	84 Å²	84	74.8 Å²	74.8	45%	0.449	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-62.8	-31.3	177.5	58.9	-62	0	0	0	113	T361 I365	T361-D363 WeakPolarHBondContact CB-OD1 3.37Å; T361-D363 PolarHBondContact O-N 2.92Å; T361-D363 VanDerWaalsContact O-N 3.13Å; T361-D363 PolarHBondContact OG1-OD1 3.18Å; D363-I365 VanDerWaalsContact C-N 3.29Å; D363-I365 PolarHBondContact O-N 2.97Å
364	R	85.5	Confident	80.3	Confident	118 Å²	118	71.4 Å²	71.4	45%	0.445	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-82.8	-3	-178.7	-59.5	-173.2	-177	-157.7	-1.9	113.7	T361 H362 F382 E383	T361-R364 PolarHBondContact O-N 3.3Å; H362-R364 VanDerWaalsContact C-N 3.28Å; H362-R364 PolarHBondContact O-N 3.45Å; R364-F382 CarbonylContact O-C 3.53Å; R364-F382 VanDerWaalsContact O-CA 3.29Å; R364-F382 WeakPolarHBondContact O-CA 3.25Å; R364-E383 PolarHBondContact O-N 3.04Å
365	I	85.3	Confident	81.7	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	101.2	178.4	-50.6	179.9	0	0	0	107.3	L344 F360 H362 D363 L368 V380 F382 L409 M412 W889	L344-I365 HydrophobicContact CB-CD1 3.98Å; L344-I365 HydrophobicContact CD2-CD1 3.89Å; F360-I365 HydrophobicContact CB-CG1 4.39Å; H362-I365 PolarHBondContact O-N 3.26Å; D363-I365 VanDerWaalsContact C-N 3.29Å; D363-I365 PolarHBondContact O-N 2.97Å; I365-L368 HydrophobicContact CG2-CD2 4.11Å; I365-V380 HydrophobicContact CG2-CG1 3.87Å; I365-F382 HydrophobicContact CD1-CE1 4.44Å; I365-F382 HydrophobicContact CG1-CD1 4.15Å; I365-F382 HydrophobicContact CG1-CE1 4.05Å; I365-L409 HydrophobicContact CD1-CD2 4.02Å; I365-M412 HydrophobicContact CD1-CE 3.88Å; I365-W889 HydrophobicContact CB-CZ2 3.89Å; I365-W889 HydrophobicContact CG2-CH2 4.49Å; I365-W889 HydrophobicContact CG2-CZ2 3.56Å; I365-W889 PolarHBondContact O-NE1 3.47Å
366	R	80.4	Confident	82.7	Confident	100 Å²	100	69.9 Å²	69.9	38%	0.377	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-25.7	-169.8	-71.5	-61	-162.9	133.2	7.1	114.9	V381 E383 E884	R366-V381 HydrophobicContact CB-CG1 4.48Å; R366-V381 PolarHBondContact N-O 3.32Å; R366-E383 HydrophobicContact CG-CB 3.99Å; R366-E383 IonicContact CZ-OE2 3.68Å; R366-E383 IonicContact NE-OE2 3.63Å; R366-E383 PolarHBondContact NE-OE2 3.22Å; R366-E383 IonicContact NH2-OE1 3.64Å; R366-E383 PolarHBondContact NH2-OE1 3.03Å; R366-E383 IonicContact NH2-OE2 2.72Å; R366-E383 PolarHBondContact NH2-OE2 3.05Å; R366-E884 IonicContact NH1-OE1 2.78Å; R366-E884 PolarHBondContact NH1-OE1 3.49Å
367	Q	82.5	Confident	83.5	Confident	66 Å²	66	68.8 Å²	68.8	31%	0.308	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	149.6	174.4	-153.3	177.3	23.8	0	0	112.3	I369 V381 W889 S891	Q367-I369 HydrophobicContact CG-CG1 4.15Å; Q367-V381 HydrophobicContact CB-CB 3.93Å; Q367-V381 HydrophobicContact CB-CG2 3.94Å; Q367-V381 PolarHBondContact N-O 3.08Å; Q367-V381 PolarHBondContact O-N 3.49Å; Q367-W889 WeakPolarHBondContact CA-O 3.37Å; Q367-W889 VanDerWaalsContact CG-O 3.29Å; Q367-W889 WeakPolarHBondContact CG-O 3.49Å; Q367-S891 PolarHBondContact NE2-OG 3.49Å
368	L	86.3	Confident	84.2	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.5	164.9	-54.3	-179	0	0	0	108.5	I365 L378 G379 V380 L409 W889 I890 S891	I365-L368 HydrophobicContact CG2-CD2 4.11Å; L368-L378 HydrophobicContact CB-CD1 4.31Å; L368-G379 CarbonylContact C-O 3.56Å; L368-V380 HydrophobicContact CD2-CB 4.35Å; L368-V380 HydrophobicContact CD2-CG1 3.89Å; L368-V380 HydrophobicContact CD2-CG2 3.9Å; L368-L409 HydrophobicContact CD1-CB 4.17Å; L368-L409 HydrophobicContact CD1-CD1 4.03Å; L368-L409 HydrophobicContact CD2-CD1 3.76Å; L368-W889 HydrophobicContact CD1-CD2 4.48Å; L368-W889 HydrophobicContact CD1-CE3 3.98Å; L368-W889 HydrophobicContact CD1-CH2 3.98Å; L368-W889 HydrophobicContact CD1-CZ2 4.41Å; L368-W889 HydrophobicContact CD1-CZ3 3.7Å; L368-W889 HydrophobicContact CG-CD2 4.33Å; L368-W889 HydrophobicContact CG-CE3 4.33Å; L368-W889 HydrophobicContact CG-CH2 4.36Å; L368-W889 HydrophobicContact CG-CZ2 4.3Å; L368-W889 HydrophobicContact CG-CZ3 4.33Å; L368-W889 PolarHBondContact N-O 3.35Å; L368-I890 HydrophobicContact CB-CG1 4.18Å; L368-I890 HydrophobicContact CD1-CD1 3.98Å; L368-I890 HydrophobicContact CD1-CG1 4.15Å; L368-I890 CarbonylContact O-C 3.6Å; L368-I890 WeakPolarHBondContact O-CA 3.32Å; L368-S891 PolarHBondContact O-N 2.56Å
369	I	85.9	Confident	84.4	Confident	12 Å²	12	57.2 Å²	57.2	6%	0.062	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	100.1	-173.6	-50	178.7	0	0	0	108.4	Q367 L378 G379 V381 S891 D893	Q367-I369 HydrophobicContact CG-CG1 4.15Å; I369-L378 WeakPolarHBondContact O-CA 3.44Å; I369-G379 PolarHBondContact N-O 2.84Å; I369-G379 PolarHBondContact O-N 2.84Å; I369-V381 HydrophobicContact CD1-CG2 3.81Å; I369-V381 HydrophobicContact CG1-CG2 4.39Å; I369-S891 WeakPolarHBondContact CA-O 3.45Å; I369-D893 HydrophobicContact CG2-CB 3.94Å
370	K	86.2	Confident	84.5	Confident	27 Å²	27	54 Å²	54	12%	0.117	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	124.8	178.3	-66.1	178.3	171.2	-170.9	0	109.4	Q372 L378 R402 E403 I890 S891 I892 D893	K370-Q372 PolarHBondContact O-N 3.1Å; K370-L378 HydrophobicContact CG-CD1 3.88Å; K370-R402 VanDerWaalsContact CD-NH1 3.31Å; K370-E403 VanDerWaalsContact CE-OE2 3.28Å; K370-E403 WeakPolarHBondContact CE-OE2 3.44Å; K370-E403 IonicContact NZ-OE1 3.65Å; K370-E403 PolarHBondContact NZ-OE1 2.96Å; K370-E403 IonicContact NZ-OE2 3.13Å; K370-E403 PolarHBondContact NZ-OE2 2.82Å; K370-I890 HydrophobicContact CD-CG2 3.76Å; K370-I890 HydrophobicContact CG-CG2 4.04Å; K370-S891 PolarHBondContact N-O 3.47Å; K370-I892 HydrophobicContact CB-CG1 4.38Å; K370-I892 WeakPolarHBondContact O-CA 3.24Å; K370-D893 PolarHBondContact O-N 3.18Å
371	S	82.9	Confident	84.6	Confident	20 Å²	20	53.5 Å²	53.5	14%	0.14	25%	0.247	C	C	.	.			trans	-80.9	120.8	178.1	-170.8	0	0	0	0	111.3	V374 K377	S371-V374 CarbonylContact O-C 3.42Å; S371-K377 PolarHBondContact N-O 2.83Å
372	Q	77.7	Confident	84.5	Confident	136 Å²	136	51.2 Å²	51.2	64%	0.636	23%	0.233	S	C	*	.	S	Bend	trans	-66.7	-37.1	176.9	-167.4	175.5	9	0	0	112.2	K370 I892	K370-Q372 PolarHBondContact O-N 3.1Å; Q372-I892 HydrophobicContact CB-CG2 3.92Å
373	R	82.4	Confident	84.5	Confident	182 Å²	182	51.4 Å²	51.4	69%	0.687	23%	0.234	S	C	*	.	S	Bend	trans	-75.5	-25.6	-178.5	-62.9	-178.2	178.6	-153.6	-5.3	113.8	D895	R373-D895 IonicContact CZ-OD1 2.82Å; R373-D895 IonicContact CZ-OD2 3.02Å; R373-D895 IonicContact NE-OD1 3.82Å; R373-D895 PolarHBondContact NE-OD1 3.09Å; R373-D895 IonicContact NE-OD2 2.65Å; R373-D895 PolarHBondContact NE-OD2 2.89Å; R373-D895 IonicContact NH2-OD1 3.2Å; R373-D895 PolarHBondContact NH2-OD1 2.84Å; R373-D895 IonicContact NH2-OD2 2.7Å; R373-D895 PolarHBondContact NH2-OD2 3.35Å
374	V	83.1	Confident	84.1	Confident	59 Å²	59	54.2 Å²	54.2	36%	0.358	24%	0.242	S	C	.	.	S	Bend	trans	-137.6	88.6	-174.2	-177.3	0	0	0	0	108.5	S371 N376 K377	S371-V374 CarbonylContact O-C 3.42Å; V374-N376 VanDerWaalsContact CG1-OD1 3.27Å; V374-N376 WeakPolarHBondContact CG1-OD1 3.18Å; V374-N376 PolarHBondContact O-N 3.22Å; V374-K377 HydrophobicContact CB-CB 3.86Å; V374-K377 HydrophobicContact CG1-CB 3.66Å; V374-K377 WeakPolarHBondContact O-CB 3.47Å; V374-K377 PolarHBondContact O-N 2.95Å
375	Q	80	Confident	83.4	Confident	139 Å²	139	52.8 Å²	52.8	65%	0.65	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-15.6	-166.6	-63.7	-171.3	-4.5	0	0	115.8	A399 R402	Q375-A399 HydrophobicContact CB-CB 3.87Å; Q375-A399 WeakPolarHBondContact O-CB 3.43Å; Q375-R402 PolarHBondContact O-NE 2.92Å; Q375-R402 PolarHBondContact O-NH2 3.39Å
376	N	86.9	Confident	82	Confident	46 Å²	46	61.7 Å²	61.7	25%	0.246	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	4.4	172.3	66.5	-35.7	0	0	0	113.8	V374 I395 F396	V374-N376 VanDerWaalsContact CG1-OD1 3.27Å; V374-N376 WeakPolarHBondContact CG1-OD1 3.18Å; V374-N376 PolarHBondContact O-N 3.22Å; N376-I395 WeakPolarHBondContact ND2-CG2 3.49Å; N376-F396 PolarHBondContact ND2-O 2.77Å; N376-F396 PolarHBondContact O-N 3.34Å
377	K	89.1	Confident	80.8	Confident	30 Å²	30	64.9 Å²	64.9	13%	0.13	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	134.6	176.8	179.7	177.8	170.3	168.3	0	111.5	D318 S371 V374 D393 F394 I395	D318-K377 WeakPolarHBondContact OD2-CE 3.41Å; D318-K377 IonicContact OD2-NZ 2.89Å; D318-K377 PolarHBondContact OD2-NZ 2.87Å; S371-K377 PolarHBondContact N-O 2.83Å; V374-K377 HydrophobicContact CB-CB 3.86Å; V374-K377 HydrophobicContact CG1-CB 3.66Å; V374-K377 WeakPolarHBondContact O-CB 3.47Å; V374-K377 PolarHBondContact O-N 2.95Å; K377-D393 VanDerWaalsContact CE-CG 3.48Å; K377-D393 WeakPolarHBondContact CE-OD2 3.18Å; K377-D393 IonicContact NZ-OD2 3.04Å; K377-D393 PolarHBondContact NZ-OD2 2.89Å; K377-F394 CarbonylContact C-O 3.49Å; K377-F394 WeakPolarHBondContact CA-O 3.35Å; K377-I395 HydrophobicContact CB-CG1 4.33Å; K377-I395 HydrophobicContact CG-CG1 4.31Å
378	L	89.4	Confident	80.2	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	119.5	178.1	-172.5	73.5	0	0	0	110	L368 I369 K370 V380 F394 F396 R402 F405	L368-L378 HydrophobicContact CB-CD1 4.31Å; I369-L378 WeakPolarHBondContact O-CA 3.44Å; K370-L378 HydrophobicContact CG-CD1 3.88Å; L378-V380 HydrophobicContact CD2-CG2 3.97Å; L378-V380 HydrophobicContact CG-CG2 4.19Å; L378-F394 PolarHBondContact N-O 3.04Å; L378-F394 PolarHBondContact O-N 3.05Å; L378-F396 HydrophobicContact CB-CD2 4.46Å; L378-F396 HydrophobicContact CB-CE2 3.96Å; L378-F396 HydrophobicContact CD2-CE2 4.18Å; L378-F396 HydrophobicContact CD2-CZ 4.45Å; L378-R402 HydrophobicContact CB-CG 3.95Å; L378-F405 HydrophobicContact CD2-CD1 3.66Å; L378-F405 HydrophobicContact CD2-CE1 3.84Å
379	G	88.1	Confident	80	Confident	1 Å²	1	74 Å²	74	1%	0.01	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	129.8	164.3	0	0	0	0	0	110	L368 I369 D393	L368-G379 CarbonylContact C-O 3.56Å; I369-G379 PolarHBondContact N-O 2.84Å; I369-G379 PolarHBondContact O-N 2.84Å; G379-D393 WeakPolarHBondContact CA-OD1 3.35Å
380	V	88.3	Confident	79.9	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.5	173.1	-176.1	0	0	0	0	108.4	I365 L368 L378 F382 R391 K392 F394 F405	I365-V380 HydrophobicContact CG2-CG1 3.87Å; L368-V380 HydrophobicContact CD2-CB 4.35Å; L368-V380 HydrophobicContact CD2-CG1 3.89Å; L368-V380 HydrophobicContact CD2-CG2 3.9Å; L378-V380 HydrophobicContact CD2-CG2 3.97Å; L378-V380 HydrophobicContact CG-CG2 4.19Å; V380-F382 HydrophobicContact CB-CE2 3.83Å; V380-F382 HydrophobicContact CB-CZ 3.99Å; V380-F382 HydrophobicContact CG1-CD1 4.34Å; V380-F382 HydrophobicContact CG1-CD2 4.19Å; V380-F382 HydrophobicContact CG1-CE1 3.74Å; V380-F382 HydrophobicContact CG1-CE2 3.56Å; V380-F382 HydrophobicContact CG1-CZ 3.32Å; V380-R391 CarbonylContact O-C 3.49Å; V380-R391 WeakPolarHBondContact O-CA 3.4Å; V380-K392 PolarHBondContact N-O 2.99Å; V380-K392 PolarHBondContact O-N 2.75Å; V380-F394 HydrophobicContact CB-CD2 4.31Å; V380-F394 HydrophobicContact CB-CE2 4.14Å; V380-F394 HydrophobicContact CG2-CD2 3.88Å; V380-F394 HydrophobicContact CG2-CE2 4.12Å; V380-F405 HydrophobicContact CG2-CE1 4.41Å
381	V	86.2	Confident	79.9	Confident	15 Å²	15	81.2 Å²	81.2	9%	0.091	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	114.1	-179	-175.1	0	0	0	0	109.2	R366 Q367 I369 T389 R391	R366-V381 HydrophobicContact CB-CG1 4.48Å; R366-V381 PolarHBondContact N-O 3.32Å; Q367-V381 HydrophobicContact CB-CB 3.93Å; Q367-V381 HydrophobicContact CB-CG2 3.94Å; Q367-V381 PolarHBondContact N-O 3.08Å; Q367-V381 PolarHBondContact O-N 3.49Å; I369-V381 HydrophobicContact CD1-CG2 3.81Å; I369-V381 HydrophobicContact CG1-CG2 4.39Å; V381-T389 HydrophobicContact CG1-CG2 3.97Å; V381-R391 HydrophobicContact CG2-CB 4.24Å; V381-R391 HydrophobicContact CG2-CG 4.31Å
382	F	85.4	Confident	80.1	Confident	1 Å²	1	82 Å²	82	0%	0.004	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	142.9	178.5	-61.2	-79	0	0	0	111.4	L344 F360 R364 I365 V380 T389 Q390 K392 F394	L344-F382 HydrophobicContact CD2-CE1 3.97Å; L344-F382 HydrophobicContact CD2-CZ 4.03Å; F360-F382 HydrophobicContact CB-CD1 4Å; F360-F382 HydrophobicContact CB-CE1 3.92Å; F360-F382 HydrophobicContact CD1-CB 4.07Å; F360-F382 AromaticContact CD1-CD1 3.25Å; F360-F382 HydrophobicContact CD1-CD1 3.25Å; F360-F382 AromaticContact CD1-CE1 3.8Å; F360-F382 HydrophobicContact CD1-CE1 3.8Å; F360-F382 AromaticContact CD1-CG 3.81Å; F360-F382 HydrophobicContact CD1-CG 3.81Å; F360-F382 HydrophobicContact CD2-CD1 4.04Å; F360-F382 AromaticContact CD2-CE1 3.69Å; F360-F382 HydrophobicContact CD2-CE1 3.69Å; F360-F382 HydrophobicContact CD2-CZ 4.22Å; F360-F382 HydrophobicContact CE1-CB 3.9Å; F360-F382 AromaticContact CE1-CD1 3.66Å; F360-F382 HydrophobicContact CE1-CD1 3.66Å; F360-F382 HydrophobicContact CE1-CD2 4.43Å; F360-F382 HydrophobicContact CE1-CE1 4.26Å; F360-F382 AromaticContact CE1-CG 3.74Å; F360-F382 HydrophobicContact CE1-CG 3.74Å; F360-F382 HydrophobicContact CE2-CD1 4.39Å; F360-F382 HydrophobicContact CE2-CE1 4.17Å; F360-F382 HydrophobicContact CE2-CZ 4.36Å; F360-F382 AromaticContact CG-CD1 3.47Å; F360-F382 HydrophobicContact CG-CD1 3.47Å; F360-F382 VanDerWaalsContact CG-CD1 3.47Å; F360-F382 AromaticContact CG-CE1 3.5Å; F360-F382 HydrophobicContact CG-CE1 3.5Å; F360-F382 HydrophobicContact CG-CG 4.37Å; F360-F382 HydrophobicContact CG-CZ 4.43Å; F360-F382 HydrophobicContact CZ-CD1 4.23Å; F360-F382 HydrophobicContact CZ-CE1 4.44Å; F360-F382 HydrophobicContact CZ-CG 4.25Å; R364-F382 CarbonylContact O-C 3.53Å; R364-F382 VanDerWaalsContact O-CA 3.29Å; R364-F382 WeakPolarHBondContact O-CA 3.25Å; I365-F382 HydrophobicContact CD1-CE1 4.44Å; I365-F382 HydrophobicContact CG1-CD1 4.15Å; I365-F382 HydrophobicContact CG1-CE1 4.05Å; V380-F382 HydrophobicContact CB-CE2 3.83Å; V380-F382 HydrophobicContact CB-CZ 3.99Å; V380-F382 HydrophobicContact CG1-CD1 4.34Å; V380-F382 HydrophobicContact CG1-CD2 4.19Å; V380-F382 HydrophobicContact CG1-CE1 3.74Å; V380-F382 HydrophobicContact CG1-CE2 3.56Å; V380-F382 HydrophobicContact CG1-CZ 3.32Å; F382-T389 CarbonylContact O-C 3.56Å; F382-T389 WeakPolarHBondContact O-CA 3.47Å; F382-Q390 PolarHBondContact N-O 3.32Å; F382-Q390 PolarHBondContact O-N 3.43Å; F382-K392 HydrophobicContact CD2-CD 4.22Å; F382-K392 HydrophobicContact CD2-CG 4.33Å; F382-K392 HydrophobicContact CE2-CB 4.22Å; F382-K392 HydrophobicContact CE2-CD 3.94Å; F382-K392 HydrophobicContact CE2-CG 4.26Å; F382-F394 HydrophobicContact CE2-CE2 4.2Å; F382-F394 HydrophobicContact CZ-CE2 4.47Å
383	E	81.9	Confident	80.6	Confident	43 Å²	43	76.8 Å²	76.8	20%	0.201	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	130.1	164.6	-173.8	168	-170.7	0	0	109.7	R364 R366	R364-E383 PolarHBondContact O-N 3.04Å; R366-E383 HydrophobicContact CG-CB 3.99Å; R366-E383 IonicContact CZ-OE2 3.68Å; R366-E383 IonicContact NE-OE2 3.63Å; R366-E383 PolarHBondContact NE-OE2 3.22Å; R366-E383 IonicContact NH2-OE1 3.64Å; R366-E383 PolarHBondContact NH2-OE1 3.03Å; R366-E383 IonicContact NH2-OE2 2.72Å; R366-E383 PolarHBondContact NH2-OE2 3.05Å
384	K	71.9	Confident	80.9	Confident	142 Å²	142	68.1 Å²	68.1	62%	0.617	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.7	-45.2	-178.9	-168.9	-171.7	176.6	-160.7	0	111.9	R388	K384-R388 PolarHBondContact N-O 3.21Å
385	E	72.2	Confident	81.2	Confident	88 Å²	88	67.5 Å²	67.5	41%	0.411	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	163.9	175.8	-65.7	158.3	-169.7	0	0	106.3	D387 R388	E385-D387 PolarHBondContact O-N 2.94Å; E385-R388 HydrophobicContact CB-CB 4.17Å; E385-R388 PolarHBondContact O-N 2.76Å; E385-R388 WeakPolarHBondContact OE2-CD 3.48Å; E385-R388 IonicContact OE2-CZ 2.91Å; E385-R388 IonicContact OE2-NE 2.68Å; E385-R388 IonicContact OE2-NH1 2.66Å; E385-R388 PolarHBondContact OE2-NH1 3.13Å
386	K	54.5	Low	81.6	Confident	188 Å²	188	61.1 Å²	61.1	82%	0.817	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	132.5	173.4	-80.7	-169.8	173	-173.3	0	110	R388	K386-R388 PolarHBondContact O-N 3.17Å
387	D	55.7	Low	81.7	Confident	167 Å²	167	64 Å²	64	89%	0.893	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	18.7	-177.6	-50.8	-37	0	0	0	115.7	E385	E385-D387 PolarHBondContact O-N 2.94Å
388	R	70.5	Confident	81.5	Confident	160 Å²	160	64.6 Å²	64.6	60%	0.604	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128	108.7	175.3	-77	174	165.9	-179.3	-0.5	112.4	K384 E385 K386	K384-R388 PolarHBondContact N-O 3.21Å; E385-R388 HydrophobicContact CB-CB 4.17Å; E385-R388 PolarHBondContact O-N 2.76Å; E385-R388 WeakPolarHBondContact OE2-CD 3.48Å; E385-R388 IonicContact OE2-CZ 2.91Å; E385-R388 IonicContact OE2-NE 2.68Å; E385-R388 IonicContact OE2-NH1 2.66Å; E385-R388 PolarHBondContact OE2-NH1 3.13Å; K386-R388 PolarHBondContact O-N 3.17Å
389	T	81.5	Confident	81.1	Confident	99 Å²	99	65.9 Å²	65.9	61%	0.607	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	156.4	176.9	55.4	0	0	0	0	113	V381 F382	V381-T389 HydrophobicContact CG1-CG2 3.97Å; F382-T389 CarbonylContact O-C 3.56Å; F382-T389 WeakPolarHBondContact O-CA 3.47Å
390	Q	83.8	Confident	80.5	Confident	85 Å²	85	71.4 Å²	71.4	40%	0.397	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	110.4	171.6	176.1	174.5	68.5	0	0	109.2	F382 K392	F382-Q390 PolarHBondContact N-O 3.32Å; F382-Q390 PolarHBondContact O-N 3.43Å; Q390-K392 HydrophobicContact CG-CG 4.32Å
391	R	85.6	Confident	80.2	Confident	104 Å²	104	75.7 Å²	75.7	39%	0.392	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	133.8	167.2	-176.5	169.8	166.2	163.1	-5.2	109.3	V380 V381 D393 D893	V380-R391 CarbonylContact O-C 3.49Å; V380-R391 WeakPolarHBondContact O-CA 3.4Å; V381-R391 HydrophobicContact CG2-CB 4.24Å; V381-R391 HydrophobicContact CG2-CG 4.31Å; R391-D393 WeakPolarHBondContact CG-OD1 3.39Å; R391-D393 IonicContact CZ-OD1 3.41Å; R391-D393 IonicContact CZ-OD2 2.73Å; R391-D393 IonicContact NE-OD1 3.36Å; R391-D393 PolarHBondContact NE-OD1 3.05Å; R391-D393 IonicContact NE-OD2 3.4Å; R391-D393 IonicContact NH2-OD1 3.88Å; R391-D393 PolarHBondContact NH2-OD1 3.16Å; R391-D393 IonicContact NH2-OD2 3.53Å; R391-D393 PolarHBondContact NH2-OD2 2.88Å; R391-D893 IonicContact CZ-OD2 2.73Å; R391-D893 IonicContact NH1-OD1 3.35Å; R391-D893 IonicContact NH1-OD2 3.82Å; R391-D893 PolarHBondContact NH1-OD2 3.38Å; R391-D893 IonicContact NH2-OD2 3.1Å; R391-D893 PolarHBondContact NH2-OD2 3.02Å
392	K	86.9	Confident	80.3	Confident	37 Å²	37	75.9 Å²	75.9	16%	0.161	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.7	166.7	-66.7	-177.7	-175	169.4	0	108.4	L317 L346 V380 F382 Q390 F394	L317-K392 HydrophobicContact CD1-CB 4.06Å; L346-K392 HydrophobicContact CD2-CD 4.08Å; L346-K392 VanDerWaalsContact CD2-NZ 3.31Å; V380-K392 PolarHBondContact N-O 2.99Å; V380-K392 PolarHBondContact O-N 2.75Å; F382-K392 HydrophobicContact CD2-CD 4.22Å; F382-K392 HydrophobicContact CD2-CG 4.33Å; F382-K392 HydrophobicContact CE2-CB 4.22Å; F382-K392 HydrophobicContact CE2-CD 3.94Å; F382-K392 HydrophobicContact CE2-CG 4.26Å; Q390-K392 HydrophobicContact CG-CG 4.32Å; K392-F394 HydrophobicContact CB-CD2 4.41Å; K392-F394 HydrophobicContact CB-CE1 4.48Å; K392-F394 HydrophobicContact CB-CE2 3.7Å; K392-F394 HydrophobicContact CB-CZ 3.75Å; K392-F394 HydrophobicContact CD-CE2 4.49Å; K392-F394 HydrophobicContact CD-CZ 3.9Å; K392-F394 HydrophobicContact CG-CZ 4.48Å
393	D	88.3	Confident	80.1	Confident	26 Å²	26	78.1 Å²	78.1	14%	0.139	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	115.7	-179.6	-84	15.2	0	0	0	109.9	D318 K377 G379 R391	D318-D393 HydrophobicContact CB-CB 3.96Å; D318-D393 PolarHBondContact N-O 2.88Å; K377-D393 VanDerWaalsContact CE-CG 3.48Å; K377-D393 WeakPolarHBondContact CE-OD2 3.18Å; K377-D393 IonicContact NZ-OD2 3.04Å; K377-D393 PolarHBondContact NZ-OD2 2.89Å; G379-D393 WeakPolarHBondContact CA-OD1 3.35Å; R391-D393 WeakPolarHBondContact CG-OD1 3.39Å; R391-D393 IonicContact CZ-OD1 3.41Å; R391-D393 IonicContact CZ-OD2 2.73Å; R391-D393 IonicContact NE-OD1 3.36Å; R391-D393 PolarHBondContact NE-OD1 3.05Å; R391-D393 IonicContact NE-OD2 3.4Å; R391-D393 IonicContact NH2-OD1 3.88Å; R391-D393 PolarHBondContact NH2-OD1 3.16Å; R391-D393 IonicContact NH2-OD2 3.53Å; R391-D393 PolarHBondContact NH2-OD2 2.88Å
394	F	90	Very high	80.2	Confident	1 Å²	1	76.1 Å²	76.1	0%	0.004	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.8	-178.3	-62.1	-72	0	0	0	111.4	V315 L317 L335 L346 K377 L378 V380 F382 K392 F396	V315-F394 HydrophobicContact CB-CB 4.25Å; V315-F394 HydrophobicContact CB-CD1 4.41Å; V315-F394 HydrophobicContact CG1-CB 4.45Å; V315-F394 HydrophobicContact CG2-CB 4.28Å; V315-F394 HydrophobicContact CG2-CD1 3.59Å; V315-F394 HydrophobicContact CG2-CE1 4.27Å; V315-F394 HydrophobicContact CG2-CG 4.22Å; L317-F394 HydrophobicContact CD1-CD1 4.02Å; L317-F394 HydrophobicContact CD1-CE1 3.82Å; L317-F394 HydrophobicContact CD1-CZ 4.45Å; L335-F394 HydrophobicContact CD1-CB 4.45Å; L335-F394 HydrophobicContact CD1-CD1 4.24Å; L335-F394 HydrophobicContact CD1-CD2 4.08Å; L335-F394 HydrophobicContact CD1-CE1 4.48Å; L335-F394 HydrophobicContact CD1-CE2 4.33Å; L335-F394 HydrophobicContact CD1-CG 4.02Å; L335-F394 HydrophobicContact CD2-CE1 4.45Å; L335-F394 HydrophobicContact CD2-CE2 4.31Å; L335-F394 HydrophobicContact CD2-CZ 4.09Å; L346-F394 HydrophobicContact CD1-CE1 3.77Å; L346-F394 HydrophobicContact CD1-CZ 3.9Å; L346-F394 HydrophobicContact CD2-CZ 4.15Å; K377-F394 CarbonylContact C-O 3.49Å; K377-F394 WeakPolarHBondContact CA-O 3.35Å; L378-F394 PolarHBondContact N-O 3.04Å; L378-F394 PolarHBondContact O-N 3.05Å; V380-F394 HydrophobicContact CB-CD2 4.31Å; V380-F394 HydrophobicContact CB-CE2 4.14Å; V380-F394 HydrophobicContact CG2-CD2 3.88Å; V380-F394 HydrophobicContact CG2-CE2 4.12Å; F382-F394 HydrophobicContact CE2-CE2 4.2Å; F382-F394 HydrophobicContact CZ-CE2 4.47Å; K392-F394 HydrophobicContact CB-CD2 4.41Å; K392-F394 HydrophobicContact CB-CE1 4.48Å; K392-F394 HydrophobicContact CB-CE2 3.7Å; K392-F394 HydrophobicContact CB-CZ 3.75Å; K392-F394 HydrophobicContact CD-CE2 4.49Å; K392-F394 HydrophobicContact CD-CZ 3.9Å; K392-F394 HydrophobicContact CG-CZ 4.48Å; F394-F396 HydrophobicContact CB-CD2 4.49Å; F394-F396 HydrophobicContact CB-CE2 3.96Å
395	I	88.2	Confident	80.9	Confident	45 Å²	45	69.4 Å²	69.4	23%	0.231	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	114.2	173.4	-58	173	0	0	0	108.3	V315 K316 D318 N376 K377	V315-I395 CarbonylContact C-O 3.58Å; V315-I395 WeakPolarHBondContact CA-O 3.33Å; K316-I395 HydrophobicContact CB-CB 4.46Å; K316-I395 PolarHBondContact N-O 2.77Å; K316-I395 PolarHBondContact O-N 3.42Å; D318-I395 HydrophobicContact CB-CD1 3.9Å; D318-I395 HydrophobicContact CB-CG1 4.14Å; N376-I395 WeakPolarHBondContact ND2-CG2 3.49Å; K377-I395 HydrophobicContact CB-CG1 4.33Å; K377-I395 HydrophobicContact CG-CG1 4.31Å
396	F	90.1	Very high	81.4	Confident	5 Å²	5	65.2 Å²	65.2	2%	0.022	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	162.8	178.7	-71.7	-105.9	0	0	0	111.7	F313 V315 L335 N376 L378 F394 S398 R402 F405	F313-F396 HydrophobicContact CB-CD1 4.42Å; F313-F396 HydrophobicContact CB-CE1 4.05Å; F313-F396 HydrophobicContact CD1-CD1 4.33Å; F313-F396 HydrophobicContact CD1-CE1 4.18Å; F313-F396 HydrophobicContact CG-CE1 4.22Å; V315-F396 HydrophobicContact CG1-CB 4.49Å; V315-F396 HydrophobicContact CG1-CD1 3.62Å; V315-F396 HydrophobicContact CG1-CD2 3.96Å; V315-F396 HydrophobicContact CG1-CE1 3.63Å; V315-F396 HydrophobicContact CG1-CE2 3.95Å; V315-F396 HydrophobicContact CG1-CG 3.77Å; V315-F396 HydrophobicContact CG1-CZ 3.79Å; L335-F396 HydrophobicContact CD1-CE1 4.48Å; L335-F396 HydrophobicContact CD1-CZ 3.89Å; N376-F396 PolarHBondContact ND2-O 2.77Å; N376-F396 PolarHBondContact O-N 3.34Å; L378-F396 HydrophobicContact CB-CD2 4.46Å; L378-F396 HydrophobicContact CB-CE2 3.96Å; L378-F396 HydrophobicContact CD2-CE2 4.18Å; L378-F396 HydrophobicContact CD2-CZ 4.45Å; F394-F396 HydrophobicContact CB-CD2 4.49Å; F394-F396 HydrophobicContact CB-CE2 3.96Å; F396-S398 PolarHBondContact O-N 2.89Å; F396-R402 HydrophobicContact CB-CB 3.9Å; F396-R402 HydrophobicContact CD1-CB 4.28Å; F396-R402 HydrophobicContact CD2-CB 3.86Å; F396-R402 HydrophobicContact CD2-CG 3.68Å; F396-R402 HydrophobicContact CE2-CG 4.11Å; F396-R402 HydrophobicContact CG-CB 3.74Å; F396-R402 HydrophobicContact CG-CG 4.11Å; F396-F405 HydrophobicContact CE1-CB 3.57Å; F396-F405 HydrophobicContact CE1-CD1 4.01Å; F396-F405 HydrophobicContact CE1-CD2 4.08Å; F396-F405 AromaticContact CE1-CG 3.62Å; F396-F405 HydrophobicContact CE1-CG 3.62Å; F396-F405 HydrophobicContact CE2-CD1 4.35Å; F396-F405 HydrophobicContact CZ-CB 3.89Å; F396-F405 AromaticContact CZ-CD1 3.42Å; F396-F405 HydrophobicContact CZ-CD1 3.42Å; F396-F405 VanDerWaalsContact CZ-CD1 3.42Å; F396-F405 HydrophobicContact CZ-CD2 4.15Å; F396-F405 AromaticContact CZ-CE1 3.9Å; F396-F405 HydrophobicContact CZ-CE1 3.9Å; F396-F405 AromaticContact CZ-CG 3.54Å; F396-F405 HydrophobicContact CZ-CG 3.54Å; F396-F405 HydrophobicContact CZ-CZ 4.45Å
397	V	87.8	Confident	82.7	Confident	107 Å²	107	57.6 Å²	57.6	65%	0.648	28%	0.281	S	S	*	.	S	Bend	trans	-60	-32.9	175	-176.1	0	0	0	0	112.4	E314	E314-V397 HydrophobicContact CB-CG2 4.45Å
398	S	85	Confident	84	Confident	42 Å²	42	49.7 Å²	49.7	29%	0.294	24%	0.239	S	C	.	.			trans	-152.3	161.8	176.1	70.9	0	0	0	0	112.2	F396 R400 K401 R402	F396-S398 PolarHBondContact O-N 2.89Å; S398-R400 PolarHBondContact O-N 3.42Å; S398-K401 PolarHBondContact O-N 2.99Å; S398-K401 PolarHBondContact OG-N 3.38Å; S398-R402 PolarHBondContact O-N 2.95Å; S398-R402 VanDerWaalsContact O-N 3.15Å
399	A	80.5	Confident	84.7	Confident	28 Å²	28	42.1 Å²	42.1	23%	0.231	21%	0.21	C	C	.	.	H	α-helix	trans	-60.7	-32.8	173	0	0	0	0	0	112.4	Q375 R402 E403	Q375-A399 HydrophobicContact CB-CB 3.87Å; Q375-A399 WeakPolarHBondContact O-CB 3.43Å; A399-R402 WeakPolarHBondContact O-CB 3.42Å; A399-R402 PolarHBondContact O-N 3.24Å; A399-E403 PolarHBondContact O-N 2.95Å
400	R	75.7	Confident	84.5	Confident	117 Å²	117	37.7 Å²	37.7	44%	0.442	18%	0.182	S	C	.	.	H	α-helix	trans	-64.2	-49.2	176.5	-159.2	-168.2	-156.2	-175.1	14.1	112.2	S398 R402 E403 A404 A455 L456 D457	S398-R400 PolarHBondContact O-N 3.42Å; R400-R402 PolarHBondContact O-N 2.88Å; R400-E403 PolarHBondContact O-N 3.41Å; R400-E403 VanDerWaalsContact O-N 3.15Å; R400-A404 PolarHBondContact O-N 2.86Å; R400-A455 PolarHBondContact NE-O 2.88Å; R400-A455 VanDerWaalsContact NE-O 3.14Å; R400-A455 VanDerWaalsContact NH2-C 3.27Å; R400-A455 PolarHBondContact NH2-O 2.86Å; R400-L456 VanDerWaalsContact CZ-O 3.24Å; R400-L456 PolarHBondContact NH2-O 3.49Å; R400-D457 WeakPolarHBondContact CD-OD2 3.2Å; R400-D457 HydrophobicContact CG-CB 4.1Å
401	K	83.3	Confident	84.2	Confident	90 Å²	90	35.4 Å²	35.4	39%	0.391	17%	0.173	S	C	.	.	H	α-helix	trans	-64.9	-28.2	175.7	-70.8	-163	175.7	-165.3	0	112.5	F313 S398 F405	F313-K401 HydrophobicContact CD1-CB 4.22Å; F313-K401 HydrophobicContact CE1-CB 4.34Å; F313-K401 VanDerWaalsContact CE1-O 3.3Å; F313-K401 WeakPolarHBondContact CE1-O 3.41Å; S398-K401 PolarHBondContact O-N 2.99Å; S398-K401 PolarHBondContact OG-N 3.38Å; K401-F405 WeakPolarHBondContact O-CB 3.42Å; K401-F405 PolarHBondContact O-N 2.85Å
402	R	87.3	Confident	84.1	Confident	19 Å²	19	30.5 Å²	30.5	7%	0.072	15%	0.154	C	C	.	.	H	α-helix	trans	-72	-36.2	173.9	-173	-83	-50	153.2	12.4	112.3	K370 Q375 L378 F396 S398 A399 R400 C406	K370-R402 VanDerWaalsContact CD-NH1 3.31Å; Q375-R402 PolarHBondContact O-NE 2.92Å; Q375-R402 PolarHBondContact O-NH2 3.39Å; L378-R402 HydrophobicContact CB-CG 3.95Å; F396-R402 HydrophobicContact CB-CB 3.9Å; F396-R402 HydrophobicContact CD1-CB 4.28Å; F396-R402 HydrophobicContact CD2-CB 3.86Å; F396-R402 HydrophobicContact CD2-CG 3.68Å; F396-R402 HydrophobicContact CE2-CG 4.11Å; F396-R402 HydrophobicContact CG-CB 3.74Å; F396-R402 HydrophobicContact CG-CG 4.11Å; S398-R402 PolarHBondContact O-N 2.95Å; S398-R402 VanDerWaalsContact O-N 3.15Å; A399-R402 WeakPolarHBondContact O-CB 3.42Å; A399-R402 PolarHBondContact O-N 3.24Å; R400-R402 PolarHBondContact O-N 2.88Å; R402-C406 PolarHBondContact O-N 3.44Å; R402-C406 PolarHBondContact O-SG 2.73Å
403	E	82.3	Confident	83.6	Confident	48 Å²	48	30 Å²	30	22%	0.224	15%	0.152	C	C	.	.	H	α-helix	trans	-68.3	-45.8	167.8	-70.7	-60.2	170.7	0	0	112.2	K370 A399 R400 F405 C406 Q407	K370-E403 VanDerWaalsContact CE-OE2 3.28Å; K370-E403 WeakPolarHBondContact CE-OE2 3.44Å; K370-E403 IonicContact NZ-OE1 3.65Å; K370-E403 PolarHBondContact NZ-OE1 2.96Å; K370-E403 IonicContact NZ-OE2 3.13Å; K370-E403 PolarHBondContact NZ-OE2 2.82Å; A399-E403 PolarHBondContact O-N 2.95Å; R400-E403 PolarHBondContact O-N 3.41Å; R400-E403 VanDerWaalsContact O-N 3.15Å; E403-F405 PolarHBondContact O-N 3.4Å; E403-C406 WeakPolarHBondContact O-CA 3.34Å; E403-C406 WeakPolarHBondContact O-CB 3.2Å; E403-C406 PolarHBondContact O-N 2.86Å; E403-Q407 PolarHBondContact O-N 3.24Å
404	A	82.3	Confident	83	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-56.7	-38.1	178.2	0	0	0	0	0	112.4	F313 R400 L408 D457 T460	F313-A404 HydrophobicContact CE1-CB 4.18Å; F313-A404 HydrophobicContact CZ-CB 4.33Å; R400-A404 PolarHBondContact O-N 2.86Å; A404-L408 WeakPolarHBondContact O-CG 3.39Å; A404-L408 PolarHBondContact O-N 2.84Å; A404-D457 HydrophobicContact CB-CB 3.94Å; A404-T460 HydrophobicContact CB-CG2 3.68Å
405	F	86.7	Confident	82.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-40.7	172.3	-179.5	-99.4	0	0	0	113.1	F313 L335 V337 L344 L378 V380 F396 K401 E403 L409	F313-F405 HydrophobicContact CD1-CB 4.32Å; F313-F405 HydrophobicContact CD2-CB 4.49Å; F313-F405 AromaticContact CD2-CD2 3.69Å; F313-F405 HydrophobicContact CD2-CD2 3.69Å; F313-F405 HydrophobicContact CD2-CE2 4.49Å; F313-F405 HydrophobicContact CE1-CB 4.07Å; F313-F405 HydrophobicContact CE2-CB 4.24Å; F313-F405 AromaticContact CE2-CD2 3.85Å; F313-F405 HydrophobicContact CE2-CD2 3.85Å; F313-F405 HydrophobicContact CG-CD2 4.19Å; F313-F405 HydrophobicContact CZ-CB 4.02Å; F313-F405 HydrophobicContact CZ-CD2 4.48Å; L335-F405 HydrophobicContact CB-CE2 3.83Å; L335-F405 HydrophobicContact CB-CZ 4.35Å; L335-F405 HydrophobicContact CD1-CE1 4.34Å; L335-F405 HydrophobicContact CD1-CE2 3.98Å; L335-F405 HydrophobicContact CD1-CZ 3.78Å; L335-F405 HydrophobicContact CD2-CZ 4.43Å; L335-F405 HydrophobicContact CG-CE2 4.39Å; L335-F405 HydrophobicContact CG-CZ 4.43Å; V337-F405 HydrophobicContact CG2-CD2 3.66Å; V337-F405 HydrophobicContact CG2-CE2 3.52Å; L344-F405 HydrophobicContact CD1-CE2 3.7Å; L344-F405 HydrophobicContact CD1-CZ 3.87Å; L344-F405 HydrophobicContact CD2-CZ 4.03Å; L378-F405 HydrophobicContact CD2-CD1 3.66Å; L378-F405 HydrophobicContact CD2-CE1 3.84Å; V380-F405 HydrophobicContact CG2-CE1 4.41Å; F396-F405 HydrophobicContact CE1-CB 3.57Å; F396-F405 HydrophobicContact CE1-CD1 4.01Å; F396-F405 HydrophobicContact CE1-CD2 4.08Å; F396-F405 AromaticContact CE1-CG 3.62Å; F396-F405 HydrophobicContact CE1-CG 3.62Å; F396-F405 HydrophobicContact CE2-CD1 4.35Å; F396-F405 HydrophobicContact CZ-CB 3.89Å; F396-F405 AromaticContact CZ-CD1 3.42Å; F396-F405 HydrophobicContact CZ-CD1 3.42Å; F396-F405 VanDerWaalsContact CZ-CD1 3.42Å; F396-F405 HydrophobicContact CZ-CD2 4.15Å; F396-F405 AromaticContact CZ-CE1 3.9Å; F396-F405 HydrophobicContact CZ-CE1 3.9Å; F396-F405 AromaticContact CZ-CG 3.54Å; F396-F405 HydrophobicContact CZ-CG 3.54Å; F396-F405 HydrophobicContact CZ-CZ 4.45Å; K401-F405 WeakPolarHBondContact O-CB 3.42Å; K401-F405 PolarHBondContact O-N 2.85Å; E403-F405 PolarHBondContact O-N 3.4Å; F405-L409 HydrophobicContact CD1-CD1 3.98Å; F405-L409 HydrophobicContact CD1-CG 4.44Å; F405-L409 HydrophobicContact CE1-CD1 3.31Å; F405-L409 HydrophobicContact CE1-CG 4.07Å; F405-L409 HydrophobicContact CE2-CD1 4.32Å; F405-L409 HydrophobicContact CE2-CG 4.36Å; F405-L409 HydrophobicContact CZ-CD1 3.51Å; F405-L409 HydrophobicContact CZ-CD2 4.47Å; F405-L409 HydrophobicContact CZ-CG 4.02Å; F405-L409 WeakPolarHBondContact O-CB 3.4Å; F405-L409 WeakPolarHBondContact O-CG 3.44Å; F405-L409 PolarHBondContact O-N 2.83Å
406	C	83.8	Confident	82	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.4	-49.2	174.3	-65.7	0	0	0	0	110.9	R402 E403 L408 L409 Q410 I890	R402-C406 PolarHBondContact O-N 3.44Å; R402-C406 PolarHBondContact O-SG 2.73Å; E403-C406 WeakPolarHBondContact O-CA 3.34Å; E403-C406 WeakPolarHBondContact O-CB 3.2Å; E403-C406 PolarHBondContact O-N 2.86Å; C406-L408 PolarHBondContact O-N 2.89Å; C406-L409 CarbonylContact O-C 3.59Å; C406-L409 PolarHBondContact O-N 3.42Å; C406-L409 VanDerWaalsContact O-N 3.09Å; C406-Q410 VanDerWaalsContact C-OE1 3.23Å; C406-Q410 WeakPolarHBondContact O-CG 3.3Å; C406-Q410 PolarHBondContact O-N 3.16Å; C406-Q410 PolarHBondContact O-OE1 2.91Å; C406-I890 HydrophobicContact CB-CD1 4.16Å
407	Q	80.4	Confident	81	Confident	29 Å²	29	38.2 Å²	38.2	14%	0.136	19%	0.189	C	C	.	.	H	α-helix	trans	-62.9	-40.6	-178.4	-68.7	177.3	9	0	0	112.4	E403 Q410 L411 T460 N706	E403-Q407 PolarHBondContact O-N 3.24Å; Q407-Q410 PolarHBondContact O-N 3Å; Q407-L411 WeakPolarHBondContact O-CB 3.4Å; Q407-L411 PolarHBondContact O-N 2.87Å; Q407-T460 HydrophobicContact CB-CG2 4.34Å; Q407-N706 PolarHBondContact NE2-ND2 2.85Å; Q407-N706 PolarHBondContact NE2-OD1 3.08Å; Q407-N706 VanDerWaalsContact NE2-OD1 3.09Å
408	L	84.4	Confident	79.9	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-64.2	-40.1	172.1	-75.4	179.5	0	0	0	112.6	I308 Q311 F313 V337 V339 A404 C406 L411 M412 V459 I463	I308-L408 HydrophobicContact CG2-CD2 4.18Å; Q311-L408 HydrophobicContact CB-CD1 3.67Å; Q311-L408 HydrophobicContact CG-CD1 4.11Å; F313-L408 HydrophobicContact CE2-CD1 3.84Å; F313-L408 HydrophobicContact CZ-CD1 3.92Å; V337-L408 HydrophobicContact CB-CB 4.37Å; V337-L408 HydrophobicContact CB-CD1 4.29Å; V337-L408 HydrophobicContact CG1-CB 4.05Å; V337-L408 HydrophobicContact CG2-CB 4.43Å; V337-L408 HydrophobicContact CG2-CD1 4.46Å; V339-L408 HydrophobicContact CG2-CB 4.38Å; V339-L408 HydrophobicContact CG2-CD2 3.85Å; A404-L408 WeakPolarHBondContact O-CG 3.39Å; A404-L408 PolarHBondContact O-N 2.84Å; C406-L408 PolarHBondContact O-N 2.89Å; L408-L411 PolarHBondContact O-N 3.14Å; L408-M412 VanDerWaalsContact O-CB 3.26Å; L408-M412 WeakPolarHBondContact O-CB 3.36Å; L408-M412 PolarHBondContact O-N 3.09Å; L408-V459 HydrophobicContact CD1-CG1 3.58Å; L408-V459 HydrophobicContact CD2-CG1 4.3Å; L408-V459 HydrophobicContact CG-CG1 4.11Å; L408-I463 HydrophobicContact CD2-CD1 4.11Å
409	L	84.3	Confident	78.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-67.5	-36.4	176	-79.2	-169.4	0	0	0	112.4	V337 L344 I365 L368 F405 C406 M412 K413 W889	V337-L409 HydrophobicContact CG1-CD2 4.06Å; V337-L409 HydrophobicContact CG2-CD2 4.26Å; L344-L409 HydrophobicContact CB-CD2 4.37Å; L344-L409 HydrophobicContact CD1-CD2 4.47Å; L344-L409 HydrophobicContact CD2-CD2 4.34Å; I365-L409 HydrophobicContact CD1-CD2 4.02Å; L368-L409 HydrophobicContact CD1-CB 4.17Å; L368-L409 HydrophobicContact CD1-CD1 4.03Å; L368-L409 HydrophobicContact CD2-CD1 3.76Å; F405-L409 HydrophobicContact CD1-CD1 3.98Å; F405-L409 HydrophobicContact CD1-CG 4.44Å; F405-L409 HydrophobicContact CE1-CD1 3.31Å; F405-L409 HydrophobicContact CE1-CG 4.07Å; F405-L409 HydrophobicContact CE2-CD1 4.32Å; F405-L409 HydrophobicContact CE2-CG 4.36Å; F405-L409 HydrophobicContact CZ-CD1 3.51Å; F405-L409 HydrophobicContact CZ-CD2 4.47Å; F405-L409 HydrophobicContact CZ-CG 4.02Å; F405-L409 WeakPolarHBondContact O-CB 3.4Å; F405-L409 WeakPolarHBondContact O-CG 3.44Å; F405-L409 PolarHBondContact O-N 2.83Å; C406-L409 CarbonylContact O-C 3.59Å; C406-L409 PolarHBondContact O-N 3.42Å; C406-L409 VanDerWaalsContact O-N 3.09Å; L409-M412 HydrophobicContact CD2-CE 3.49Å; L409-M412 VanDerWaalsContact CD2-CE 3.49Å; L409-M412 HydrophobicContact CD2-SD 4.32Å; L409-K413 WeakPolarHBondContact O-CB 3.35Å; L409-K413 PolarHBondContact O-N 3.28Å; L409-W889 HydrophobicContact CB-CH2 3.85Å; L409-W889 HydrophobicContact CB-CZ3 4.18Å; L409-W889 WeakPolarHBondContact O-CH2 3.4Å
410	Q	77.9	Confident	78.1	Confident	7 Å²	7	49 Å²	49	3%	0.033	22%	0.224	C	C	.	.	H	α-helix	trans	-63	-52.3	171.7	-70.8	162.9	-95	0	0	110	C406 Q407 M412 K413 N414 E727 W889 I890	C406-Q410 VanDerWaalsContact C-OE1 3.23Å; C406-Q410 WeakPolarHBondContact O-CG 3.3Å; C406-Q410 PolarHBondContact O-N 3.16Å; C406-Q410 PolarHBondContact O-OE1 2.91Å; Q407-Q410 PolarHBondContact O-N 3Å; Q410-M412 VanDerWaalsContact C-N 3.27Å; Q410-M412 PolarHBondContact O-N 2.98Å; Q410-K413 PolarHBondContact O-N 2.87Å; Q410-N414 WeakPolarHBondContact O-CB 3.29Å; Q410-N414 PolarHBondContact O-N 3.06Å; Q410-N414 PolarHBondContact O-OD1 3.25Å; Q410-E727 VanDerWaalsContact NE2-CD 3.27Å; Q410-E727 PolarHBondContact NE2-OE1 3.12Å; Q410-E727 PolarHBondContact NE2-OE2 3.2Å; Q410-W889 HydrophobicContact CG-CE3 4.22Å; Q410-W889 HydrophobicContact CG-CZ3 3.98Å; Q410-I890 HydrophobicContact CG-CD1 3.7Å; Q410-I890 VanDerWaalsContact OE1-CD1 3.32Å
411	L	77.2	Confident	78.1	Confident	37 Å²	37	46 Å²	46	19%	0.194	22%	0.215	C	C	.	.	H	α-helix	trans	-58.6	-38.8	178.3	-174.7	62.1	0	0	0	112.6	I308 V339 Q407 L408 R415 I463	I308-L411 HydrophobicContact CD1-CD2 3.4Å; I308-L411 VanDerWaalsContact CD1-CD2 3.4Å; V339-L411 HydrophobicContact CG1-CB 4.49Å; V339-L411 HydrophobicContact CG1-CD2 4.14Å; V339-L411 HydrophobicContact CG1-CG 3.95Å; Q407-L411 WeakPolarHBondContact O-CB 3.4Å; Q407-L411 PolarHBondContact O-N 2.87Å; L408-L411 PolarHBondContact O-N 3.14Å; L411-R415 VanDerWaalsContact O-CB 3.29Å; L411-R415 WeakPolarHBondContact O-CB 3.38Å; L411-R415 PolarHBondContact O-N 3.16Å; L411-I463 HydrophobicContact CD2-CD1 4.07Å; L411-I463 HydrophobicContact CD2-CG1 4.01Å; L411-I463 HydrophobicContact CD2-CG2 3.82Å
412	M	83.4	Confident	78.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.5	-43.6	172.6	-175.3	-171.6	73.5	0	0	112	V337 V339 G342 R343 H362 I365 L408 L409 Q410 H416	V337-M412 HydrophobicContact CG1-SD 4.06Å; V339-M412 HydrophobicContact CG1-CB 4.43Å; V339-M412 HydrophobicContact CG2-CB 4.41Å; G342-M412 VanDerWaalsContact C-SD 3.55Å; R343-M412 PolarHBondContact N-SD 3.3Å; R343-M412 VanDerWaalsContact N-SD 3.36Å; H362-M412 HydrophobicContact CB-CE 3.87Å; H362-M412 HydrophobicContact CB-CG 4.4Å; I365-M412 HydrophobicContact CD1-CE 3.88Å; L408-M412 VanDerWaalsContact O-CB 3.26Å; L408-M412 WeakPolarHBondContact O-CB 3.36Å; L408-M412 PolarHBondContact O-N 3.09Å; L409-M412 HydrophobicContact CD2-CE 3.49Å; L409-M412 VanDerWaalsContact CD2-CE 3.49Å; L409-M412 HydrophobicContact CD2-SD 4.32Å; Q410-M412 VanDerWaalsContact C-N 3.27Å; Q410-M412 PolarHBondContact O-N 2.98Å; M412-H416 PolarHBondContact O-CD2 2.97Å; M412-H416 VanDerWaalsContact O-CD2 3.26Å; M412-H416 PolarHBondContact O-N 3.05Å
413	K	77.6	Confident	77.9	Confident	26 Å²	26	42.6 Å²	42.6	11%	0.113	20%	0.204	C	C	.	.	H	α-helix	trans	-65.4	-46.7	176.9	-167	175.2	-178.6	-178.5	0	110.9	L409 Q410 R415 H416 S417 L886 W889	L409-K413 WeakPolarHBondContact O-CB 3.35Å; L409-K413 PolarHBondContact O-N 3.28Å; Q410-K413 PolarHBondContact O-N 2.87Å; K413-R415 PolarHBondContact O-N 3.06Å; K413-H416 PolarHBondContact O-N 3.01Å; K413-S417 VanDerWaalsContact O-CB 3.24Å; K413-S417 WeakPolarHBondContact O-CB 3.5Å; K413-S417 PolarHBondContact O-N 3.41Å; K413-L886 HydrophobicContact CB-CD2 4.37Å; K413-L886 HydrophobicContact CD-CD2 3.79Å; K413-L886 HydrophobicContact CG-CD2 3.77Å; K413-W889 HydrophobicContact CB-CH2 4.02Å; K413-W889 HydrophobicContact CB-CZ3 4.19Å; K413-W889 HydrophobicContact CD-CD2 3.71Å; K413-W889 HydrophobicContact CD-CE3 3.91Å; K413-W889 HydrophobicContact CD-CG 4.22Å; K413-W889 HydrophobicContact CD-CH2 3.9Å; K413-W889 HydrophobicContact CD-CZ2 3.74Å; K413-W889 HydrophobicContact CD-CZ3 4.02Å; K413-W889 VanDerWaalsContact NZ-CG 3.29Å
414	N	74.2	Confident	78.1	Confident	51 Å²	51	40.9 Å²	40.9	27%	0.273	20%	0.196	S	C	.	.	H	α-helix	trans	-60.1	-42	178.8	-62.5	12.7	0	0	0	112	Q410 H416 S417 L886	Q410-N414 WeakPolarHBondContact O-CB 3.29Å; Q410-N414 PolarHBondContact O-N 3.06Å; Q410-N414 PolarHBondContact O-OD1 3.25Å; N414-H416 VanDerWaalsContact C-N 3.34Å; N414-H416 PolarHBondContact O-N 2.66Å; N414-S417 PolarHBondContact O-OG 2.92Å; N414-L886 VanDerWaalsContact OD1-CD1 3.31Å; N414-L886 WeakPolarHBondContact OD1-CD1 3.3Å; N414-L886 WeakPolarHBondContact OD1-CD2 3.44Å
415	R	78	Confident	78.6	Confident	119 Å²	119	41 Å²	41	45%	0.449	20%	0.197	S	C	.	.	H	α-helix	trans	-68	-30.5	179.6	-177.7	174.8	-64.2	-153	6.6	113.4	E340 L411 K413	E340-R415 IonicContact OE1-CZ 2.69Å; E340-R415 IonicContact OE1-NH1 2.73Å; E340-R415 PolarHBondContact OE1-NH1 3.18Å; E340-R415 IonicContact OE1-NH2 3.94Å; E340-R415 IonicContact OE2-CZ 3.17Å; E340-R415 IonicContact OE2-NH1 2.73Å; E340-R415 PolarHBondContact OE2-NH1 3.09Å; L411-R415 VanDerWaalsContact O-CB 3.29Å; L411-R415 WeakPolarHBondContact O-CB 3.38Å; L411-R415 PolarHBondContact O-N 3.16Å; K413-R415 PolarHBondContact O-N 3.06Å
416	H	78.9	Confident	79	Confident	49 Å²	49	42.3 Å²	42.3	23%	0.227	21%	0.206	C	C	.	.	H	α-helix	trans	-109.3	-7.5	-172.2	-69.4	-95.1	0	0	0	114.6	V339 E340 G342 H362 M412 K413 N414 K418	V339-H416 PolarHBondContact O-NE2 2.85Å; E340-H416 PolarHBondContact O-CE1 3.16Å; E340-H416 PolarHBondContact O-NE2 3.38Å; E340-H416 VanDerWaalsContact O-NE2 3.11Å; G342-H416 WeakPolarHBondContact CA-NE2 3.44Å; G342-H416 PolarHBondContact N-CE1 3.35Å; G342-H416 PolarHBondContact N-NE2 3.26Å; H362-H416 WeakPolarHBondContact ND1-CB 3.18Å; H362-H416 PolarHBondContact NE2-O 3.08Å; M412-H416 PolarHBondContact O-CD2 2.97Å; M412-H416 VanDerWaalsContact O-CD2 3.26Å; M412-H416 PolarHBondContact O-N 3.05Å; K413-H416 PolarHBondContact O-N 3.01Å; N414-H416 VanDerWaalsContact C-N 3.34Å; N414-H416 PolarHBondContact O-N 2.66Å; H416-K418 PolarHBondContact O-N 3.13Å; H416-K418 VanDerWaalsContact O-N 3.1Å
417	S	69.3	Low	79.7	Confident	32 Å²	32	42.3 Å²	42.3	22%	0.224	21%	0.206	C	C	.	.	S	Bend	trans	-65	-12.1	-177.1	63.9	0	0	0	0	115.5	K413 N414 Q419	K413-S417 VanDerWaalsContact O-CB 3.24Å; K413-S417 WeakPolarHBondContact O-CB 3.5Å; K413-S417 PolarHBondContact O-N 3.41Å; N414-S417 PolarHBondContact O-OG 2.92Å; S417-Q419 PolarHBondContact O-N 2.91Å; S417-Q419 PolarHBondContact OG-OE1 2.69Å
418	K	65.1	Low	80.5	Confident	198 Å²	198	41 Å²	41	86%	0.861	20%	0.199	S	C	*	.			trans	57.8	29.9	-174.8	-49.6	179.6	-176.2	176.9	0	113.8	H416	H416-K418 PolarHBondContact O-N 3.13Å; H416-K418 VanDerWaalsContact O-N 3.1Å
419	Q	62.1	Low	81.2	Confident	57 Å²	57	40.9 Å²	40.9	27%	0.266	20%	0.199	S	C	.	.			trans	-87.2	127.7	173.8	-68.3	162.3	-37	0	0	109.2	S417 E421	S417-Q419 PolarHBondContact O-N 2.91Å; S417-Q419 PolarHBondContact OG-OE1 2.69Å; Q419-E421 VanDerWaalsContact C-N 3.26Å; Q419-E421 PolarHBondContact O-N 2.98Å
420	D	65.8	Low	81.9	Confident	148 Å²	148	40.9 Å²	40.9	79%	0.791	20%	0.199	S	C	*	.	S	Bend	trans	-66.4	-31	-179.3	-52.5	-64	0	0	0	112.3	R522	D420-R522 PolarHBondContact O-NH2 2.96Å
421	E	76.1	Confident	82.9	Confident	55 Å²	55	40.6 Å²	40.6	26%	0.257	20%	0.197	S	C	.	.	S	Bend	trans	-123.9	139.5	-178.3	-71.5	-57.1	126.4	0	0	111.6	Q419 R522 N552 R883	Q419-E421 VanDerWaalsContact C-N 3.26Å; Q419-E421 PolarHBondContact O-N 2.98Å; E421-R522 VanDerWaalsContact CD-NE 3.31Å; E421-R522 IonicContact OE1-CZ 3.79Å; E421-R522 IonicContact OE1-NE 3.53Å; E421-R522 PolarHBondContact OE1-NE 2.99Å; E421-R522 VanDerWaalsContact OE1-NE 3.1Å; E421-R522 IonicContact OE1-NH2 3.73Å; E421-R522 PolarHBondContact OE1-NH2 2.74Å; E421-R522 WeakPolarHBondContact OE2-CD 3.47Å; E421-R522 IonicContact OE2-CZ 3.67Å; E421-R522 IonicContact OE2-NE 3Å; E421-R522 PolarHBondContact OE2-NE 2.69Å; E421-R522 IonicContact OE2-NH2 2.89Å; E421-R522 PolarHBondContact OE2-NH2 3.19Å; E421-N552 PolarHBondContact OE2-ND2 2.76Å; E421-R883 PolarHBondContact O-NH2 3.36Å
422	P	83.9	Confident	84	Confident	23 Å²	23	38.8 Å²	38.8	15%	0.149	19%	0.188	C	C	.	.			trans	-74.4	141.5	178.7	31.5	-34.3	0	0	0	111.7	M424 I425 F551 V730	P422-M424 VanDerWaalsContact C-N 3.34Å; P422-I425 HydrophobicContact CG-CG2 4.41Å; P422-F551 HydrophobicContact CG-CE1 4.04Å; P422-F551 HydrophobicContact CG-CZ 4.21Å; P422-V730 WeakPolarHBondContact O-CG2 3.3Å
423	D	82.8	Confident	84.7	Confident	13 Å²	13	39.1 Å²	39.1	7%	0.07	19%	0.19	C	C	.	.	S	Bend	trans	-89.9	-0.7	169.4	-58.9	-38.5	0	0	0	112.4	G729 V730 R883 L886	D423-G729 WeakPolarHBondContact O-CA 3.26Å; D423-V730 CarbonylContact C-O 3.54Å; D423-V730 WeakPolarHBondContact CA-O 3.49Å; D423-V730 PolarHBondContact O-N 3.18Å; D423-R883 IonicContact OD1-CZ 3.37Å; D423-R883 IonicContact OD1-NE 2.75Å; D423-R883 IonicContact OD1-NH2 2.68Å; D423-R883 PolarHBondContact OD1-NH2 3.32Å; D423-R883 IonicContact OD2-CZ 3.54Å; D423-R883 IonicContact OD2-NE 2.66Å; D423-R883 PolarHBondContact OD2-NE 2.95Å; D423-R883 IonicContact OD2-NH2 3.84Å; D423-R883 PolarHBondContact OD2-NH2 3.44Å; D423-L886 HydrophobicContact CB-CD1 4.22Å
424	M	86.6	Confident	85.7	Confident	13 Å²	13	37.9 Å²	37.9	6%	0.064	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	140.1	-169.8	174.6	-170.7	-74.6	0	0	110.6	P422 E727 V728 Y887	P422-M424 VanDerWaalsContact C-N 3.34Å; M424-E727 HydrophobicContact CE-CG 3.85Å; M424-E727 WeakPolarHBondContact CE-OE1 3.48Å; M424-E727 HydrophobicContact CG-CG 3.75Å; M424-E727 VanDerWaalsContact SD-CD 3.54Å; M424-E727 HydrophobicContact SD-CG 3.54Å; M424-E727 VanDerWaalsContact SD-CG 3.54Å; M424-V728 CarbonylContact C-O 3.52Å; M424-V728 VanDerWaalsContact CA-O 3.31Å; M424-V728 WeakPolarHBondContact CA-O 3.41Å; M424-Y887 HydrophobicContact CE-CD1 4.35Å; M424-Y887 HydrophobicContact CE-CG 4.48Å
425	I	92.1	Very high	86.8	Confident	4 Å²	4	36 Å²	36	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	162.2	171.9	60.5	172.3	0	0	0	112	P422 V427 D466 I467 F551 F556 V728 V730	P422-I425 HydrophobicContact CG-CG2 4.41Å; I425-V427 HydrophobicContact CD1-CG2 4.04Å; I425-V427 HydrophobicContact CG1-CG2 4.24Å; I425-D466 WeakPolarHBondContact CA-OD2 2.87Å; I425-D466 HydrophobicContact CB-CB 4.04Å; I425-D466 HydrophobicContact CG2-CB 4.29Å; I425-I467 HydrophobicContact CD1-CD1 3.64Å; I425-I467 HydrophobicContact CD1-CG1 4.33Å; I425-F551 HydrophobicContact CD1-CD2 4.02Å; I425-F551 HydrophobicContact CD1-CE2 4.18Å; I425-F551 HydrophobicContact CD1-CG 4.24Å; I425-F551 HydrophobicContact CG2-CE1 4.02Å; I425-F551 HydrophobicContact CG2-CE2 4.11Å; I425-F551 HydrophobicContact CG2-CZ 3.66Å; I425-F556 HydrophobicContact CD1-CE2 4.35Å; I425-F556 HydrophobicContact CD1-CZ 3.91Å; I425-V728 HydrophobicContact CG1-CB 4.43Å; I425-V728 PolarHBondContact N-O 3.42Å; I425-V728 PolarHBondContact O-N 3.12Å; I425-V730 HydrophobicContact CD1-CG1 3.89Å; I425-V730 HydrophobicContact CG1-CG1 3.81Å; I425-V730 HydrophobicContact CG1-CG2 4.48Å; I425-V730 HydrophobicContact CG2-CG2 4.03Å
426	S	94.8	Very high	87.6	Confident	27 Å²	27	33.3 Å²	33.3	19%	0.189	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.7	171.7	-169	0	0	0	0	111.4	H465 D466 I467 F726	S426-H465 PolarHBondContact OG-ND1 3.43Å; S426-D466 PolarHBondContact N-OD2 3.4Å; S426-D466 PolarHBondContact O-N 2.67Å; S426-I467 PolarHBondContact O-N 2.93Å; S426-F726 CarbonylContact C-O 3.51Å; S426-F726 VanDerWaalsContact CA-O 3.3Å; S426-F726 WeakPolarHBondContact CA-O 3.34Å
427	V	98.5	Very high	88.4	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	121.8	-177.9	-175.9	0	0	0	0	109.6	I425 I429 I467 F556 F558 T725 F726 V728	I425-V427 HydrophobicContact CD1-CG2 4.04Å; I425-V427 HydrophobicContact CG1-CG2 4.24Å; V427-I429 HydrophobicContact CG1-CG1 4.25Å; V427-I467 WeakPolarHBondContact CA-O 3.39Å; V427-I467 HydrophobicContact CG1-CB 4.32Å; V427-I467 HydrophobicContact CG1-CG2 4.45Å; V427-I467 HydrophobicContact CG2-CB 4.36Å; V427-I467 HydrophobicContact CG2-CD1 4.34Å; V427-F556 HydrophobicContact CG2-CE1 4.32Å; V427-F558 HydrophobicContact CG1-CE1 3.98Å; V427-F558 HydrophobicContact CG1-CZ 4.09Å; V427-T725 WeakPolarHBondContact O-CA 3.31Å; V427-F726 PolarHBondContact N-O 3.38Å; V427-F726 PolarHBondContact O-N 3.38Å; V427-V728 HydrophobicContact CG2-CG2 4.08Å
428	F	98.8	Very high	89.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	138.3	168.7	174.3	-82.6	0	0	0	110.6	G430 W446 H465 I467 Y468 V469 F470 F723 T725	F428-G430 VanDerWaalsContact CE1-N 3.28Å; F428-W446 WeakPolarHBondContact CE2-O 3.48Å; F428-W446 VanDerWaalsContact CZ-O 3.28Å; F428-W446 WeakPolarHBondContact CZ-O 3.44Å; F428-H465 HydrophobicContact CB-CB 4.19Å; F428-I467 PolarHBondContact N-O 3Å; F428-Y468 HydrophobicContact CB-CD1 3.59Å; F428-Y468 HydrophobicContact CB-CE1 3.91Å; F428-Y468 HydrophobicContact CB-CG 4.09Å; F428-Y468 AromaticContact CD1-CD1 3.49Å; F428-Y468 HydrophobicContact CD1-CD1 3.49Å; F428-Y468 VanDerWaalsContact CD1-CD1 3.49Å; F428-Y468 HydrophobicContact CD1-CE1 4.19Å; F428-Y468 HydrophobicContact CD1-CG 4.34Å; F428-Y468 HydrophobicContact CD2-CD1 4.29Å; F428-Y468 HydrophobicContact CD2-CE1 4.18Å; F428-Y468 HydrophobicContact CE1-CD1 4.26Å; F428-Y468 AromaticContact CG-CD1 3.52Å; F428-Y468 HydrophobicContact CG-CD1 3.52Å; F428-Y468 AromaticContact CG-CE1 3.83Å; F428-Y468 HydrophobicContact CG-CE1 3.83Å; F428-Y468 HydrophobicContact CG-CG 4.42Å; F428-V469 PolarHBondContact O-N 3.11Å; F428-F470 HydrophobicContact CD1-CE1 4.11Å; F428-F470 HydrophobicContact CD1-CZ 4.45Å; F428-F470 AromaticContact CE1-CD1 3.96Å; F428-F470 HydrophobicContact CE1-CD1 3.96Å; F428-F470 AromaticContact CE1-CE1 3.52Å; F428-F470 HydrophobicContact CE1-CE1 3.52Å; F428-F470 HydrophobicContact CE1-CZ 4.27Å; F428-F470 HydrophobicContact CZ-CE1 4.35Å; F428-F723 HydrophobicContact CE2-CB 3.92Å; F428-F723 HydrophobicContact CZ-CB 4.13Å; F428-T725 HydrophobicContact CB-CG2 4.4Å; F428-T725 HydrophobicContact CD2-CG2 3.76Å
429	I	98.9	Very high	91	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	121.4	171.5	-55	-173.7	0	0	0	108.8	V427 V469 F558 F604 F606 I693 F723 G724 F726	V427-I429 HydrophobicContact CG1-CG1 4.25Å; I429-V469 CarbonylContact C-O 3.5Å; I429-V469 WeakPolarHBondContact CA-O 3.45Å; I429-V469 HydrophobicContact CG1-CB 4.39Å; I429-F558 HydrophobicContact CD1-CD1 4.13Å; I429-F558 HydrophobicContact CD1-CE1 4Å; I429-F558 HydrophobicContact CG1-CE1 4.45Å; I429-F604 HydrophobicContact CD1-CB 3.46Å; I429-F604 VanDerWaalsContact CD1-CB 3.46Å; I429-F604 HydrophobicContact CD1-CD1 3.29Å; I429-F604 HydrophobicContact CD1-CD2 4.04Å; I429-F604 HydrophobicContact CD1-CE1 3.98Å; I429-F604 HydrophobicContact CD1-CG 3.32Å; I429-F606 HydrophobicContact CG2-CB 4.26Å; I429-F606 HydrophobicContact CG2-CD1 3.59Å; I429-F606 HydrophobicContact CG2-CD2 3.91Å; I429-F606 HydrophobicContact CG2-CE1 3.86Å; I429-F606 HydrophobicContact CG2-CE2 4.12Å; I429-F606 HydrophobicContact CG2-CG 3.65Å; I429-F606 HydrophobicContact CG2-CZ 4.12Å; I429-I693 HydrophobicContact CB-CD1 4.31Å; I429-I693 HydrophobicContact CB-CG2 4.43Å; I429-I693 HydrophobicContact CD1-CG2 4.49Å; I429-I693 HydrophobicContact CG2-CD1 4.08Å; I429-I693 HydrophobicContact CG2-CG1 4.38Å; I429-I693 HydrophobicContact CG2-CG2 4.14Å; I429-I693 WeakPolarHBondContact O-CD1 3.44Å; I429-F723 CarbonylContact O-C 3.54Å; I429-F723 WeakPolarHBondContact O-CA 3.4Å; I429-G724 PolarHBondContact N-O 2.85Å; I429-G724 PolarHBondContact O-N 3.35Å; I429-F726 HydrophobicContact CD1-CD2 4.16Å; I429-F726 HydrophobicContact CD1-CE2 3.93Å; I429-F726 HydrophobicContact CG1-CD2 4.36Å; I429-F726 HydrophobicContact CG1-CE2 4.28Å
430	G	98.8	Very high	92.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	140.6	169.4	0	0	0	0	0	110.9	F428 V469 G471 V722	F428-G430 VanDerWaalsContact CE1-N 3.28Å; G430-V469 PolarHBondContact N-O 2.91Å; G430-G471 WeakPolarHBondContact O-CA 3.39Å; G430-G471 PolarHBondContact O-N 2.97Å; G430-V722 WeakPolarHBondContact CA-O 3.28Å
431	T	98.9	Very high	93.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.5	161.4	-177.6	0	0	0	0	110.5	G471 Q473 G607 D691 I693 V722	T431-G471 WeakPolarHBondContact CA-O 3.44Å; T431-Q473 PolarHBondContact OG1-NE2 3.41Å; T431-G607 VanDerWaalsContact OG1-CA 3.23Å; T431-G607 WeakPolarHBondContact OG1-CA 3.47Å; T431-D691 HydrophobicContact CG2-CB 4.34Å; T431-I693 HydrophobicContact CG2-CG1 4.05Å; T431-V722 HydrophobicContact CG2-CB 3.83Å; T431-V722 HydrophobicContact CG2-CG1 4.17Å; T431-V722 PolarHBondContact N-O 3.35Å; T431-V722 PolarHBondContact O-N 2.83Å
432	W	98.9	Very high	94.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	119.4	176.4	-178	31.1	0	0	0	113.2	M434 P439 W446 G471 T472 Q473 I714 H719 P721	W432-M434 HydrophobicContact CD2-CG 3.67Å; W432-M434 HydrophobicContact CE3-CG 3.59Å; W432-M434 HydrophobicContact CE3-SD 4.28Å; W432-M434 HydrophobicContact CG-CG 4.25Å; W432-M434 HydrophobicContact CH2-CG 4.29Å; W432-M434 HydrophobicContact CZ2-CG 4.36Å; W432-M434 HydrophobicContact CZ3-CE 4.48Å; W432-M434 HydrophobicContact CZ3-CG 3.92Å; W432-M434 HydrophobicContact CZ3-SD 4.45Å; W432-M434 PolarHBondContact O-N 3.04Å; W432-P439 HydrophobicContact CH2-CB 4.06Å; W432-P439 HydrophobicContact CZ3-CB 3.92Å; W432-W446 HydrophobicContact CB-CH2 3.99Å; W432-W446 HydrophobicContact CB-CZ2 3.77Å; W432-W446 HydrophobicContact CE3-CZ3 4.26Å; W432-G471 PolarHBondContact N-O 2.96Å; W432-G471 VanDerWaalsContact N-O 3.09Å; W432-T472 VanDerWaalsContact O-CA 3.26Å; W432-T472 WeakPolarHBondContact O-CA 3.48Å; W432-Q473 PolarHBondContact O-N 2.67Å; W432-Q473 PolarHBondContact O-OE1 3.09Å; W432-I714 HydrophobicContact CH2-CG2 3.66Å; W432-I714 HydrophobicContact CZ2-CG2 3.54Å; W432-I714 HydrophobicContact CZ3-CG2 4.37Å; W432-H719 PolarHBondContact NE1-O 3.05Å; W432-P721 HydrophobicContact CB-CB 4.06Å; W432-P721 HydrophobicContact CB-CG 4.37Å; W432-P721 HydrophobicContact CD2-CB 4.3Å; W432-P721 HydrophobicContact CD2-CG 3.66Å; W432-P721 HydrophobicContact CE3-CG 4.22Å; W432-P721 HydrophobicContact CG-CB 3.91Å; W432-P721 HydrophobicContact CG-CG 3.7Å; W432-P721 HydrophobicContact CZ2-CG 4.36Å
433	N	98.8	Very high	94.9	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.032	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	109	165	-176.1	-30.1	0	0	0	109.2	G435 Q473 E474 D608 S717 H719	N433-G435 VanDerWaalsContact C-N 3.27Å; N433-G435 PolarHBondContact O-N 2.92Å; N433-G435 PolarHBondContact OD1-N 2.94Å; N433-Q473 CarbonylContact C-O 3.49Å; N433-Q473 WeakPolarHBondContact CA-O 3.28Å; N433-Q473 HydrophobicContact CB-CB 4.31Å; N433-E474 WeakPolarHBondContact OD1-CB 3.38Å; N433-E474 WeakPolarHBondContact OD1-CG 3.44Å; N433-D608 HydrophobicContact CB-CB 4.36Å; N433-D608 PolarHBondContact ND2-OD2 3.07Å; N433-S717 WeakPolarHBondContact O-CB 3.42Å; N433-S717 PolarHBondContact O-OG 2.79Å; N433-H719 HydrophobicContact CB-CB 4.12Å; N433-H719 PolarHBondContact ND2-NE2 3.05Å
434	M	98.6	Very high	95.4	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.193	C	C	.	.			trans	-80	-3.7	-175.1	-68.4	172.8	62.9	0	0	113.6	W432 S436 V437 P439 T472 Q473 N475 V477 W482	W432-M434 HydrophobicContact CD2-CG 3.67Å; W432-M434 HydrophobicContact CE3-CG 3.59Å; W432-M434 HydrophobicContact CE3-SD 4.28Å; W432-M434 HydrophobicContact CG-CG 4.25Å; W432-M434 HydrophobicContact CH2-CG 4.29Å; W432-M434 HydrophobicContact CZ2-CG 4.36Å; W432-M434 HydrophobicContact CZ3-CE 4.48Å; W432-M434 HydrophobicContact CZ3-CG 3.92Å; W432-M434 HydrophobicContact CZ3-SD 4.45Å; W432-M434 PolarHBondContact O-N 3.04Å; M434-S436 VanDerWaalsContact C-N 3.26Å; M434-S436 PolarHBondContact O-N 3.07Å; M434-V437 VanDerWaalsContact O-CG2 3.26Å; M434-V437 WeakPolarHBondContact O-CG2 3.49Å; M434-V437 PolarHBondContact O-N 3.43Å; M434-P439 HydrophobicContact CE-CB 4.24Å; M434-P439 HydrophobicContact CE-CG 4.26Å; M434-T472 HydrophobicContact CG-CG2 4.4Å; M434-T472 HydrophobicContact SD-CG2 3.71Å; M434-Q473 PolarHBondContact N-O 3.26Å; M434-N475 HydrophobicContact SD-CB 3.65Å; M434-V477 HydrophobicContact CE-CG2 3.94Å; M434-W482 HydrophobicContact CE-CZ3 4.28Å; M434-W482 HydrophobicContact SD-CH2 4.39Å; M434-W482 HydrophobicContact SD-CZ3 4.43Å
435	G	96.7	Very high	95.7	Very high	12 Å²	12	33.9 Å²	33.9	12%	0.124	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	28.5	173.2	0	0	0	0	0	114.9	N433 V437 R666 S717	N433-G435 VanDerWaalsContact C-N 3.27Å; N433-G435 PolarHBondContact O-N 2.92Å; N433-G435 PolarHBondContact OD1-N 2.94Å; G435-V437 VanDerWaalsContact C-N 3.28Å; G435-V437 PolarHBondContact O-N 3.24Å; G435-R666 PolarHBondContact O-NH1 3.04Å; G435-R666 PolarHBondContact O-NH2 2.91Å; G435-S717 PolarHBondContact N-OG 2.7Å
436	S	96.1	Very high	96	Very high	63 Å²	63	33.7 Å²	33.7	44%	0.441	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	31.7	-177.1	-55.9	0	0	0	0	114.8	M434 E474	M434-S436 VanDerWaalsContact C-N 3.26Å; M434-S436 PolarHBondContact O-N 3.07Å; S436-E474 WeakPolarHBondContact CA-O 3.29Å; S436-E474 PolarHBondContact N-O 2.79Å
437	V	94.9	Very high	96	Very high	42 Å²	42	32.5 Å²	32.5	26%	0.255	18%	0.184	S	C	.	.	S	Bend	trans	-127.4	155.3	171	-72.3	0	0	0	0	112	M434 G435 R666 T716	M434-V437 VanDerWaalsContact O-CG2 3.26Å; M434-V437 WeakPolarHBondContact O-CG2 3.49Å; M434-V437 PolarHBondContact O-N 3.43Å; G435-V437 VanDerWaalsContact C-N 3.28Å; G435-V437 PolarHBondContact O-N 3.24Å; V437-R666 VanDerWaalsContact CG1-NH1 3.28Å; V437-T716 WeakPolarHBondContact CG2-O 3.45Å
438	P	93.9	Very high	95.8	Very high	87 Å²	87	32.8 Å²	32.8	57%	0.565	19%	0.186	S	C	*	.	P	Polyproline II helix	trans	-58.2	152.9	174	-25.1	35.4	0	0	0	113.3
439	P	96	Very high	95.7	Very high	26 Å²	26	32.8 Å²	32.8	17%	0.169	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-70.2	158.6	172.8	33	-36.5	0	0	0	111.2	W432 M434 W482 L485	W432-P439 HydrophobicContact CH2-CB 4.06Å; W432-P439 HydrophobicContact CZ3-CB 3.92Å; M434-P439 HydrophobicContact CE-CB 4.24Å; M434-P439 HydrophobicContact CE-CG 4.26Å; P439-W482 HydrophobicContact CB-CZ3 4.42Å; P439-W482 HydrophobicContact CG-CZ3 4.16Å; P439-L485 HydrophobicContact CG-CD1 4.2Å
440	P	94.9	Very high	95.5	Very high	42 Å²	42	37.1 Å²	37.1	27%	0.273	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-66.5	158.8	164.8	31.9	-33.9	0	0	0	110.2	N442 V443 I714 T716	P440-N442 WeakPolarHBondContact CG-O 3.34Å; P440-N442 PolarHBondContact O-N 2.91Å; P440-V443 HydrophobicContact CG-CG1 3.88Å; P440-I714 HydrophobicContact CG-CG1 4.41Å; P440-I714 HydrophobicContact CG-CG2 4.08Å; P440-T716 HydrophobicContact CB-CG2 4.16Å; P440-T716 HydrophobicContact CG-CG2 4.31Å
441	K	89.2	Confident	95.3	Very high	224 Å²	224	38.5 Å²	38.5	97%	0.974	22%	0.218	S	C	*	.	S	Bend	trans	-60.9	-27.2	178.5	-68.6	-172.8	177.5	-176.3	0	113.8
442	N	90.3	Very high	95.1	Very high	99 Å²	99	40.4 Å²	40.4	53%	0.529	23%	0.228	S	C	.	.			trans	-116	121.6	179	-178.4	-9.1	0	0	0	108.9	P440 T444	P440-N442 WeakPolarHBondContact CG-O 3.34Å; P440-N442 PolarHBondContact O-N 2.91Å; N442-T444 VanDerWaalsContact OD1-CB 3.3Å; N442-T444 WeakPolarHBondContact OD1-CB 3.47Å; N442-T444 PolarHBondContact OD1-N 2.79Å; N442-T444 PolarHBondContact OD1-OG1 2.85Å
443	V	94.1	Very high	95	Very high	19 Å²	19	41.7 Å²	41.7	12%	0.115	24%	0.242	C	C	.	.			trans	-127.1	21.8	172.6	-64.9	0	0	0	0	111.7	P440 S445 W446 F447 I714	P440-V443 HydrophobicContact CG-CG1 3.88Å; V443-S445 VanDerWaalsContact C-N 3.26Å; V443-S445 PolarHBondContact O-N 2.9Å; V443-W446 WeakPolarHBondContact O-CB 3.39Å; V443-W446 PolarHBondContact O-N 2.84Å; V443-W446 VanDerWaalsContact O-N 3.11Å; V443-F447 HydrophobicContact CG2-CD1 4.33Å; V443-F447 HydrophobicContact CG2-CE1 3.67Å; V443-F447 HydrophobicContact CG2-CE2 4.15Å; V443-F447 HydrophobicContact CG2-CZ 3.56Å; V443-F447 PolarHBondContact O-N 3.48Å; V443-I714 HydrophobicContact CB-CD1 3.9Å; V443-I714 HydrophobicContact CG1-CD1 3.98Å; V443-I714 HydrophobicContact CG1-CG1 4.46Å
444	T	92.8	Very high	94.8	Very high	50 Å²	50	45.1 Å²	45.1	31%	0.307	26%	0.257	S	S	.	.	H	α-helix	trans	-62	-30.6	-173.5	-57.8	0	0	0	0	112.9	N442 W446 F447 T448 L493	N442-T444 VanDerWaalsContact OD1-CB 3.3Å; N442-T444 WeakPolarHBondContact OD1-CB 3.47Å; N442-T444 PolarHBondContact OD1-N 2.79Å; N442-T444 PolarHBondContact OD1-OG1 2.85Å; T444-W446 VanDerWaalsContact C-N 3.3Å; T444-W446 PolarHBondContact O-N 2.86Å; T444-F447 PolarHBondContact O-N 3.08Å; T444-T448 HydrophobicContact CG2-CG2 3.97Å; T444-T448 WeakPolarHBondContact O-CB 3.48Å; T444-T448 WeakPolarHBondContact O-CG2 3.39Å; T444-T448 PolarHBondContact O-N 2.75Å; T444-T448 PolarHBondContact O-OG1 3.15Å; T444-L493 HydrophobicContact CG2-CD1 4.02Å
445	S	94.5	Very high	94.4	Very high	10 Å²	10	45.6 Å²	45.6	7%	0.07	26%	0.261	C	S	.	.	H	α-helix	trans	-56.1	-43.8	173.7	52.8	0	0	0	0	112.2	V443 T448 S449 K450 D713 I714	V443-S445 VanDerWaalsContact C-N 3.26Å; V443-S445 PolarHBondContact O-N 2.9Å; S445-T448 CarbonylContact O-C 3.53Å; S445-T448 PolarHBondContact O-N 3.36Å; S445-T448 PolarHBondContact O-OG1 2.97Å; S445-S449 PolarHBondContact O-N 2.82Å; S445-S449 VanDerWaalsContact O-N 3.07Å; S445-K450 PolarHBondContact O-N 2.69Å; S445-D713 WeakPolarHBondContact CB-OD1 3.32Å; S445-D713 VanDerWaalsContact CB-OD2 3.25Å; S445-D713 WeakPolarHBondContact CB-OD2 3.33Å; S445-D713 PolarHBondContact OG-OD1 2.88Å; S445-D713 PolarHBondContact OG-OD2 2.95Å; S445-D713 VanDerWaalsContact OG-OD2 3.07Å; S445-I714 WeakPolarHBondContact OG-CD1 3.29Å
446	W	97.7	Very high	93.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.3	-51.7	177.2	-171.4	36.7	0	0	0	110.9	F428 W432 V443 T444 T448 S449 F470 T472 W482 T711 I714 P721 V722	F428-W446 WeakPolarHBondContact CE2-O 3.48Å; F428-W446 VanDerWaalsContact CZ-O 3.28Å; F428-W446 WeakPolarHBondContact CZ-O 3.44Å; W432-W446 HydrophobicContact CB-CH2 3.99Å; W432-W446 HydrophobicContact CB-CZ2 3.77Å; W432-W446 HydrophobicContact CE3-CZ3 4.26Å; V443-W446 WeakPolarHBondContact O-CB 3.39Å; V443-W446 PolarHBondContact O-N 2.84Å; V443-W446 VanDerWaalsContact O-N 3.11Å; T444-W446 VanDerWaalsContact C-N 3.3Å; T444-W446 PolarHBondContact O-N 2.86Å; W446-T448 PolarHBondContact O-N 2.87Å; W446-T448 VanDerWaalsContact O-N 3.17Å; W446-S449 PolarHBondContact O-N 3.31Å; W446-S449 VanDerWaalsContact O-N 3.16Å; W446-F470 HydrophobicContact CE3-CD1 4.44Å; W446-F470 AromaticContact CH2-CD1 3.94Å; W446-F470 HydrophobicContact CH2-CD1 3.94Å; W446-F470 HydrophobicContact CZ2-CD1 4.43Å; W446-F470 AromaticContact CZ3-CD1 3.94Å; W446-F470 HydrophobicContact CZ3-CD1 3.94Å; W446-F470 HydrophobicContact CZ3-CE1 4.47Å; W446-T472 HydrophobicContact CH2-CG2 4.21Å; W446-W482 HydrophobicContact CH2-CZ2 4.47Å; W446-W482 HydrophobicContact CZ3-CH2 4.05Å; W446-W482 HydrophobicContact CZ3-CZ2 4.23Å; W446-T711 HydrophobicContact CB-CG2 3.86Å; W446-I714 HydrophobicContact CB-CD1 3.89Å; W446-P721 HydrophobicContact CB-CB 4.35Å; W446-P721 HydrophobicContact CD2-CB 3.97Å; W446-P721 HydrophobicContact CG-CB 3.74Å; W446-V722 PolarHBondContact NE1-O 3.22Å
447	F	95.1	Very high	93	Very high	3 Å²	3	43.2 Å²	43.2	1%	0.013	24%	0.24	C	C	.	.	H	α-helix	trans	-65.8	-17.9	-178.5	-63.9	3.9	0	0	0	113.8	V443 T444 F470 L486 L490 L493	V443-F447 HydrophobicContact CG2-CD1 4.33Å; V443-F447 HydrophobicContact CG2-CE1 3.67Å; V443-F447 HydrophobicContact CG2-CE2 4.15Å; V443-F447 HydrophobicContact CG2-CZ 3.56Å; V443-F447 PolarHBondContact O-N 3.48Å; T444-F447 PolarHBondContact O-N 3.08Å; F447-F470 AromaticContact CD1-CE1 3.47Å; F447-F470 HydrophobicContact CD1-CE1 3.47Å; F447-F470 VanDerWaalsContact CD1-CE1 3.47Å; F447-F470 AromaticContact CD1-CZ 3.91Å; F447-F470 HydrophobicContact CD1-CZ 3.91Å; F447-F470 HydrophobicContact CE1-CD1 4.13Å; F447-F470 AromaticContact CE1-CE1 3.33Å; F447-F470 HydrophobicContact CE1-CE1 3.33Å; F447-F470 AromaticContact CE1-CZ 3.75Å; F447-F470 HydrophobicContact CE1-CZ 3.75Å; F447-F470 HydrophobicContact CG-CE1 4.35Å; F447-F470 HydrophobicContact CG-CZ 4.4Å; F447-F470 HydrophobicContact CZ-CE1 4.12Å; F447-F470 HydrophobicContact CZ-CZ 4.11Å; F447-L486 HydrophobicContact CE1-CD2 4.01Å; F447-L486 HydrophobicContact CZ-CD2 3.69Å; F447-L490 HydrophobicContact CD2-CD2 3.88Å; F447-L490 HydrophobicContact CD2-CG 4.29Å; F447-L490 HydrophobicContact CE2-CD2 4.32Å; F447-L490 HydrophobicContact CE2-CG 4.24Å; F447-L490 HydrophobicContact CG-CD2 4.46Å; F447-L493 HydrophobicContact CB-CD2 3.92Å
448	T	94.1	Very high	92	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.031	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	8	179.8	58.6	0	0	0	0	113.3	T444 S445 W446 K450 V461 L493	T444-T448 HydrophobicContact CG2-CG2 3.97Å; T444-T448 WeakPolarHBondContact O-CB 3.48Å; T444-T448 WeakPolarHBondContact O-CG2 3.39Å; T444-T448 PolarHBondContact O-N 2.75Å; T444-T448 PolarHBondContact O-OG1 3.15Å; S445-T448 CarbonylContact O-C 3.53Å; S445-T448 PolarHBondContact O-N 3.36Å; S445-T448 PolarHBondContact O-OG1 2.97Å; W446-T448 PolarHBondContact O-N 2.87Å; W446-T448 VanDerWaalsContact O-N 3.17Å; T448-K450 VanDerWaalsContact C-N 3.32Å; T448-K450 PolarHBondContact O-N 2.93Å; T448-V461 HydrophobicContact CG2-CG1 3.95Å; T448-L493 HydrophobicContact CG2-CD1 3.63Å; T448-L493 HydrophobicContact CG2-CD2 3.68Å; T448-L493 HydrophobicContact CG2-CG 4.31Å
449	S	96.3	Very high	90.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	47.4	-179.6	-63.6	0	0	0	0	113.6	S445 W446 A455 L456 S707 F723 T725	S445-S449 PolarHBondContact O-N 2.82Å; S445-S449 VanDerWaalsContact O-N 3.07Å; W446-S449 PolarHBondContact O-N 3.31Å; W446-S449 VanDerWaalsContact O-N 3.16Å; S449-A455 CarbonylContact O-C 3.59Å; S449-A455 VanDerWaalsContact O-CA 3.32Å; S449-A455 WeakPolarHBondContact O-CA 3.36Å; S449-A455 VanDerWaalsContact O-CB 3.23Å; S449-A455 WeakPolarHBondContact O-CB 3.47Å; S449-L456 PolarHBondContact O-N 3.17Å; S449-S707 WeakPolarHBondContact CB-OG 3.43Å; S449-S707 PolarHBondContact OG-OG 3.32Å; S449-F723 VanDerWaalsContact C-CZ 3.49Å; S449-F723 VanDerWaalsContact OG-CD2 3.29Å; S449-F723 WeakPolarHBondContact OG-CD2 3.29Å; S449-T725 WeakPolarHBondContact OG-CG2 3.14Å
450	K	94.3	Very high	89.8	Confident	92 Å²	92	44.4 Å²	44.4	40%	0.4	23%	0.234	S	C	.	.			trans	-103.4	146.6	174.7	-70.4	-175	176.4	-176	0	111.7	S445 T448 V461 F723	S445-K450 PolarHBondContact O-N 2.69Å; T448-K450 VanDerWaalsContact C-N 3.32Å; T448-K450 PolarHBondContact O-N 2.93Å; K450-V461 HydrophobicContact CD-CG2 4.44Å; K450-V461 VanDerWaalsContact CE-CG2 3.45Å; K450-V461 HydrophobicContact CG-CG2 4.16Å; K450-F723 VanDerWaalsContact O-CE1 3.28Å; K450-F723 WeakPolarHBondContact O-CE1 3.4Å
451	G	94.6	Very high	88.9	Confident	28 Å²	28	43.4 Å²	43.4	29%	0.289	23%	0.227	S	C	.	.	S	Bend	trans	130.9	-138.6	-177.4	0	0	0	0	0	110.3	C710 D712	G451-C710 CarbonylContact C-O 3.47Å; G451-C710 WeakPolarHBondContact CA-O 3.27Å; G451-D712 WeakPolarHBondContact CA-OD1 3.43Å
452	L	96.2	Very high	88	Confident	40 Å²	40	36 Å²	36	21%	0.209	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	155	-172.7	-54.7	179.1	0	0	0	112.2	F658 P659 G709 C710 D712	L452-F658 HydrophobicContact CB-CB 4.14Å; L452-P659 HydrophobicContact CD1-CG 3.51Å; L452-G709 CarbonylContact O-C 3.59Å; L452-G709 WeakPolarHBondContact O-CA 3.36Å; L452-C710 PolarHBondContact N-O 2.87Å; L452-C710 PolarHBondContact O-N 2.78Å; L452-D712 HydrophobicContact CD1-CB 4.36Å; L452-D712 HydrophobicContact CG-CB 4.3Å
453	G	95.9	Very high	87.6	Confident	28 Å²	28	32.7 Å²	32.7	29%	0.289	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	87.6	-151.7	-176.9	0	0	0	0	0	113.7	A455 S657	G453-A455 PolarHBondContact O-N 2.85Å; G453-S657 WeakPolarHBondContact CA-O 3.43Å; G453-S657 WeakPolarHBondContact CA-OG 3.48Å
454	K	93.8	Very high	87.4	Confident	78 Å²	78	33.3 Å²	33.3	34%	0.339	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	69.5	177.5	-172.7	-177	169.2	177.4	0	109.5	E654 S657 C705 N706 S707 Y708	K454-E654 HydrophobicContact CD-CG 4.14Å; K454-E654 IonicContact NZ-OE2 3.6Å; K454-E654 PolarHBondContact NZ-OE2 3.14Å; K454-S657 PolarHBondContact N-OG 3.21Å; K454-C705 PolarHBondContact NZ-O 2.95Å; K454-N706 WeakPolarHBondContact CE-O 3.5Å; K454-S707 CarbonylContact O-C 3.58Å; K454-S707 WeakPolarHBondContact O-CA 3.43Å; K454-S707 WeakPolarHBondContact O-CB 3.47Å; K454-Y708 WeakPolarHBondContact CA-O 2.92Å; K454-Y708 WeakPolarHBondContact CB-O 3.49Å; K454-Y708 PolarHBondContact N-O 2.93Å; K454-Y708 PolarHBondContact O-N 2.79Å
455	A	90.9	Very high	87.5	Confident	10 Å²	10	31.5 Å²	31.5	8%	0.083	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-81	155	178.1	0	0	0	0	0	112.5	R400 S449 G453 F723	R400-A455 PolarHBondContact NE-O 2.88Å; R400-A455 VanDerWaalsContact NE-O 3.14Å; R400-A455 VanDerWaalsContact NH2-C 3.27Å; R400-A455 PolarHBondContact NH2-O 2.86Å; S449-A455 CarbonylContact O-C 3.59Å; S449-A455 VanDerWaalsContact O-CA 3.32Å; S449-A455 WeakPolarHBondContact O-CA 3.36Å; S449-A455 VanDerWaalsContact O-CB 3.23Å; S449-A455 WeakPolarHBondContact O-CB 3.47Å; G453-A455 PolarHBondContact O-N 2.85Å; A455-F723 HydrophobicContact CB-CE2 4.42Å; A455-F723 HydrophobicContact CB-CZ 4.13Å
456	L	84.8	Confident	87.5	Confident	13 Å²	13	32 Å²	32	7%	0.068	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-66.5	155.4	177.3	-73	-179.7	0	0	0	112.9	R400 S449 V461 T725	R400-L456 VanDerWaalsContact CZ-O 3.24Å; R400-L456 PolarHBondContact NH2-O 3.49Å; S449-L456 PolarHBondContact O-N 3.17Å; L456-V461 HydrophobicContact CB-CG2 4.19Å; L456-T725 HydrophobicContact CD1-CG2 4.5Å
457	D	78.6	Confident	87.6	Confident	12 Å²	12	32 Å²	32	6%	0.064	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-75.5	152.6	173.6	-160.8	-86.7	0	0	0	110.8	R400 A404 V459 T460 V461	R400-D457 WeakPolarHBondContact CD-OD2 3.2Å; R400-D457 HydrophobicContact CG-CB 4.1Å; A404-D457 HydrophobicContact CB-CB 3.94Å; D457-V459 PolarHBondContact O-N 2.82Å; D457-V459 VanDerWaalsContact O-N 3.08Å; D457-V459 PolarHBondContact OD1-N 3.5Å; D457-T460 WeakPolarHBondContact CA-OG1 3.49Å; D457-T460 WeakPolarHBondContact CB-OG1 3.25Å; D457-T460 PolarHBondContact N-OG1 2.91Å; D457-T460 PolarHBondContact O-N 3.47Å; D457-T460 PolarHBondContact O-OG1 2.93Å; D457-V461 VanDerWaalsContact O-CG2 3.28Å; D457-V461 WeakPolarHBondContact O-CG2 3.35Å; D457-V461 PolarHBondContact O-N 2.93Å
458	E	74.8	Confident	87.8	Confident	156 Å²	156	32.1 Å²	32.1	73%	0.729	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-30.2	-177.8	-62.4	-178.5	145.9	0	0	113.1
459	V	70.1	Confident	88	Confident	18 Å²	18	31.9 Å²	31.9	11%	0.109	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-50	175.4	-178.8	0	0	0	0	111.1	Q311 L408 D457 V461 T462	Q311-V459 HydrophobicContact CB-CG1 4.13Å; Q311-V459 VanDerWaalsContact CD-CG2 3.5Å; Q311-V459 HydrophobicContact CG-CB 4.41Å; Q311-V459 HydrophobicContact CG-CG1 3.72Å; Q311-V459 HydrophobicContact CG-CG2 3.74Å; L408-V459 HydrophobicContact CD1-CG1 3.58Å; L408-V459 HydrophobicContact CD2-CG1 4.3Å; L408-V459 HydrophobicContact CG-CG1 4.11Å; D457-V459 PolarHBondContact O-N 2.82Å; D457-V459 VanDerWaalsContact O-N 3.08Å; D457-V459 PolarHBondContact OD1-N 3.5Å; V459-V461 PolarHBondContact O-N 2.64Å; V459-T462 PolarHBondContact O-N 2.99Å; V459-T462 PolarHBondContact O-OG1 3.25Å
460	T	73.7	Confident	88.1	Confident	5 Å²	5	31.9 Å²	31.9	3%	0.031	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-68.4	-25.8	-174.8	46.7	0	0	0	0	112.9	A404 Q407 D457 T462 I463	A404-T460 HydrophobicContact CB-CG2 3.68Å; Q407-T460 HydrophobicContact CB-CG2 4.34Å; D457-T460 WeakPolarHBondContact CA-OG1 3.49Å; D457-T460 WeakPolarHBondContact CB-OG1 3.25Å; D457-T460 PolarHBondContact N-OG1 2.91Å; D457-T460 PolarHBondContact O-N 3.47Å; D457-T460 PolarHBondContact O-OG1 2.93Å; T460-T462 PolarHBondContact O-N 3.14Å; T460-T462 VanDerWaalsContact O-N 3.13Å; T460-I463 HydrophobicContact CG2-CD1 4.47Å; T460-I463 WeakPolarHBondContact O-CB 3.48Å; T460-I463 PolarHBondContact O-N 2.8Å
461	V	74.3	Confident	88.3	Confident	21 Å²	21	27.5 Å²	27.5	13%	0.127	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-52.6	-26.5	170.5	157.8	0	0	0	0	113.7	T448 K450 L456 D457 V459 I463	T448-V461 HydrophobicContact CG2-CG1 3.95Å; K450-V461 HydrophobicContact CD-CG2 4.44Å; K450-V461 VanDerWaalsContact CE-CG2 3.45Å; K450-V461 HydrophobicContact CG-CG2 4.16Å; L456-V461 HydrophobicContact CB-CG2 4.19Å; D457-V461 VanDerWaalsContact O-CG2 3.28Å; D457-V461 WeakPolarHBondContact O-CG2 3.35Å; D457-V461 PolarHBondContact O-N 2.93Å; V459-V461 PolarHBondContact O-N 2.64Å; V461-I463 VanDerWaalsContact C-N 3.3Å
462	T	70.7	Confident	88.5	Confident	70 Å²	70	26.1 Å²	26.1	43%	0.429	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-83.5	-3.6	179.4	72.2	0	0	0	0	113.6	V459 T460 P464	V459-T462 PolarHBondContact O-N 2.99Å; V459-T462 PolarHBondContact O-OG1 3.25Å; T460-T462 PolarHBondContact O-N 3.14Å; T460-T462 VanDerWaalsContact O-N 3.13Å; T462-P464 WeakPolarHBondContact O-CD 3.41Å
463	I	82	Confident	88.7	Confident	28 Å²	28	24.2 Å²	24.2	14%	0.144	13%	0.134	C	C	.	.	S	Bend	trans	-92.4	113.8	-177	-55.9	173	0	0	0	108.7	L408 L411 T460 V461 H465	L408-I463 HydrophobicContact CD2-CD1 4.11Å; L411-I463 HydrophobicContact CD2-CD1 4.07Å; L411-I463 HydrophobicContact CD2-CG1 4.01Å; L411-I463 HydrophobicContact CD2-CG2 3.82Å; T460-I463 HydrophobicContact CG2-CD1 4.47Å; T460-I463 WeakPolarHBondContact O-CB 3.48Å; T460-I463 PolarHBondContact O-N 2.8Å; V461-I463 VanDerWaalsContact C-N 3.3Å; I463-H465 PolarHBondContact O-N 2.89Å
464	P	89.8	Confident	88.7	Confident	33 Å²	33	24.3 Å²	24.3	21%	0.214	13%	0.126	C	C	.	.			trans	-69.8	126.8	178.2	27.2	-33.1	0	0	0	111	T462 T494 L496 Y498 K516	T462-P464 WeakPolarHBondContact O-CD 3.41Å; P464-T494 HydrophobicContact CB-CG2 3.82Å; P464-L496 HydrophobicContact CB-CD1 4.07Å; P464-L496 HydrophobicContact CG-CD1 4.08Å; P464-Y498 WeakPolarHBondContact CB-OH 3.41Å; P464-K516 WeakPolarHBondContact O-CE 3.34Å; P464-K516 PolarHBondContact O-NZ 3.47Å
465	H	94.8	Very high	88.9	Confident	12 Å²	12	20.6 Å²	20.6	6%	0.056	11%	0.11	C	C	.	.			trans	-66.8	148.4	174.8	-57.6	-66.9	0	0	0	111.2	S426 F428 I463 Y468 Y498 K516 T725	S426-H465 PolarHBondContact OG-ND1 3.43Å; F428-H465 HydrophobicContact CB-CB 4.19Å; I463-H465 PolarHBondContact O-N 2.89Å; H465-Y468 HydrophobicContact CB-CD2 4.17Å; H465-Y468 HydrophobicContact CB-CE1 4.49Å; H465-Y468 HydrophobicContact CB-CE2 3.68Å; H465-Y468 AromaticContact CD2-CE1 3.77Å; H465-Y468 AromaticContact CD2-CZ 3.59Å; H465-Y468 PolarHBondContact CD2-OH 3.41Å; H465-Y498 PolarHBondContact O-OH 2.6Å; H465-K516 WeakPolarHBondContact O-CE 3.47Å; H465-T725 WeakPolarHBondContact NE2-CG2 3.43Å
466	D	95.9	Very high	89.2	Confident	20 Å²	20	23 Å²	23	11%	0.107	13%	0.127	C	C	.	.	S	Bend	trans	-72.4	-38.5	-176.1	-57.5	-52.3	0	0	0	111.4	I425 S426 V515 K516	I425-D466 WeakPolarHBondContact CA-OD2 2.87Å; I425-D466 HydrophobicContact CB-CB 4.04Å; I425-D466 HydrophobicContact CG2-CB 4.29Å; S426-D466 PolarHBondContact N-OD2 3.4Å; S426-D466 PolarHBondContact O-N 2.67Å; D466-V515 WeakPolarHBondContact O-CA 3.48Å; D466-V515 WeakPolarHBondContact O-CG2 3.36Å; D466-K516 PolarHBondContact O-N 3.28Å; D466-K516 WeakPolarHBondContact OD1-CE 3.21Å; D466-K516 IonicContact OD1-NZ 2.67Å; D466-K516 PolarHBondContact OD1-NZ 3.2Å
467	I	98.6	Very high	89.8	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.8	176.5	-53.3	178.6	0	0	0	109	I425 S426 V427 F428 V469 V513 L514 V515 F549 F551	I425-I467 HydrophobicContact CD1-CD1 3.64Å; I425-I467 HydrophobicContact CD1-CG1 4.33Å; S426-I467 PolarHBondContact O-N 2.93Å; V427-I467 WeakPolarHBondContact CA-O 3.39Å; V427-I467 HydrophobicContact CG1-CB 4.32Å; V427-I467 HydrophobicContact CG1-CG2 4.45Å; V427-I467 HydrophobicContact CG2-CB 4.36Å; V427-I467 HydrophobicContact CG2-CD1 4.34Å; F428-I467 PolarHBondContact N-O 3Å; I467-V469 HydrophobicContact CG2-CG2 3.97Å; I467-V513 HydrophobicContact CG2-CG1 3.92Å; I467-L514 CarbonylContact C-O 3.57Å; I467-L514 WeakPolarHBondContact CA-O 3.21Å; I467-V515 HydrophobicContact CG1-CG2 4.16Å; I467-F549 HydrophobicContact CD1-CE2 3.99Å; I467-F549 HydrophobicContact CD1-CZ 3.95Å; I467-F549 HydrophobicContact CG2-CZ 4.47Å; I467-F551 HydrophobicContact CD1-CD2 4.1Å
468	Y	98.8	Very high	90.6	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.016	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.6	167.6	-75.8	-99.7	0	0	0	110.2	F428 H465 F470 L490 Y498 V513 L514	F428-Y468 HydrophobicContact CB-CD1 3.59Å; F428-Y468 HydrophobicContact CB-CE1 3.91Å; F428-Y468 HydrophobicContact CB-CG 4.09Å; F428-Y468 AromaticContact CD1-CD1 3.49Å; F428-Y468 HydrophobicContact CD1-CD1 3.49Å; F428-Y468 VanDerWaalsContact CD1-CD1 3.49Å; F428-Y468 HydrophobicContact CD1-CE1 4.19Å; F428-Y468 HydrophobicContact CD1-CG 4.34Å; F428-Y468 HydrophobicContact CD2-CD1 4.29Å; F428-Y468 HydrophobicContact CD2-CE1 4.18Å; F428-Y468 HydrophobicContact CE1-CD1 4.26Å; F428-Y468 AromaticContact CG-CD1 3.52Å; F428-Y468 HydrophobicContact CG-CD1 3.52Å; F428-Y468 AromaticContact CG-CE1 3.83Å; F428-Y468 HydrophobicContact CG-CE1 3.83Å; F428-Y468 HydrophobicContact CG-CG 4.42Å; H465-Y468 HydrophobicContact CB-CD2 4.17Å; H465-Y468 HydrophobicContact CB-CE1 4.49Å; H465-Y468 HydrophobicContact CB-CE2 3.68Å; H465-Y468 AromaticContact CD2-CE1 3.77Å; H465-Y468 AromaticContact CD2-CZ 3.59Å; H465-Y468 PolarHBondContact CD2-OH 3.41Å; Y468-F470 HydrophobicContact CD1-CE1 4.41Å; Y468-F470 HydrophobicContact CD1-CE2 4.27Å; Y468-F470 AromaticContact CD1-CZ 3.67Å; Y468-F470 HydrophobicContact CD1-CZ 3.67Å; Y468-F470 HydrophobicContact CG-CE2 4.26Å; Y468-F470 HydrophobicContact CG-CZ 4.12Å; Y468-L490 HydrophobicContact CD1-CD2 3.83Å; Y468-L490 HydrophobicContact CD2-CD1 4.13Å; Y468-L490 HydrophobicContact CD2-CD2 4.01Å; Y468-L490 HydrophobicContact CE1-CD2 3.64Å; Y468-L490 HydrophobicContact CE2-CD2 3.82Å; Y468-L490 HydrophobicContact CG-CD1 4.11Å; Y468-L490 HydrophobicContact CG-CD2 4.02Å; Y468-Y498 HydrophobicContact CD2-CD1 4.21Å; Y468-Y498 AromaticContact CD2-CE1 3.6Å; Y468-Y498 HydrophobicContact CD2-CE1 3.6Å; Y468-Y498 AromaticContact CD2-CZ 3.95Å; Y468-Y498 AromaticContact CE2-CE1 3.84Å; Y468-Y498 HydrophobicContact CE2-CE1 3.84Å; Y468-Y498 HydrophobicContact CE2-CE2 4.41Å; Y468-Y498 AromaticContact CE2-CZ 3.68Å; Y468-V513 WeakPolarHBondContact O-CA 3.48Å; Y468-L514 PolarHBondContact N-O 3.28Å; Y468-L514 PolarHBondContact O-N 3.17Å
469	V	98.9	Very high	91.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.5	176.8	-174.1	0	0	0	0	109.7	F428 I429 G430 I467 V511 A512 V513 F558 F606	F428-V469 PolarHBondContact O-N 3.11Å; I429-V469 CarbonylContact C-O 3.5Å; I429-V469 WeakPolarHBondContact CA-O 3.45Å; I429-V469 HydrophobicContact CG1-CB 4.39Å; G430-V469 PolarHBondContact N-O 2.91Å; I467-V469 HydrophobicContact CG2-CG2 3.97Å; V469-V511 HydrophobicContact CG1-CG2 3.94Å; V469-A512 WeakPolarHBondContact CA-O 3.23Å; V469-V513 HydrophobicContact CG1-CG2 4.14Å; V469-V513 HydrophobicContact CG2-CG1 4.36Å; V469-V513 HydrophobicContact CG2-CG2 4.09Å; V469-F558 HydrophobicContact CB-CD1 4.27Å; V469-F558 HydrophobicContact CG1-CB 4.17Å; V469-F558 HydrophobicContact CG1-CD1 4Å; V469-F558 HydrophobicContact CG1-CG 4.13Å; V469-F558 HydrophobicContact CG2-CD1 3.77Å; V469-F558 HydrophobicContact CG2-CD2 4.41Å; V469-F558 HydrophobicContact CG2-CE1 3.67Å; V469-F558 HydrophobicContact CG2-CE2 4.31Å; V469-F558 HydrophobicContact CG2-CG 4.15Å; V469-F558 HydrophobicContact CG2-CZ 3.95Å; V469-F606 HydrophobicContact CG1-CE1 4.3Å; V469-F606 HydrophobicContact CG1-CE2 4.24Å; V469-F606 HydrophobicContact CG1-CZ 3.54Å
470	F	98.9	Very high	92.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	101.8	-176.5	-61.8	-76.2	0	0	0	110.9	F428 W446 F447 Y468 L486 L490 V511 A512 L514	F428-F470 HydrophobicContact CD1-CE1 4.11Å; F428-F470 HydrophobicContact CD1-CZ 4.45Å; F428-F470 AromaticContact CE1-CD1 3.96Å; F428-F470 HydrophobicContact CE1-CD1 3.96Å; F428-F470 AromaticContact CE1-CE1 3.52Å; F428-F470 HydrophobicContact CE1-CE1 3.52Å; F428-F470 HydrophobicContact CE1-CZ 4.27Å; F428-F470 HydrophobicContact CZ-CE1 4.35Å; W446-F470 HydrophobicContact CE3-CD1 4.44Å; W446-F470 AromaticContact CH2-CD1 3.94Å; W446-F470 HydrophobicContact CH2-CD1 3.94Å; W446-F470 HydrophobicContact CZ2-CD1 4.43Å; W446-F470 AromaticContact CZ3-CD1 3.94Å; W446-F470 HydrophobicContact CZ3-CD1 3.94Å; W446-F470 HydrophobicContact CZ3-CE1 4.47Å; F447-F470 AromaticContact CD1-CE1 3.47Å; F447-F470 HydrophobicContact CD1-CE1 3.47Å; F447-F470 VanDerWaalsContact CD1-CE1 3.47Å; F447-F470 AromaticContact CD1-CZ 3.91Å; F447-F470 HydrophobicContact CD1-CZ 3.91Å; F447-F470 HydrophobicContact CE1-CD1 4.13Å; F447-F470 AromaticContact CE1-CE1 3.33Å; F447-F470 HydrophobicContact CE1-CE1 3.33Å; F447-F470 AromaticContact CE1-CZ 3.75Å; F447-F470 HydrophobicContact CE1-CZ 3.75Å; F447-F470 HydrophobicContact CG-CE1 4.35Å; F447-F470 HydrophobicContact CG-CZ 4.4Å; F447-F470 HydrophobicContact CZ-CE1 4.12Å; F447-F470 HydrophobicContact CZ-CZ 4.11Å; Y468-F470 HydrophobicContact CD1-CE1 4.41Å; Y468-F470 HydrophobicContact CD1-CE2 4.27Å; Y468-F470 AromaticContact CD1-CZ 3.67Å; Y468-F470 HydrophobicContact CD1-CZ 3.67Å; Y468-F470 HydrophobicContact CG-CE2 4.26Å; Y468-F470 HydrophobicContact CG-CZ 4.12Å; F470-L486 HydrophobicContact CB-CD1 3.95Å; F470-L486 HydrophobicContact CB-CD2 4.26Å; F470-L486 HydrophobicContact CD1-CD2 3.87Å; F470-L486 HydrophobicContact CD2-CD1 3.61Å; F470-L486 HydrophobicContact CD2-CD2 3.68Å; F470-L486 HydrophobicContact CD2-CG 4.17Å; F470-L486 HydrophobicContact CE1-CD2 4.07Å; F470-L486 HydrophobicContact CE2-CD1 4.32Å; F470-L486 HydrophobicContact CE2-CD2 3.85Å; F470-L486 HydrophobicContact CE2-CG 4.47Å; F470-L486 HydrophobicContact CG-CD1 3.93Å; F470-L486 HydrophobicContact CG-CD2 3.66Å; F470-L486 HydrophobicContact CG-CG 4.44Å; F470-L486 HydrophobicContact CZ-CD2 4.04Å; F470-L490 HydrophobicContact CE2-CD1 4.11Å; F470-L490 HydrophobicContact CZ-CD1 4.38Å; F470-L490 HydrophobicContact CZ-CD2 4.47Å; F470-V511 WeakPolarHBondContact O-CA 3.46Å; F470-A512 PolarHBondContact N-O 2.91Å; F470-A512 PolarHBondContact O-N 2.82Å; F470-A512 VanDerWaalsContact O-N 3.09Å; F470-L514 HydrophobicContact CD2-CD1 3.8Å; F470-L514 HydrophobicContact CE2-CD1 3.98Å
471	G	98.9	Very high	94	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	132.9	165.2	0	0	0	0	0	111.2	G430 T431 W432 N560	G430-G471 WeakPolarHBondContact O-CA 3.39Å; G430-G471 PolarHBondContact O-N 2.97Å; T431-G471 WeakPolarHBondContact CA-O 3.44Å; W432-G471 PolarHBondContact N-O 2.96Å; W432-G471 VanDerWaalsContact N-O 3.09Å; G471-N560 WeakPolarHBondContact CA-ND2 3.37Å
472	T	98.9	Very high	95.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	151.9	169.9	54.5	0	0	0	0	111.2	W432 M434 W446 N475 W482 I509 K510 N560	W432-T472 VanDerWaalsContact O-CA 3.26Å; W432-T472 WeakPolarHBondContact O-CA 3.48Å; M434-T472 HydrophobicContact CG-CG2 4.4Å; M434-T472 HydrophobicContact SD-CG2 3.71Å; W446-T472 HydrophobicContact CH2-CG2 4.21Å; T472-N475 PolarHBondContact OG1-ND2 2.95Å; T472-W482 HydrophobicContact CG2-CH2 4.19Å; T472-W482 HydrophobicContact CG2-CZ2 3.49Å; T472-W482 VanDerWaalsContact CG2-CZ2 3.49Å; T472-I509 WeakPolarHBondContact O-CA 3.28Å; T472-K510 PolarHBondContact N-O 3.07Å; T472-K510 PolarHBondContact O-N 3.31Å; T472-K510 PolarHBondContact OG1-O 3.34Å; T472-N560 PolarHBondContact N-ND2 3.34Å; T472-N560 VanDerWaalsContact N-ND2 3.17Å; T472-N560 PolarHBondContact O-ND2 3.16Å
473	Q	98.7	Very high	96.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	151.6	175.3	-44.6	78.4	30	0	0	109.4	T431 W432 N433 M434 N475 N508 N560 C561 H562 D608	T431-Q473 PolarHBondContact OG1-NE2 3.41Å; W432-Q473 PolarHBondContact O-N 2.67Å; W432-Q473 PolarHBondContact O-OE1 3.09Å; N433-Q473 CarbonylContact C-O 3.49Å; N433-Q473 WeakPolarHBondContact CA-O 3.28Å; N433-Q473 HydrophobicContact CB-CB 4.31Å; M434-Q473 PolarHBondContact N-O 3.26Å; Q473-N475 PolarHBondContact O-N 3.21Å; Q473-N475 VanDerWaalsContact O-N 3.09Å; Q473-N508 CarbonylContact C-O 3.56Å; Q473-N508 WeakPolarHBondContact CA-O 3.42Å; Q473-N560 PolarHBondContact NE2-OD1 3.19Å; Q473-C561 WeakPolarHBondContact CG-O 3.3Å; Q473-H562 HydrophobicContact CB-CB 4.11Å; Q473-H562 HydrophobicContact CG-CB 3.93Å; Q473-D608 HydrophobicContact CB-CB 4.42Å; Q473-D608 HydrophobicContact CG-CB 4.01Å
474	E	97.7	Very high	97	Very high	29 Å²	29	33 Å²	33	14%	0.136	17%	0.171	C	C	.	.	S	Bend	trans	49.2	33	-169.5	-48.8	-63.9	-172.8	0	0	112.7	N433 S436 S476 N508 N541 K542 H562	N433-E474 WeakPolarHBondContact OD1-CB 3.38Å; N433-E474 WeakPolarHBondContact OD1-CG 3.44Å; S436-E474 WeakPolarHBondContact CA-O 3.29Å; S436-E474 PolarHBondContact N-O 2.79Å; E474-S476 PolarHBondContact O-N 2.8Å; E474-N508 PolarHBondContact N-O 3.47Å; E474-N541 PolarHBondContact OE1-ND2 3.07Å; E474-N541 PolarHBondContact OE2-ND2 2.6Å; E474-K542 IonicContact OE1-NZ 3.5Å; E474-K542 PolarHBondContact OE1-NZ 3.47Å; E474-H562 IonicContact OE1-CE1 2.68Å; E474-H562 PolarHBondContact OE1-CE1 3.45Å; E474-H562 IonicContact OE1-ND1 2.79Å
475	N	97.8	Very high	97.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.182	C	C	.	.			trans	-79.2	110.9	176.6	-175.9	-12.6	0	0	0	110.4	M434 T472 Q473 V477 N508 K510	M434-N475 HydrophobicContact SD-CB 3.65Å; T472-N475 PolarHBondContact OG1-ND2 2.95Å; Q473-N475 PolarHBondContact O-N 3.21Å; Q473-N475 VanDerWaalsContact O-N 3.09Å; N475-V477 VanDerWaalsContact OD1-CB 3.3Å; N475-V477 WeakPolarHBondContact OD1-CB 3.42Å; N475-V477 PolarHBondContact OD1-N 2.86Å; N475-N508 PolarHBondContact N-O 3.41Å; N475-K510 HydrophobicContact CB-CD 4.24Å; N475-K510 HydrophobicContact CB-CG 4.39Å; N475-K510 WeakPolarHBondContact O-CE 3.5Å
476	S	96.1	Very high	97.5	Very high	61 Å²	61	35 Å²	35	43%	0.427	18%	0.18	S	C	.	.			trans	-88.3	-5	179.4	58.2	0	0	0	0	114.6	E474	E474-S476 PolarHBondContact O-N 2.8Å
477	V	96.9	Very high	97.5	Very high	7 Å²	7	38.6 Å²	38.6	4%	0.042	19%	0.192	C	C	.	.	S	Bend	trans	-77.6	143.1	-179.2	-174.2	0	0	0	0	109.9	M434 N475 E481 W482 L485 K510	M434-V477 HydrophobicContact CE-CG2 3.94Å; N475-V477 VanDerWaalsContact OD1-CB 3.3Å; N475-V477 WeakPolarHBondContact OD1-CB 3.42Å; N475-V477 PolarHBondContact OD1-N 2.86Å; V477-E481 HydrophobicContact CG1-CB 3.85Å; V477-E481 HydrophobicContact CG1-CG 3.58Å; V477-E481 WeakPolarHBondContact CG1-OE2 3.4Å; V477-W482 HydrophobicContact CB-CB 4.31Å; V477-W482 HydrophobicContact CG1-CB 4.01Å; V477-L485 HydrophobicContact CG1-CD1 4.23Å; V477-K510 PolarHBondContact O-NZ 2.87Å
478	G	96.7	Very high	97.4	Very high	36 Å²	36	40 Å²	40	37%	0.371	21%	0.206	S	C	.	.			trans	-64.9	147.8	178.1	0	0	0	0	0	112.4	R480 E481 W482	G478-R480 PolarHBondContact O-N 2.84Å; G478-E481 PolarHBondContact N-OE2 3.07Å; G478-E481 WeakPolarHBondContact O-CB 3.12Å; G478-E481 PolarHBondContact O-N 2.7Å; G478-W482 PolarHBondContact O-N 2.63Å
479	D	96.8	Very high	97.1	Very high	58 Å²	58	40.6 Å²	40.6	31%	0.31	21%	0.214	S	C	.	.	H	α-helix	trans	-56.7	-46.4	-170.6	-73.9	15.6	0	0	0	113.3	L483 M503 S505 K510	D479-L483 WeakPolarHBondContact O-CB 3.3Å; D479-L483 PolarHBondContact O-N 3.49Å; D479-M503 HydrophobicContact CB-CE 3.69Å; D479-M503 HydrophobicContact CB-SD 4.19Å; D479-S505 WeakPolarHBondContact OD2-CB 3.4Å; D479-S505 PolarHBondContact OD2-OG 2.85Å; D479-K510 WeakPolarHBondContact OD1-CD 3.39Å; D479-K510 WeakPolarHBondContact OD1-CE 3.28Å; D479-K510 IonicContact OD1-NZ 2.78Å; D479-K510 PolarHBondContact OD1-NZ 2.9Å
480	R	95.9	Very high	96.9	Very high	202 Å²	202	40.6 Å²	40.6	76%	0.762	21%	0.214	S	C	*	.	H	α-helix	trans	-62.4	-45	174.6	179.2	178.9	64.5	172.1	-1	112.4	G478 L483 D484	G478-R480 PolarHBondContact O-N 2.84Å; R480-L483 PolarHBondContact O-N 2.84Å; R480-D484 WeakPolarHBondContact CG-OD2 3.34Å; R480-D484 WeakPolarHBondContact O-CB 3.5Å; R480-D484 PolarHBondContact O-N 2.91Å
481	E	96.9	Very high	96.7	Very high	120 Å²	120	43.5 Å²	43.5	56%	0.561	23%	0.227	S	C	*	.	H	α-helix	trans	-63.9	-42.2	-178.9	179.5	-175.4	-160.8	0	0	111.1	V477 G478 D484 L485	V477-E481 HydrophobicContact CG1-CB 3.85Å; V477-E481 HydrophobicContact CG1-CG 3.58Å; V477-E481 WeakPolarHBondContact CG1-OE2 3.4Å; G478-E481 PolarHBondContact N-OE2 3.07Å; G478-E481 WeakPolarHBondContact O-CB 3.12Å; G478-E481 PolarHBondContact O-N 2.7Å; E481-D484 PolarHBondContact O-N 3.48Å; E481-L485 HydrophobicContact CG-CD1 4.37Å; E481-L485 WeakPolarHBondContact O-CB 3.4Å; E481-L485 VanDerWaalsContact O-CG 3.26Å; E481-L485 WeakPolarHBondContact O-CG 3.39Å; E481-L485 PolarHBondContact O-N 3.46Å
482	W	97.4	Very high	96.3	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-43.9	173.1	179.9	-119.5	0	0	0	111.7	M434 P439 W446 T472 V477 G478 L485 L486	M434-W482 HydrophobicContact CE-CZ3 4.28Å; M434-W482 HydrophobicContact SD-CH2 4.39Å; M434-W482 HydrophobicContact SD-CZ3 4.43Å; P439-W482 HydrophobicContact CB-CZ3 4.42Å; P439-W482 HydrophobicContact CG-CZ3 4.16Å; W446-W482 HydrophobicContact CH2-CZ2 4.47Å; W446-W482 HydrophobicContact CZ3-CH2 4.05Å; W446-W482 HydrophobicContact CZ3-CZ2 4.23Å; T472-W482 HydrophobicContact CG2-CH2 4.19Å; T472-W482 HydrophobicContact CG2-CZ2 3.49Å; T472-W482 VanDerWaalsContact CG2-CZ2 3.49Å; V477-W482 HydrophobicContact CB-CB 4.31Å; V477-W482 HydrophobicContact CG1-CB 4.01Å; G478-W482 PolarHBondContact O-N 2.63Å; W482-L485 HydrophobicContact CE3-CD1 4.49Å; W482-L485 PolarHBondContact O-N 3.43Å; W482-L486 HydrophobicContact CD2-CD1 4.44Å; W482-L486 HydrophobicContact CD2-CG 4.29Å; W482-L486 HydrophobicContact CH2-CD2 3.96Å; W482-L486 HydrophobicContact CH2-CG 4.5Å; W482-L486 HydrophobicContact CZ2-CD1 4.16Å; W482-L486 HydrophobicContact CZ2-CD2 3.66Å; W482-L486 HydrophobicContact CZ2-CG 4.01Å; W482-L486 WeakPolarHBondContact O-CG 3.48Å; W482-L486 PolarHBondContact O-N 3.09Å
483	L	97.4	Very high	95.9	Very high	30 Å²	30	53 Å²	53	16%	0.157	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-40.5	178.2	-169.1	62.9	0	0	0	112.6	D479 R480 L486 R487 P500 M503 A512 L514	D479-L483 WeakPolarHBondContact O-CB 3.3Å; D479-L483 PolarHBondContact O-N 3.49Å; R480-L483 PolarHBondContact O-N 2.84Å; L483-L486 PolarHBondContact O-N 2.88Å; L483-R487 WeakPolarHBondContact O-CB 3.42Å; L483-R487 VanDerWaalsContact O-CG 3.23Å; L483-R487 WeakPolarHBondContact O-CG 3.3Å; L483-R487 PolarHBondContact O-N 2.93Å; L483-P500 HydrophobicContact CD1-CB 4.1Å; L483-P500 HydrophobicContact CD2-CB 4Å; L483-P500 HydrophobicContact CD2-CG 4.31Å; L483-P500 HydrophobicContact CG-CB 4.48Å; L483-M503 HydrophobicContact CB-SD 4.1Å; L483-M503 HydrophobicContact CD1-SD 4.41Å; L483-A512 HydrophobicContact CD1-CB 4.2Å; L483-L514 HydrophobicContact CD1-CD1 4.31Å; L483-L514 HydrophobicContact CD1-CD2 4.29Å; L483-L514 HydrophobicContact CD1-CG 4.48Å
484	D	96.2	Very high	95.4	Very high	77 Å²	77	54 Å²	54	41%	0.412	28%	0.278	S	S	.	.	H	α-helix	trans	-71.4	-33.1	177.5	-72.5	-34.2	0	0	0	112	R480 E481 R487 G488	R480-D484 WeakPolarHBondContact CG-OD2 3.34Å; R480-D484 WeakPolarHBondContact O-CB 3.5Å; R480-D484 PolarHBondContact O-N 2.91Å; E481-D484 PolarHBondContact O-N 3.48Å; D484-R487 PolarHBondContact O-N 3.3Å; D484-R487 IonicContact OD1-NH1 3.71Å; D484-R487 PolarHBondContact OD1-NH1 2.83Å; D484-G488 PolarHBondContact O-N 3.26Å
485	L	96.8	Very high	95.1	Very high	86 Å²	86	56.1 Å²	56.1	45%	0.45	29%	0.29	S	S	.	.	H	α-helix	trans	-63	-46	168.9	-75.8	169.1	0	0	0	112.1	P439 V477 E481 W482 G488 G489	P439-L485 HydrophobicContact CG-CD1 4.2Å; V477-L485 HydrophobicContact CG1-CD1 4.23Å; E481-L485 HydrophobicContact CG-CD1 4.37Å; E481-L485 WeakPolarHBondContact O-CB 3.4Å; E481-L485 VanDerWaalsContact O-CG 3.26Å; E481-L485 WeakPolarHBondContact O-CG 3.39Å; E481-L485 PolarHBondContact O-N 3.46Å; W482-L485 HydrophobicContact CE3-CD1 4.49Å; W482-L485 PolarHBondContact O-N 3.43Å; L485-G488 PolarHBondContact O-N 3.09Å; L485-G489 PolarHBondContact O-N 2.82Å
486	L	97.3	Very high	94.8	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-60.3	-46.1	175.7	-72.3	176.7	0	0	0	111.6	F447 F470 W482 L483 L490 A512 L514	F447-L486 HydrophobicContact CE1-CD2 4.01Å; F447-L486 HydrophobicContact CZ-CD2 3.69Å; F470-L486 HydrophobicContact CB-CD1 3.95Å; F470-L486 HydrophobicContact CB-CD2 4.26Å; F470-L486 HydrophobicContact CD1-CD2 3.87Å; F470-L486 HydrophobicContact CD2-CD1 3.61Å; F470-L486 HydrophobicContact CD2-CD2 3.68Å; F470-L486 HydrophobicContact CD2-CG 4.17Å; F470-L486 HydrophobicContact CE1-CD2 4.07Å; F470-L486 HydrophobicContact CE2-CD1 4.32Å; F470-L486 HydrophobicContact CE2-CD2 3.85Å; F470-L486 HydrophobicContact CE2-CG 4.47Å; F470-L486 HydrophobicContact CG-CD1 3.93Å; F470-L486 HydrophobicContact CG-CD2 3.66Å; F470-L486 HydrophobicContact CG-CG 4.44Å; F470-L486 HydrophobicContact CZ-CD2 4.04Å; W482-L486 HydrophobicContact CD2-CD1 4.44Å; W482-L486 HydrophobicContact CD2-CG 4.29Å; W482-L486 HydrophobicContact CH2-CD2 3.96Å; W482-L486 HydrophobicContact CH2-CG 4.5Å; W482-L486 HydrophobicContact CZ2-CD1 4.16Å; W482-L486 HydrophobicContact CZ2-CD2 3.66Å; W482-L486 HydrophobicContact CZ2-CG 4.01Å; W482-L486 WeakPolarHBondContact O-CG 3.48Å; W482-L486 PolarHBondContact O-N 3.09Å; L483-L486 PolarHBondContact O-N 2.88Å; L486-L490 WeakPolarHBondContact O-CB 3.32Å; L486-L490 WeakPolarHBondContact O-CG 3.47Å; L486-L490 PolarHBondContact O-N 2.98Å; L486-A512 HydrophobicContact CD1-CB 3.92Å; L486-L514 HydrophobicContact CD1-CD1 4.18Å
487	R	96.6	Very high	94.8	Very high	95 Å²	95	59.5 Å²	59.5	36%	0.358	30%	0.304	S	S	.	.	H	α-helix	trans	-65.6	-41.8	178.8	-70.9	171	69.1	-128.2	-2.2	111.9	L483 D484 K491 L514	L483-R487 WeakPolarHBondContact O-CB 3.42Å; L483-R487 VanDerWaalsContact O-CG 3.23Å; L483-R487 WeakPolarHBondContact O-CG 3.3Å; L483-R487 PolarHBondContact O-N 2.93Å; D484-R487 PolarHBondContact O-N 3.3Å; D484-R487 IonicContact OD1-NH1 3.71Å; D484-R487 PolarHBondContact OD1-NH1 2.83Å; R487-K491 VanDerWaalsContact O-CB 3.29Å; R487-K491 WeakPolarHBondContact O-CB 3.44Å; R487-K491 PolarHBondContact O-N 2.8Å; R487-L514 HydrophobicContact CG-CD2 3.46Å; R487-L514 VanDerWaalsContact CG-CD2 3.46Å
488	G	95.2	Very high	94.8	Very high	30 Å²	30	59.3 Å²	59.3	31%	0.309	30%	0.302	S	S	.	.	H	α-helix	trans	-60	-53.1	174.5	0	0	0	0	0	112.2	D484 L485 L490 K491 E492	D484-G488 PolarHBondContact O-N 3.26Å; L485-G488 PolarHBondContact O-N 3.09Å; G488-L490 PolarHBondContact O-N 2.98Å; G488-K491 PolarHBondContact O-N 2.7Å; G488-K491 VanDerWaalsContact O-N 3.11Å; G488-E492 WeakPolarHBondContact O-CG 3.18Å; G488-E492 PolarHBondContact O-N 2.87Å
489	G	94	Very high	94.8	Very high	17 Å²	17	62.3 Å²	62.3	18%	0.175	30%	0.302	C	S	.	.	H	α-helix	trans	-63.4	-36.8	179.9	0	0	0	0	0	113.7	L485 L493	L485-G489 PolarHBondContact O-N 2.82Å; G489-L493 VanDerWaalsContact O-CB 3.3Å; G489-L493 WeakPolarHBondContact O-CB 3.43Å; G489-L493 PolarHBondContact O-N 2.8Å; G489-L493 VanDerWaalsContact O-N 3.1Å
490	L	94.7	Very high	94.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-67.6	-38.7	172.1	-74.5	179	0	0	0	112.2	F447 Y468 F470 L486 G488 L493 T494 Y498 L514	F447-L490 HydrophobicContact CD2-CD2 3.88Å; F447-L490 HydrophobicContact CD2-CG 4.29Å; F447-L490 HydrophobicContact CE2-CD2 4.32Å; F447-L490 HydrophobicContact CE2-CG 4.24Å; F447-L490 HydrophobicContact CG-CD2 4.46Å; Y468-L490 HydrophobicContact CD1-CD2 3.83Å; Y468-L490 HydrophobicContact CD2-CD1 4.13Å; Y468-L490 HydrophobicContact CD2-CD2 4.01Å; Y468-L490 HydrophobicContact CE1-CD2 3.64Å; Y468-L490 HydrophobicContact CE2-CD2 3.82Å; Y468-L490 HydrophobicContact CG-CD1 4.11Å; Y468-L490 HydrophobicContact CG-CD2 4.02Å; F470-L490 HydrophobicContact CE2-CD1 4.11Å; F470-L490 HydrophobicContact CZ-CD1 4.38Å; F470-L490 HydrophobicContact CZ-CD2 4.47Å; L486-L490 WeakPolarHBondContact O-CB 3.32Å; L486-L490 WeakPolarHBondContact O-CG 3.47Å; L486-L490 PolarHBondContact O-N 2.98Å; G488-L490 PolarHBondContact O-N 2.98Å; L490-L493 PolarHBondContact O-N 2.86Å; L490-T494 WeakPolarHBondContact O-CB 3.35Å; L490-T494 WeakPolarHBondContact O-CG2 3.48Å; L490-T494 PolarHBondContact O-N 3.36Å; L490-T494 PolarHBondContact O-OG1 3.49Å; L490-Y498 HydrophobicContact CB-CD2 3.92Å; L490-Y498 HydrophobicContact CB-CG 4.38Å; L490-Y498 HydrophobicContact CD1-CD1 4.18Å; L490-Y498 HydrophobicContact CD1-CD2 4.15Å; L490-Y498 HydrophobicContact CD1-CG 3.87Å; L490-L514 HydrophobicContact CD1-CB 4.44Å; L490-L514 HydrophobicContact CD1-CD2 4.37Å
491	K	94.2	Very high	95	Very high	61 Å²	61	54.3 Å²	54.3	27%	0.265	28%	0.277	S	S	.	.	H	α-helix	trans	-66.3	-42.7	176.5	179.8	60.7	-179.1	-178.8	0	111.9	R487 G488 D495 D497	R487-K491 VanDerWaalsContact O-CB 3.29Å; R487-K491 WeakPolarHBondContact O-CB 3.44Å; R487-K491 PolarHBondContact O-N 2.8Å; G488-K491 PolarHBondContact O-N 2.7Å; G488-K491 VanDerWaalsContact O-N 3.11Å; K491-D495 VanDerWaalsContact CE-OD1 3.28Å; K491-D495 WeakPolarHBondContact CE-OD1 3.24Å; K491-D495 PolarHBondContact NZ-O 2.69Å; K491-D495 IonicContact NZ-OD1 3.32Å; K491-D495 PolarHBondContact NZ-OD1 2.87Å; K491-D495 WeakPolarHBondContact O-CA 3.37Å; K491-D495 PolarHBondContact O-N 2.86Å; K491-D497 WeakPolarHBondContact CD-OD1 3.4Å; K491-D497 WeakPolarHBondContact CE-OD1 3.47Å; K491-D497 WeakPolarHBondContact CE-OD2 3.36Å; K491-D497 IonicContact NZ-OD1 3.48Å; K491-D497 IonicContact NZ-OD2 2.74Å; K491-D497 PolarHBondContact NZ-OD2 2.9Å
492	E	91.2	Very high	95	Very high	155 Å²	155	49.3 Å²	49.3	72%	0.724	26%	0.257	S	S	*	.	H	α-helix	trans	-62.1	-44	175.6	-72.6	179.5	-174.3	0	0	112.1	K306 G488	K306-E492 PolarHBondContact NZ-O 2.93Å; G488-E492 WeakPolarHBondContact O-CG 3.18Å; G488-E492 PolarHBondContact O-N 2.87Å
493	L	89.3	Confident	95	Very high	44 Å²	44	51.3 Å²	51.3	23%	0.23	27%	0.267	C	S	.	.	H	α-helix	trans	-64.3	-56.7	177.4	174.7	57.5	0	0	0	112	K306 T444 F447 T448 G489 L490	K306-L493 PolarHBondContact NZ-O 2.62Å; T444-L493 HydrophobicContact CG2-CD1 4.02Å; F447-L493 HydrophobicContact CB-CD2 3.92Å; T448-L493 HydrophobicContact CG2-CD1 3.63Å; T448-L493 HydrophobicContact CG2-CD2 3.68Å; T448-L493 HydrophobicContact CG2-CG 4.31Å; G489-L493 VanDerWaalsContact O-CB 3.3Å; G489-L493 WeakPolarHBondContact O-CB 3.43Å; G489-L493 PolarHBondContact O-N 2.8Å; G489-L493 VanDerWaalsContact O-N 3.1Å; L490-L493 PolarHBondContact O-N 2.86Å
494	T	88.9	Confident	95.1	Very high	21 Å²	21	52 Å²	52	13%	0.129	27%	0.269	C	S	.	.	H	α-helix	trans	-100.6	-17.3	-163.9	67.3	0	0	0	0	115	P464 L490 L496 Y498	P464-T494 HydrophobicContact CB-CG2 3.82Å; L490-T494 WeakPolarHBondContact O-CB 3.35Å; L490-T494 WeakPolarHBondContact O-CG2 3.48Å; L490-T494 PolarHBondContact O-N 3.36Å; L490-T494 PolarHBondContact O-OG1 3.49Å; T494-L496 PolarHBondContact O-N 3.01Å; T494-L496 WeakPolarHBondContact OG1-CB 3.39Å; T494-L496 PolarHBondContact OG1-N 2.91Å; T494-Y498 HydrophobicContact CG2-CE2 4.06Å; T494-Y498 WeakPolarHBondContact OG1-CE2 3.49Å
495	D	91.1	Very high	95.1	Very high	73 Å²	73	50 Å²	50	39%	0.39	26%	0.262	S	S	.	.	S	Bend	trans	59.5	17.3	-163.2	-157.4	12.4	0	0	0	114.7	K491	K491-D495 VanDerWaalsContact CE-OD1 3.28Å; K491-D495 WeakPolarHBondContact CE-OD1 3.24Å; K491-D495 PolarHBondContact NZ-O 2.69Å; K491-D495 IonicContact NZ-OD1 3.32Å; K491-D495 PolarHBondContact NZ-OD1 2.87Å; K491-D495 WeakPolarHBondContact O-CA 3.37Å; K491-D495 PolarHBondContact O-N 2.86Å
496	L	91.6	Very high	95.1	Very high	42 Å²	42	46.7 Å²	46.7	22%	0.22	24%	0.244	C	C	.	.			trans	-105.6	136.7	175.2	-55.5	178.7	0	0	0	112	P464 T494 Y498 K516	P464-L496 HydrophobicContact CB-CD1 4.07Å; P464-L496 HydrophobicContact CG-CD1 4.08Å; T494-L496 PolarHBondContact O-N 3.01Å; T494-L496 WeakPolarHBondContact OG1-CB 3.39Å; T494-L496 PolarHBondContact OG1-N 2.91Å; L496-Y498 VanDerWaalsContact C-N 3.33Å; L496-Y498 HydrophobicContact CB-CD2 3.96Å; L496-Y498 HydrophobicContact CB-CE2 3.74Å; L496-Y498 HydrophobicContact CD1-CE2 4.14Å; L496-Y498 HydrophobicContact CG-CE2 4.49Å; L496-Y498 PolarHBondContact O-N 2.64Å; L496-Y498 VanDerWaalsContact O-N 3.07Å; L496-K516 HydrophobicContact CD1-CD 4.47Å; L496-K516 HydrophobicContact CD1-CG 4.23Å
497	D	95.1	Very high	94.9	Very high	91 Å²	91	51.5 Å²	51.5	49%	0.487	26%	0.262	S	S	.	.			trans	-85.8	71.1	179	-63.5	-84.3	0	0	0	111.2	K491 R499 P517	K491-D497 WeakPolarHBondContact CD-OD1 3.4Å; K491-D497 WeakPolarHBondContact CE-OD1 3.47Å; K491-D497 WeakPolarHBondContact CE-OD2 3.36Å; K491-D497 IonicContact NZ-OD1 3.48Å; K491-D497 IonicContact NZ-OD2 2.74Å; K491-D497 PolarHBondContact NZ-OD2 2.9Å; D497-R499 PolarHBondContact O-N 2.77Å; D497-P517 WeakPolarHBondContact O-CG 3.41Å
498	Y	97.7	Very high	94.9	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.008	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-49.5	134.8	-176.6	-87	-96.5	0	0	0	113.6	P464 H465 Y468 L490 T494 L496 L514 V515 K516	P464-Y498 WeakPolarHBondContact CB-OH 3.41Å; H465-Y498 PolarHBondContact O-OH 2.6Å; Y468-Y498 HydrophobicContact CD2-CD1 4.21Å; Y468-Y498 AromaticContact CD2-CE1 3.6Å; Y468-Y498 HydrophobicContact CD2-CE1 3.6Å; Y468-Y498 AromaticContact CD2-CZ 3.95Å; Y468-Y498 AromaticContact CE2-CE1 3.84Å; Y468-Y498 HydrophobicContact CE2-CE1 3.84Å; Y468-Y498 HydrophobicContact CE2-CE2 4.41Å; Y468-Y498 AromaticContact CE2-CZ 3.68Å; L490-Y498 HydrophobicContact CB-CD2 3.92Å; L490-Y498 HydrophobicContact CB-CG 4.38Å; L490-Y498 HydrophobicContact CD1-CD1 4.18Å; L490-Y498 HydrophobicContact CD1-CD2 4.15Å; L490-Y498 HydrophobicContact CD1-CG 3.87Å; T494-Y498 HydrophobicContact CG2-CE2 4.06Å; T494-Y498 WeakPolarHBondContact OG1-CE2 3.49Å; L496-Y498 VanDerWaalsContact C-N 3.33Å; L496-Y498 HydrophobicContact CB-CD2 3.96Å; L496-Y498 HydrophobicContact CB-CE2 3.74Å; L496-Y498 HydrophobicContact CD1-CE2 4.14Å; L496-Y498 HydrophobicContact CG-CE2 4.49Å; L496-Y498 PolarHBondContact O-N 2.64Å; L496-Y498 VanDerWaalsContact O-N 3.07Å; Y498-L514 HydrophobicContact CD1-CB 4.37Å; Y498-V515 VanDerWaalsContact CD1-O 3.28Å; Y498-V515 WeakPolarHBondContact CD1-O 3.18Å; Y498-K516 HydrophobicContact CE1-CG 3.83Å; Y498-K516 WeakPolarHBondContact OH-CG 3.32Å
499	R	97.6	Very high	95.1	Very high	99 Å²	99	48.3 Å²	48.3	37%	0.374	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.3	-175.7	-61.2	-59.3	-172.7	92.3	7.4	110.6	D497 I501 L514 V515 P517 E520	D497-R499 PolarHBondContact O-N 2.77Å; R499-I501 PolarHBondContact O-N 3.09Å; R499-L514 CarbonylContact O-C 3.56Å; R499-L514 VanDerWaalsContact O-CA 3.28Å; R499-L514 WeakPolarHBondContact O-CA 3.02Å; R499-V515 HydrophobicContact CB-CG1 4.1Å; R499-V515 PolarHBondContact N-O 3.09Å; R499-V515 PolarHBondContact O-N 3.17Å; R499-P517 HydrophobicContact CG-CB 4.38Å; R499-P517 HydrophobicContact CG-CG 4.31Å; R499-E520 WeakPolarHBondContact CD-OE1 3.39Å; R499-E520 VanDerWaalsContact CG-OE1 3.24Å; R499-E520 WeakPolarHBondContact CG-OE1 3.5Å; R499-E520 IonicContact CZ-OE1 3.21Å; R499-E520 IonicContact CZ-OE2 2.77Å; R499-E520 IonicContact NE-OE1 2.67Å; R499-E520 IonicContact NH1-OE1 3.43Å; R499-E520 PolarHBondContact NH1-OE1 2.78Å; R499-E520 IonicContact NH1-OE2 3.92Å; R499-E520 PolarHBondContact NH1-OE2 3.03Å; R499-E520 IonicContact NH2-OE2 2.76Å
500	P	98	Very high	95.3	Very high	58 Å²	58	48.1 Å²	48.1	38%	0.377	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	122.1	174.8	31	-33.2	0	0	0	110	L483	L483-P500 HydrophobicContact CD1-CB 4.1Å; L483-P500 HydrophobicContact CD2-CB 4Å; L483-P500 HydrophobicContact CD2-CG 4.31Å; L483-P500 HydrophobicContact CG-CB 4.48Å
501	I	97.3	Very high	95.5	Very high	35 Å²	35	48.1 Å²	48.1	18%	0.179	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-45.6	176.7	-69.4	-53.4	0	0	0	110.9	R499 V513 V515 I523 V526 F549	R499-I501 PolarHBondContact O-N 3.09Å; I501-V513 HydrophobicContact CB-CB 4.42Å; I501-V513 HydrophobicContact CB-CG1 4.14Å; I501-V513 PolarHBondContact N-O 3.08Å; I501-V515 HydrophobicContact CD1-CB 4.5Å; I501-V515 HydrophobicContact CD1-CG1 3.62Å; I501-V515 HydrophobicContact CG1-CB 4.01Å; I501-V515 HydrophobicContact CG1-CG1 3.63Å; I501-I523 HydrophobicContact CD1-CB 4.05Å; I501-I523 HydrophobicContact CD1-CG1 3.81Å; I501-I523 HydrophobicContact CD1-CG2 4.03Å; I501-I523 HydrophobicContact CG1-CG1 4.19Å; I501-I523 HydrophobicContact CG1-CG2 4.36Å; I501-I523 HydrophobicContact CG2-CG2 3.81Å; I501-V526 HydrophobicContact CG2-CG1 4.07Å; I501-V526 HydrophobicContact CG2-CG2 3.85Å; I501-F549 HydrophobicContact CG2-CD1 4.24Å
502	A	97.9	Very high	95.7	Very high	15 Å²	15	45.2 Å²	45.2	12%	0.124	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	155.1	176.3	0	0	0	0	0	110.8	V513 V526 T528 V547	A502-V513 PolarHBondContact O-N 3.43Å; A502-V526 HydrophobicContact CB-CG1 3.9Å; A502-T528 HydrophobicContact CB-CG2 3.83Å; A502-V547 HydrophobicContact CB-CB 4.49Å; A502-V547 HydrophobicContact CB-CG1 3.7Å; A502-V547 HydrophobicContact CB-CG2 3.91Å
503	M	97.5	Very high	96.1	Very high	46 Å²	46	37.9 Å²	37.9	23%	0.227	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	137.2	166.6	-177	170.7	179	0	0	108.8	D479 L483 K510 V511 A512	D479-M503 HydrophobicContact CB-CE 3.69Å; D479-M503 HydrophobicContact CB-SD 4.19Å; L483-M503 HydrophobicContact CB-SD 4.1Å; L483-M503 HydrophobicContact CD1-SD 4.41Å; M503-K510 HydrophobicContact CE-CB 4.37Å; M503-K510 HydrophobicContact CE-CD 4.24Å; M503-V511 CarbonylContact C-O 3.56Å; M503-V511 VanDerWaalsContact CA-O 3.29Å; M503-V511 WeakPolarHBondContact CA-O 3.34Å; M503-V511 WeakPolarHBondContact CG-O 3.23Å; M503-A512 HydrophobicContact CB-CB 4.43Å; M503-A512 HydrophobicContact CG-CB 4.16Å; M503-A512 HydrophobicContact SD-CB 4.41Å
504	Q	98.3	Very high	96.5	Very high	43 Å²	43	35.8 Å²	35.8	20%	0.201	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	128.9	176.8	-178.2	65.5	67.5	0	0	109.8	K510 V511 T528 V545	Q504-K510 CarbonylContact O-C 3.58Å; Q504-K510 WeakPolarHBondContact O-CA 3.06Å; Q504-V511 HydrophobicContact CB-CG1 3.98Å; Q504-V511 PolarHBondContact N-O 3.33Å; Q504-V511 PolarHBondContact O-N 3.44Å; Q504-T528 HydrophobicContact CB-CG2 4.5Å; Q504-T528 PolarHBondContact OE1-OG1 3.4Å; Q504-V545 HydrophobicContact CB-CB 4.26Å; Q504-V545 HydrophobicContact CG-CB 3.84Å; Q504-V545 HydrophobicContact CG-CG1 3.93Å
505	S	97.8	Very high	97	Very high	37 Å²	37	34.8 Å²	34.8	26%	0.259	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	153.2	174	53.8	0	0	0	0	111.5	D479 I509	D479-S505 WeakPolarHBondContact OD2-CB 3.4Å; D479-S505 PolarHBondContact OD2-OG 2.85Å; S505-I509 CarbonylContact C-O 3.57Å; S505-I509 WeakPolarHBondContact CA-O 3.21Å
506	L	96	Very high	97.2	Very high	15 Å²	15	32.1 Å²	32.1	8%	0.079	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	100.2	170.3	176.7	62.6	0	0	0	107.4	N508 I509 V531 K532 A544 V545	L506-N508 PolarHBondContact O-N 2.9Å; L506-I509 PolarHBondContact N-O 3.26Å; L506-I509 WeakPolarHBondContact O-CB 3.35Å; L506-I509 PolarHBondContact O-N 2.83Å; L506-V531 VanDerWaalsContact CD2-O 3.29Å; L506-V531 WeakPolarHBondContact CD2-O 3.25Å; L506-K532 HydrophobicContact CD1-CG 4Å; L506-K532 HydrophobicContact CD2-CG 4.11Å; L506-A544 WeakPolarHBondContact CD2-O 3.45Å; L506-V545 HydrophobicContact CB-CG1 3.38Å
507	W	93.8	Very high	97.2	Very high	103 Å²	103	32.4 Å²	32.4	39%	0.39	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	-122.7	-163.1	-53.4	-74	0	0	0	110.5	I509 K532 G540	W507-I509 VanDerWaalsContact C-N 3.34Å; W507-K532 HydrophobicContact CH2-CB 4.07Å; W507-K532 HydrophobicContact CH2-CD 3.6Å; W507-K532 HydrophobicContact CH2-CG 3.54Å; W507-K532 HydrophobicContact CZ2-CD 4.1Å; W507-K532 HydrophobicContact CZ2-CG 4.46Å; W507-K532 HydrophobicContact CZ3-CB 4.34Å; W507-K532 HydrophobicContact CZ3-CD 4.36Å; W507-K532 HydrophobicContact CZ3-CG 3.83Å; W507-G540 VanDerWaalsContact CH2-O 3.28Å; W507-G540 WeakPolarHBondContact CH2-O 3.27Å; W507-G540 WeakPolarHBondContact CZ3-O 3.32Å
508	N	96	Very high	96.9	Very high	56 Å²	56	33.5 Å²	33.5	30%	0.299	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	10.4	-178.1	-56.7	-2.3	0	0	0	113	Q473 E474 N475 L506	Q473-N508 CarbonylContact C-O 3.56Å; Q473-N508 WeakPolarHBondContact CA-O 3.42Å; E474-N508 PolarHBondContact N-O 3.47Å; N475-N508 PolarHBondContact N-O 3.41Å; L506-N508 PolarHBondContact O-N 2.9Å
509	I	98.4	Very high	96.6	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.1	173.4	-45.4	173.9	0	0	0	107.2	T472 S505 L506 W507 V545 H562	T472-I509 WeakPolarHBondContact O-CA 3.28Å; S505-I509 CarbonylContact C-O 3.57Å; S505-I509 WeakPolarHBondContact CA-O 3.21Å; L506-I509 PolarHBondContact N-O 3.26Å; L506-I509 WeakPolarHBondContact O-CB 3.35Å; L506-I509 PolarHBondContact O-N 2.83Å; W507-I509 VanDerWaalsContact C-N 3.34Å; I509-V545 HydrophobicContact CG2-CG2 3.99Å; I509-H562 HydrophobicContact CD1-CB 3.69Å; I509-H562 HydrophobicContact CG1-CB 3.92Å
510	K	98.7	Very high	96.3	Very high	13 Å²	13	32.8 Å²	32.8	6%	0.057	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	138.3	-173.7	-44.4	-170.3	-177.6	-162	0	111.7	T472 N475 V477 D479 M503 Q504 N560	T472-K510 PolarHBondContact N-O 3.07Å; T472-K510 PolarHBondContact O-N 3.31Å; T472-K510 PolarHBondContact OG1-O 3.34Å; N475-K510 HydrophobicContact CB-CD 4.24Å; N475-K510 HydrophobicContact CB-CG 4.39Å; N475-K510 WeakPolarHBondContact O-CE 3.5Å; V477-K510 PolarHBondContact O-NZ 2.87Å; D479-K510 WeakPolarHBondContact OD1-CD 3.39Å; D479-K510 WeakPolarHBondContact OD1-CE 3.28Å; D479-K510 IonicContact OD1-NZ 2.78Å; D479-K510 PolarHBondContact OD1-NZ 2.9Å; M503-K510 HydrophobicContact CE-CB 4.37Å; M503-K510 HydrophobicContact CE-CD 4.24Å; Q504-K510 CarbonylContact O-C 3.58Å; Q504-K510 WeakPolarHBondContact O-CA 3.06Å; K510-N560 PolarHBondContact O-ND2 3.43Å
511	V	98.8	Very high	95.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	135.7	169.5	64.2	0	0	0	0	109.4	V469 F470 M503 Q504 V545 V547 N560 F606	V469-V511 HydrophobicContact CG1-CG2 3.94Å; F470-V511 WeakPolarHBondContact O-CA 3.46Å; M503-V511 CarbonylContact C-O 3.56Å; M503-V511 VanDerWaalsContact CA-O 3.29Å; M503-V511 WeakPolarHBondContact CA-O 3.34Å; M503-V511 WeakPolarHBondContact CG-O 3.23Å; Q504-V511 HydrophobicContact CB-CG1 3.98Å; Q504-V511 PolarHBondContact N-O 3.33Å; Q504-V511 PolarHBondContact O-N 3.44Å; V511-V545 HydrophobicContact CB-CG2 3.86Å; V511-V545 HydrophobicContact CG1-CB 4.01Å; V511-V545 HydrophobicContact CG1-CG2 3.59Å; V511-V547 HydrophobicContact CG1-CG2 3.81Å; V511-N560 HydrophobicContact CB-CB 4.05Å; V511-N560 HydrophobicContact CG2-CB 4.44Å; V511-F606 HydrophobicContact CG2-CE2 4.48Å; V511-F606 HydrophobicContact CG2-CZ 4.23Å
512	A	98.8	Very high	95.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136.3	171.4	0	0	0	0	0	109.7	V469 F470 L483 L486 M503 L514	V469-A512 WeakPolarHBondContact CA-O 3.23Å; F470-A512 PolarHBondContact N-O 2.91Å; F470-A512 PolarHBondContact O-N 2.82Å; F470-A512 VanDerWaalsContact O-N 3.09Å; L483-A512 HydrophobicContact CD1-CB 4.2Å; L486-A512 HydrophobicContact CD1-CB 3.92Å; M503-A512 HydrophobicContact CB-CB 4.43Å; M503-A512 HydrophobicContact CG-CB 4.16Å; M503-A512 HydrophobicContact SD-CB 4.41Å; A512-L514 HydrophobicContact CB-CD1 4.15Å
513	V	98.8	Very high	95.4	Very high	1 Å²	1	38 Å²	38	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.3	174.6	179	0	0	0	0	108.9	I467 Y468 V469 I501 A502 V547 F549	I467-V513 HydrophobicContact CG2-CG1 3.92Å; Y468-V513 WeakPolarHBondContact O-CA 3.48Å; V469-V513 HydrophobicContact CG1-CG2 4.14Å; V469-V513 HydrophobicContact CG2-CG1 4.36Å; V469-V513 HydrophobicContact CG2-CG2 4.09Å; I501-V513 HydrophobicContact CB-CB 4.42Å; I501-V513 HydrophobicContact CB-CG1 4.14Å; I501-V513 PolarHBondContact N-O 3.08Å; A502-V513 PolarHBondContact O-N 3.43Å; V513-V547 HydrophobicContact CB-CG1 4.48Å; V513-V547 HydrophobicContact CG2-CB 3.96Å; V513-V547 HydrophobicContact CG2-CG1 3.76Å; V513-V547 HydrophobicContact CG2-CG2 4.17Å; V513-F549 HydrophobicContact CG1-CE1 3.8Å; V513-F549 HydrophobicContact CG1-CZ 4.23Å
514	L	98.7	Very high	95.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	143.3	177.4	-61.7	94.6	0	0	0	110.5	I467 Y468 F470 L483 L486 R487 L490 Y498 R499 A512	I467-L514 CarbonylContact C-O 3.57Å; I467-L514 WeakPolarHBondContact CA-O 3.21Å; Y468-L514 PolarHBondContact N-O 3.28Å; Y468-L514 PolarHBondContact O-N 3.17Å; F470-L514 HydrophobicContact CD2-CD1 3.8Å; F470-L514 HydrophobicContact CE2-CD1 3.98Å; L483-L514 HydrophobicContact CD1-CD1 4.31Å; L483-L514 HydrophobicContact CD1-CD2 4.29Å; L483-L514 HydrophobicContact CD1-CG 4.48Å; L486-L514 HydrophobicContact CD1-CD1 4.18Å; R487-L514 HydrophobicContact CG-CD2 3.46Å; R487-L514 VanDerWaalsContact CG-CD2 3.46Å; L490-L514 HydrophobicContact CD1-CB 4.44Å; L490-L514 HydrophobicContact CD1-CD2 4.37Å; Y498-L514 HydrophobicContact CD1-CB 4.37Å; R499-L514 CarbonylContact O-C 3.56Å; R499-L514 VanDerWaalsContact O-CA 3.28Å; R499-L514 WeakPolarHBondContact O-CA 3.02Å; A512-L514 HydrophobicContact CB-CD1 4.15Å
515	V	98.3	Very high	94.9	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	154.1	-177.1	74.5	0	0	0	0	111.6	D466 I467 Y498 R499 I501 H519	D466-V515 WeakPolarHBondContact O-CA 3.48Å; D466-V515 WeakPolarHBondContact O-CG2 3.36Å; I467-V515 HydrophobicContact CG1-CG2 4.16Å; Y498-V515 VanDerWaalsContact CD1-O 3.28Å; Y498-V515 WeakPolarHBondContact CD1-O 3.18Å; R499-V515 HydrophobicContact CB-CG1 4.1Å; R499-V515 PolarHBondContact N-O 3.09Å; R499-V515 PolarHBondContact O-N 3.17Å; I501-V515 HydrophobicContact CD1-CB 4.5Å; I501-V515 HydrophobicContact CD1-CG1 3.62Å; I501-V515 HydrophobicContact CG1-CB 4.01Å; I501-V515 HydrophobicContact CG1-CG1 3.63Å; V515-H519 HydrophobicContact CG2-CB 3.78Å
516	K	95.8	Very high	94.9	Very high	16 Å²	16	44.1 Å²	44.1	7%	0.07	22%	0.22	C	C	.	.			trans	-57.3	141.7	166.6	-70.9	178.7	-179.3	166.1	0	110.8	P464 H465 D466 L496 Y498 E518 H519	P464-K516 WeakPolarHBondContact O-CE 3.34Å; P464-K516 PolarHBondContact O-NZ 3.47Å; H465-K516 WeakPolarHBondContact O-CE 3.47Å; D466-K516 PolarHBondContact O-N 3.28Å; D466-K516 WeakPolarHBondContact OD1-CE 3.21Å; D466-K516 IonicContact OD1-NZ 2.67Å; D466-K516 PolarHBondContact OD1-NZ 3.2Å; L496-K516 HydrophobicContact CD1-CD 4.47Å; L496-K516 HydrophobicContact CD1-CG 4.23Å; Y498-K516 HydrophobicContact CE1-CG 3.83Å; Y498-K516 WeakPolarHBondContact OH-CG 3.32Å; K516-E518 HydrophobicContact CB-CG 3.99Å; K516-E518 HydrophobicContact CD-CG 4.44Å; K516-E518 PolarHBondContact O-N 2.78Å; K516-E518 VanDerWaalsContact O-N 3.11Å; K516-H519 PolarHBondContact O-N 3.33Å
517	P	92.6	Very high	94.9	Very high	48 Å²	48	45.1 Å²	45.1	31%	0.312	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-52.7	-34.9	177.9	-28.2	35.4	0	0	0	114.5	D497 R499 H519 E520	D497-P517 WeakPolarHBondContact O-CG 3.41Å; R499-P517 HydrophobicContact CG-CB 4.38Å; R499-P517 HydrophobicContact CG-CG 4.31Å; P517-H519 PolarHBondContact O-N 3.15Å; P517-E520 WeakPolarHBondContact O-CB 3.49Å; P517-E520 PolarHBondContact O-N 2.84Å
518	E	87.7	Confident	95.1	Very high	115 Å²	115	42.9 Å²	42.9	54%	0.537	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-66.8	-14.3	-179.3	69.1	-158.7	-142.6	0	0	114.9	K516 R522	K516-E518 HydrophobicContact CB-CG 3.99Å; K516-E518 HydrophobicContact CD-CG 4.44Å; K516-E518 PolarHBondContact O-N 2.78Å; K516-E518 VanDerWaalsContact O-N 3.11Å; E518-R522 PolarHBondContact O-NH1 2.86Å
519	H	92.9	Very high	95.2	Very high	16 Å²	16	40.8 Å²	40.8	7%	0.074	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-108	4.1	174.4	-43.6	-54.4	0	0	0	113.6	V515 K516 P517 N521 R522 I523 F551	V515-H519 HydrophobicContact CG2-CB 3.78Å; K516-H519 PolarHBondContact O-N 3.33Å; P517-H519 PolarHBondContact O-N 3.15Å; H519-N521 VanDerWaalsContact C-N 3.26Å; H519-N521 PolarHBondContact O-N 3.45Å; H519-R522 HydrophobicContact CB-CB 4.34Å; H519-R522 WeakPolarHBondContact CE1-CD 3.22Å; H519-R522 PolarHBondContact CE1-NE 2.94Å; H519-R522 PolarHBondContact CE1-NH1 3.41Å; H519-R522 PolarHBondContact ND1-NH1 2.93Å; H519-R522 WeakPolarHBondContact O-CA 3.46Å; H519-R522 WeakPolarHBondContact O-CB 3.44Å; H519-R522 PolarHBondContact O-N 3.24Å; H519-I523 PolarHBondContact O-N 2.9Å; H519-F551 HydrophobicContact CB-CE2 3.65Å; H519-F551 HydrophobicContact CB-CZ 4.02Å; H519-F551 AromaticContact CE1-CZ 3.99Å; H519-F551 AromaticContact CG-CE2 3.75Å; H519-F551 AromaticContact CG-CZ 3.83Å; H519-F551 AromaticContact ND1-CZ 3.86Å
520	E	91.3	Very high	95.1	Very high	69 Å²	69	43 Å²	43	32%	0.322	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-54.2	-42.9	-179.4	-173	169	-121.4	0	0	111.8	R499 P517 R522 I523	R499-E520 WeakPolarHBondContact CD-OE1 3.39Å; R499-E520 VanDerWaalsContact CG-OE1 3.24Å; R499-E520 WeakPolarHBondContact CG-OE1 3.5Å; R499-E520 IonicContact CZ-OE1 3.21Å; R499-E520 IonicContact CZ-OE2 2.77Å; R499-E520 IonicContact NE-OE1 2.67Å; R499-E520 IonicContact NH1-OE1 3.43Å; R499-E520 PolarHBondContact NH1-OE1 2.78Å; R499-E520 IonicContact NH1-OE2 3.92Å; R499-E520 PolarHBondContact NH1-OE2 3.03Å; R499-E520 IonicContact NH2-OE2 2.76Å; P517-E520 WeakPolarHBondContact O-CB 3.49Å; P517-E520 PolarHBondContact O-N 2.84Å; E520-R522 PolarHBondContact O-N 3.34Å; E520-I523 PolarHBondContact O-N 2.8Å
521	N	88.3	Confident	95	Very high	155 Å²	155	42.8 Å²	42.8	83%	0.829	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-73.9	-6.7	176.6	-62.7	-27.6	0	0	0	114.8	H519	H519-N521 VanDerWaalsContact C-N 3.26Å; H519-N521 PolarHBondContact O-N 3.45Å
522	R	91.1	Very high	94.8	Very high	39 Å²	39	47.5 Å²	47.5	15%	0.147	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-95	-12.6	178.9	-62.8	176	168	118.5	-5.8	112.4	D420 E421 E518 H519 E520 F551 N552	D420-R522 PolarHBondContact O-NH2 2.96Å; E421-R522 VanDerWaalsContact CD-NE 3.31Å; E421-R522 IonicContact OE1-CZ 3.79Å; E421-R522 IonicContact OE1-NE 3.53Å; E421-R522 PolarHBondContact OE1-NE 2.99Å; E421-R522 VanDerWaalsContact OE1-NE 3.1Å; E421-R522 IonicContact OE1-NH2 3.73Å; E421-R522 PolarHBondContact OE1-NH2 2.74Å; E421-R522 WeakPolarHBondContact OE2-CD 3.47Å; E421-R522 IonicContact OE2-CZ 3.67Å; E421-R522 IonicContact OE2-NE 3Å; E421-R522 PolarHBondContact OE2-NE 2.69Å; E421-R522 IonicContact OE2-NH2 2.89Å; E421-R522 PolarHBondContact OE2-NH2 3.19Å; E518-R522 PolarHBondContact O-NH1 2.86Å; H519-R522 HydrophobicContact CB-CB 4.34Å; H519-R522 WeakPolarHBondContact CE1-CD 3.22Å; H519-R522 PolarHBondContact CE1-NE 2.94Å; H519-R522 PolarHBondContact CE1-NH1 3.41Å; H519-R522 PolarHBondContact ND1-NH1 2.93Å; H519-R522 WeakPolarHBondContact O-CA 3.46Å; H519-R522 WeakPolarHBondContact O-CB 3.44Å; H519-R522 PolarHBondContact O-N 3.24Å; E520-R522 PolarHBondContact O-N 3.34Å; R522-F551 HydrophobicContact CB-CE1 4.38Å; R522-F551 HydrophobicContact CB-CE2 4.48Å; R522-F551 HydrophobicContact CB-CZ 4.3Å; R522-N552 WeakPolarHBondContact CB-OD1 3.47Å; R522-N552 PolarHBondContact O-N 2.85Å
523	I	94.1	Very high	94.4	Very high	23 Å²	23	47.5 Å²	47.5	12%	0.118	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	129.3	178.7	-53.2	-53.9	0	0	0	109.8	I501 H519 E520 V526 F549 M550 F551	I501-I523 HydrophobicContact CD1-CB 4.05Å; I501-I523 HydrophobicContact CD1-CG1 3.81Å; I501-I523 HydrophobicContact CD1-CG2 4.03Å; I501-I523 HydrophobicContact CG1-CG1 4.19Å; I501-I523 HydrophobicContact CG1-CG2 4.36Å; I501-I523 HydrophobicContact CG2-CG2 3.81Å; H519-I523 PolarHBondContact O-N 2.9Å; E520-I523 PolarHBondContact O-N 2.8Å; I523-V526 HydrophobicContact CG2-CG2 3.7Å; I523-F549 HydrophobicContact CD1-CD2 3.89Å; I523-F549 HydrophobicContact CD1-CE2 3.88Å; I523-F549 HydrophobicContact CG2-CB 3.91Å; I523-F549 HydrophobicContact CG2-CD2 3.99Å; I523-F549 HydrophobicContact CG2-CG 4.02Å; I523-M550 WeakPolarHBondContact CA-O 3.26Å; I523-F551 HydrophobicContact CD1-CB 4.27Å; I523-F551 HydrophobicContact CD1-CD2 3.56Å; I523-F551 HydrophobicContact CD1-CE2 4.32Å; I523-F551 HydrophobicContact CD1-CG 4.26Å
524	S	91.6	Very high	93.2	Very high	39 Å²	39	47.9 Å²	47.9	27%	0.273	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	173.5	173.1	68.3	0	0	0	0	111.3	V526 F549 M550	S524-V526 PolarHBondContact O-N 3.37Å; S524-V526 VanDerWaalsContact O-N 3.16Å; S524-F549 WeakPolarHBondContact O-CB 3.48Å; S524-M550 PolarHBondContact N-O 2.95Å; S524-M550 PolarHBondContact O-N 2.96Å
525	H	93.1	Very high	91.5	Very high	146 Å²	146	54.1 Å²	54.1	68%	0.676	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.9	37.7	174.9	-57.3	89.2	0	0	0	114.1	S527 M550	H525-S527 PolarHBondContact O-N 3.15Å; H525-M550 HydrophobicContact CB-CG 4.29Å
526	V	97.4	Very high	89.7	Confident	70 Å²	70	58 Å²	58	42%	0.424	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	126.4	178.3	-174.3	0	0	0	0	109.8	I501 A502 I523 S524 S548 F549	I501-V526 HydrophobicContact CG2-CG1 4.07Å; I501-V526 HydrophobicContact CG2-CG2 3.85Å; A502-V526 HydrophobicContact CB-CG1 3.9Å; I523-V526 HydrophobicContact CG2-CG2 3.7Å; S524-V526 PolarHBondContact O-N 3.37Å; S524-V526 VanDerWaalsContact O-N 3.16Å; V526-S548 CarbonylContact C-O 3.56Å; V526-S548 WeakPolarHBondContact CA-O 3.48Å; V526-F549 HydrophobicContact CG2-CB 4.08Å
527	S	96.9	Very high	87.9	Confident	36 Å²	36	59.9 Å²	59.9	25%	0.252	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	144.9	-179.9	173.7	0	0	0	0	109.9	H525 V547 S548	H525-S527 PolarHBondContact O-N 3.15Å; S527-V547 CarbonylContact O-C 3.5Å; S527-V547 WeakPolarHBondContact O-CA 3.42Å; S527-S548 PolarHBondContact N-O 3.4Å; S527-S548 PolarHBondContact O-N 2.95Å
528	T	98.3	Very high	86	Confident	57 Å²	57	62.2 Å²	62.2	35%	0.35	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	151.2	176.7	71.8	0	0	0	0	110.6	A502 Q504 G546 V547	A502-T528 HydrophobicContact CB-CG2 3.83Å; Q504-T528 HydrophobicContact CB-CG2 4.5Å; Q504-T528 PolarHBondContact OE1-OG1 3.4Å; T528-G546 WeakPolarHBondContact CA-O 3.2Å; T528-V547 HydrophobicContact CG2-CG2 4.08Å
529	S	97.6	Very high	84.5	Confident	11 Å²	11	62.5 Å²	62.5	8%	0.077	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	164.9	178.9	-171.2	0	0	0	0	111.2	V545 G546 S585	S529-V545 CarbonylContact O-C 3.58Å; S529-V545 WeakPolarHBondContact O-CA 3.25Å; S529-G546 PolarHBondContact N-O 2.81Å; S529-G546 VanDerWaalsContact N-O 3.09Å; S529-G546 PolarHBondContact O-N 3.09Å; S529-S585 PolarHBondContact OG-N 2.69Å; S529-S585 VanDerWaalsContact OG-N 3.1Å; S529-S585 PolarHBondContact OG-OG 2.93Å
530	S	97.3	Very high	83.1	Confident	48 Å²	48	63.7 Å²	63.7	34%	0.336	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	148.2	175.7	74	0	0	0	0	112	A544	S530-A544 CarbonylContact C-O 3.58Å; S530-A544 WeakPolarHBondContact CA-O 3.23Å; S530-A544 VanDerWaalsContact CB-O 3.31Å; S530-A544 WeakPolarHBondContact CB-O 3.32Å
531	V	96.3	Very high	82.9	Confident	8 Å²	8	63.1 Å²	63.1	5%	0.048	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.7	-179.6	177.4	0	0	0	0	109.8	L506 T533 G543 A544 I580 L583 L584	L506-V531 VanDerWaalsContact CD2-O 3.29Å; L506-V531 WeakPolarHBondContact CD2-O 3.25Å; V531-T533 HydrophobicContact CG1-CG2 3.9Å; V531-G543 CarbonylContact O-C 3.37Å; V531-G543 WeakPolarHBondContact O-CA 3.4Å; V531-A544 PolarHBondContact N-O 3.29Å; V531-A544 PolarHBondContact O-N 2.92Å; V531-I580 HydrophobicContact CB-CG1 4.36Å; V531-I580 HydrophobicContact CG1-CG1 4.35Å; V531-L583 HydrophobicContact CG1-CB 4.05Å; V531-L583 HydrophobicContact CG1-CD1 4.21Å; V531-L583 HydrophobicContact CG2-CB 3.81Å; V531-L584 HydrophobicContact CG2-CB 3.76Å; V531-L584 HydrophobicContact CG2-CD1 3.83Å; V531-L584 HydrophobicContact CG2-CG 4.42Å
532	K	95	Very high	83.2	Confident	100 Å²	100	56.6 Å²	56.6	44%	0.435	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	128.2	176.2	-63.8	177.1	175.5	173.1	0	109.7	L506 W507 N537	L506-K532 HydrophobicContact CD1-CG 4Å; L506-K532 HydrophobicContact CD2-CG 4.11Å; W507-K532 HydrophobicContact CH2-CB 4.07Å; W507-K532 HydrophobicContact CH2-CD 3.6Å; W507-K532 HydrophobicContact CH2-CG 3.54Å; W507-K532 HydrophobicContact CZ2-CD 4.1Å; W507-K532 HydrophobicContact CZ2-CG 4.46Å; W507-K532 HydrophobicContact CZ3-CB 4.34Å; W507-K532 HydrophobicContact CZ3-CD 4.36Å; W507-K532 HydrophobicContact CZ3-CG 3.83Å; K532-N537 VanDerWaalsContact CB-O 3.27Å; K532-N537 WeakPolarHBondContact CB-O 3.49Å
533	T	90.1	Very high	83.5	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	32%	0.322	C	S	.	.			trans	-132.3	16.4	-177.1	67.3	0	0	0	0	113.9	V531 K542 G543 R572 N576 D579 I580	V531-T533 HydrophobicContact CG1-CG2 3.9Å; T533-K542 PolarHBondContact N-O 2.94Å; T533-G543 VanDerWaalsContact OG1-CA 3.32Å; T533-G543 WeakPolarHBondContact OG1-CA 3.46Å; T533-G543 PolarHBondContact OG1-N 2.88Å; T533-R572 PolarHBondContact O-NH2 3.31Å; T533-N576 WeakPolarHBondContact CB-ND2 3.49Å; T533-N576 HydrophobicContact CG2-CB 4.47Å; T533-N576 PolarHBondContact O-ND2 2.83Å; T533-D579 HydrophobicContact CG2-CB 3.9Å; T533-I580 HydrophobicContact CG2-CD1 4.31Å; T533-I580 HydrophobicContact CG2-CG1 3.81Å
534	G	72.3	Confident	83.7	Confident	8 Å²	8	53.7 Å²	53.7	8%	0.082	32%	0.316	C	S	.	.	S	Bend	trans	-62.6	-164.8	171.6	0	0	0	0	0	114.2	A536 N537 L539 K542 R572	G534-A536 PolarHBondContact O-N 3.34Å; G534-N537 WeakPolarHBondContact O-CA 3.32Å; G534-N537 PolarHBondContact O-N 2.82Å; G534-L539 CarbonylContact C-O 3.52Å; G534-L539 WeakPolarHBondContact CA-O 3.36Å; G534-K542 PolarHBondContact N-O 3.32Å; G534-R572 PolarHBondContact O-NH2 3Å
535	I	63.6	Low	84	Confident	132 Å²	132	51.8 Å²	51.8	68%	0.677	30%	0.303	S	S	*	.	B	Isolated β-bridge	trans	-61.8	134.3	176.5	-57	175.2	0	0	0	108.5	N537 T538 L539	I535-N537 PolarHBondContact O-N 3.14Å; I535-T538 PolarHBondContact O-N 3.21Å; I535-L539 HydrophobicContact CB-CB 4.47Å; I535-L539 PolarHBondContact N-O 2.86Å; I535-L539 PolarHBondContact O-N 2.8Å
536	A	61.3	Low	84.3	Confident	83 Å²	83	44.9 Å²	44.9	69%	0.686	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	30.9	-172.1	0	0	0	0	0	114	G534 T538	G534-A536 PolarHBondContact O-N 3.34Å; A536-T538 PolarHBondContact O-N 2.89Å; A536-T538 PolarHBondContact O-OG1 2.98Å
537	N	58	Low	84.3	Confident	55 Å²	55	41.5 Å²	41.5	29%	0.294	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	19.5	-176.7	-69	17.1	0	0	0	115.1	K532 G534 I535 R572 D579	K532-N537 VanDerWaalsContact CB-O 3.27Å; K532-N537 WeakPolarHBondContact CB-O 3.49Å; G534-N537 WeakPolarHBondContact O-CA 3.32Å; G534-N537 PolarHBondContact O-N 2.82Å; I535-N537 PolarHBondContact O-N 3.14Å; N537-R572 PolarHBondContact OD1-NH2 3.34Å; N537-D579 PolarHBondContact ND2-OD2 2.94Å
538	T	52.5	Low	84.4	Confident	96 Å²	96	39.9 Å²	39.9	59%	0.589	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-136	-29.6	-173.7	45	0	0	0	0	112.9	I535 A536	I535-T538 PolarHBondContact O-N 3.21Å; A536-T538 PolarHBondContact O-N 2.89Å; A536-T538 PolarHBondContact O-OG1 2.98Å
539	L	56	Low	84.4	Confident	122 Å²	122	37.4 Å²	37.4	64%	0.639	22%	0.223	S	C	*	.	B	Isolated β-bridge	trans	-113.7	118.5	-169.7	-161.3	75.6	0	0	0	112.6	G534 I535	G534-L539 CarbonylContact C-O 3.52Å; G534-L539 WeakPolarHBondContact CA-O 3.36Å; I535-L539 HydrophobicContact CB-CB 4.47Å; I535-L539 PolarHBondContact N-O 2.86Å; I535-L539 PolarHBondContact O-N 2.8Å
540	G	64	Low	84.3	Confident	40 Å²	40	38.9 Å²	38.9	41%	0.412	23%	0.23	S	C	.	.	S	Bend	trans	108.7	158.6	173.6	0	0	0	0	0	114.8	W507 K542	W507-G540 VanDerWaalsContact CH2-O 3.28Å; W507-G540 WeakPolarHBondContact CH2-O 3.27Å; W507-G540 WeakPolarHBondContact CZ3-O 3.32Å; G540-K542 PolarHBondContact O-N 3.32Å
541	N	85.7	Confident	84.2	Confident	57 Å²	57	36.6 Å²	36.6	31%	0.305	21%	0.214	S	C	.	.	S	Bend	trans	-77.3	47.4	-167.5	70.1	-13.3	0	0	0	114.9	E474	E474-N541 PolarHBondContact OE1-ND2 3.07Å; E474-N541 PolarHBondContact OE2-ND2 2.6Å
542	K	94.9	Very high	83.9	Confident	19 Å²	19	36.5 Å²	36.5	8%	0.083	21%	0.213	C	C	.	.			trans	-132.3	137.2	-176.4	-61	-69.7	166.5	-86.5	0	110.6	E474 T533 G534 G540 H562 L563	E474-K542 IonicContact OE1-NZ 3.5Å; E474-K542 PolarHBondContact OE1-NZ 3.47Å; T533-K542 PolarHBondContact N-O 2.94Å; G534-K542 PolarHBondContact N-O 3.32Å; G540-K542 PolarHBondContact O-N 3.32Å; K542-H562 WeakPolarHBondContact CA-O 3.37Å; K542-H562 HydrophobicContact CD-CB 4.34Å; K542-H562 VanDerWaalsContact CD-O 3.3Å; K542-H562 WeakPolarHBondContact CD-O 3.22Å; K542-H562 WeakPolarHBondContact CE-CD2 3.36Å; K542-H562 WeakPolarHBondContact CE-NE2 3.34Å; K542-H562 PolarHBondContact NZ-CD2 2.74Å; K542-H562 PolarHBondContact NZ-CE1 2.83Å; K542-H562 PolarHBondContact NZ-ND1 2.59Å; K542-H562 PolarHBondContact NZ-NE2 2.79Å; K542-L563 WeakPolarHBondContact CD-O 3.48Å
543	G	96.8	Very high	83.5	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.3	-164.8	-166.7	0	0	0	0	0	113.1	V531 T533 C561 H562	V531-G543 CarbonylContact O-C 3.37Å; V531-G543 WeakPolarHBondContact O-CA 3.4Å; T533-G543 VanDerWaalsContact OG1-CA 3.32Å; T533-G543 WeakPolarHBondContact OG1-CA 3.46Å; T533-G543 PolarHBondContact OG1-N 2.88Å; G543-C561 WeakPolarHBondContact O-CA 3.5Å; G543-C561 VanDerWaalsContact O-CB 3.26Å; G543-C561 WeakPolarHBondContact O-CB 3.49Å; G543-H562 PolarHBondContact N-O 2.88Å; G543-H562 PolarHBondContact O-N 2.99Å
544	A	98.6	Very high	83.7	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	156.7	172.6	0	0	0	0	0	112	L506 S530 V531 V559 N560 C561 I580	L506-A544 WeakPolarHBondContact CD2-O 3.45Å; S530-A544 CarbonylContact C-O 3.58Å; S530-A544 WeakPolarHBondContact CA-O 3.23Å; S530-A544 VanDerWaalsContact CB-O 3.31Å; S530-A544 WeakPolarHBondContact CB-O 3.32Å; V531-A544 PolarHBondContact N-O 3.29Å; V531-A544 PolarHBondContact O-N 2.92Å; A544-V559 HydrophobicContact CB-CG1 4.09Å; A544-N560 CarbonylContact C-O 3.58Å; A544-N560 VanDerWaalsContact CA-O 3.28Å; A544-N560 WeakPolarHBondContact CA-O 3.35Å; A544-C561 HydrophobicContact CB-CB 3.69Å; A544-I580 HydrophobicContact CB-CB 4.35Å; A544-I580 HydrophobicContact CB-CD1 3.72Å; A544-I580 HydrophobicContact CB-CG1 3.73Å; A544-I580 HydrophobicContact CB-CG2 3.6Å
545	V	98.8	Very high	84.9	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	150.6	164.2	-67.2	0	0	0	0	108	Q504 L506 I509 V511 S529 N560	Q504-V545 HydrophobicContact CB-CB 4.26Å; Q504-V545 HydrophobicContact CG-CB 3.84Å; Q504-V545 HydrophobicContact CG-CG1 3.93Å; L506-V545 HydrophobicContact CB-CG1 3.38Å; I509-V545 HydrophobicContact CG2-CG2 3.99Å; V511-V545 HydrophobicContact CB-CG2 3.86Å; V511-V545 HydrophobicContact CG1-CB 4.01Å; V511-V545 HydrophobicContact CG1-CG2 3.59Å; S529-V545 CarbonylContact O-C 3.58Å; S529-V545 WeakPolarHBondContact O-CA 3.25Å; V545-N560 HydrophobicContact CG2-CB 3.97Å; V545-N560 PolarHBondContact N-O 2.78Å; V545-N560 PolarHBondContact O-N 2.86Å
546	G	98.6	Very high	86.6	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	164.7	175.3	0	0	0	0	0	114.1	T528 S529 F558	T528-G546 WeakPolarHBondContact CA-O 3.2Å; S529-G546 PolarHBondContact N-O 2.81Å; S529-G546 VanDerWaalsContact N-O 3.09Å; S529-G546 PolarHBondContact O-N 3.09Å; G546-F558 CarbonylContact C-O 3.58Å; G546-F558 WeakPolarHBondContact CA-O 3.04Å
547	V	98.8	Very high	88.3	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	139.4	-178.5	174.3	0	0	0	0	107.6	A502 V511 V513 S527 T528 F549 F558	A502-V547 HydrophobicContact CB-CB 4.49Å; A502-V547 HydrophobicContact CB-CG1 3.7Å; A502-V547 HydrophobicContact CB-CG2 3.91Å; V511-V547 HydrophobicContact CG1-CG2 3.81Å; V513-V547 HydrophobicContact CB-CG1 4.48Å; V513-V547 HydrophobicContact CG2-CB 3.96Å; V513-V547 HydrophobicContact CG2-CG1 3.76Å; V513-V547 HydrophobicContact CG2-CG2 4.17Å; S527-V547 CarbonylContact O-C 3.5Å; S527-V547 WeakPolarHBondContact O-CA 3.42Å; T528-V547 HydrophobicContact CG2-CG2 4.08Å; V547-F549 HydrophobicContact CG1-CD1 4.08Å; V547-F549 HydrophobicContact CG1-CE1 4.42Å; V547-F558 PolarHBondContact N-O 2.83Å; V547-F558 PolarHBondContact O-N 2.81Å
548	S	98.6	Very high	90.3	Very high	1 Å²	1	21 Å²	21	1%	0.007	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	151.4	168.5	59.1	0	0	0	0	111.1	V526 S527 F556 G587	V526-S548 CarbonylContact C-O 3.56Å; V526-S548 WeakPolarHBondContact CA-O 3.48Å; S527-S548 PolarHBondContact N-O 3.4Å; S527-S548 PolarHBondContact O-N 2.95Å; S548-F556 CarbonylContact C-O 3.6Å; S548-F556 WeakPolarHBondContact CA-O 3.2Å; S548-F556 VanDerWaalsContact CB-O 3.23Å; S548-F556 WeakPolarHBondContact CB-O 3.33Å; S548-G587 PolarHBondContact OG-N 2.96Å
549	F	97.9	Very high	92.5	Very high	5 Å²	5	16.4 Å²	16.4	2%	0.022	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	167.5	174.9	53.6	-91	0	0	0	110	I467 I501 V513 I523 S524 V526 V547 F551 F556 F558	I467-F549 HydrophobicContact CD1-CE2 3.99Å; I467-F549 HydrophobicContact CD1-CZ 3.95Å; I467-F549 HydrophobicContact CG2-CZ 4.47Å; I501-F549 HydrophobicContact CG2-CD1 4.24Å; V513-F549 HydrophobicContact CG1-CE1 3.8Å; V513-F549 HydrophobicContact CG1-CZ 4.23Å; I523-F549 HydrophobicContact CD1-CD2 3.89Å; I523-F549 HydrophobicContact CD1-CE2 3.88Å; I523-F549 HydrophobicContact CG2-CB 3.91Å; I523-F549 HydrophobicContact CG2-CD2 3.99Å; I523-F549 HydrophobicContact CG2-CG 4.02Å; S524-F549 WeakPolarHBondContact O-CB 3.48Å; V526-F549 HydrophobicContact CG2-CB 4.08Å; V547-F549 HydrophobicContact CG1-CD1 4.08Å; V547-F549 HydrophobicContact CG1-CE1 4.42Å; F549-F551 HydrophobicContact CE2-CB 4.43Å; F549-F556 HydrophobicContact CD2-CB 4.48Å; F549-F556 HydrophobicContact CE2-CB 4.12Å; F549-F556 HydrophobicContact CE2-CD2 4.3Å; F549-F556 HydrophobicContact CE2-CG 4.35Å; F549-F556 HydrophobicContact CZ-CB 4.19Å; F549-F556 PolarHBondContact N-O 3.46Å; F549-F556 PolarHBondContact O-N 2.93Å; F549-F558 AromaticContact CE1-CD2 3.93Å; F549-F558 HydrophobicContact CE1-CD2 3.93Å; F549-F558 AromaticContact CE1-CE2 3.53Å; F549-F558 HydrophobicContact CE1-CE2 3.53Å; F549-F558 HydrophobicContact CZ-CD2 4.43Å; F549-F558 AromaticContact CZ-CE2 3.57Å; F549-F558 HydrophobicContact CZ-CE2 3.57Å; F549-F558 HydrophobicContact CZ-CZ 4.37Å
550	M	94.8	Very high	94.5	Very high	42 Å²	42	10.6 Å²	10.6	21%	0.207	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	131.2	163.5	-64.9	-174	73.6	0	0	109.7	I523 S524 H525 T554	I523-M550 WeakPolarHBondContact CA-O 3.26Å; S524-M550 PolarHBondContact N-O 2.95Å; S524-M550 PolarHBondContact O-N 2.96Å; H525-M550 HydrophobicContact CB-CG 4.29Å; M550-T554 CarbonylContact C-O 3.6Å; M550-T554 WeakPolarHBondContact CA-O 3.3Å
551	F	95.3	Very high	96.2	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	108.9	160.7	-173.1	-70.1	0	0	0	106.2	P422 I425 I467 H519 R522 I523 F549 G553 T554 F556 V730	P422-F551 HydrophobicContact CG-CE1 4.04Å; P422-F551 HydrophobicContact CG-CZ 4.21Å; I425-F551 HydrophobicContact CD1-CD2 4.02Å; I425-F551 HydrophobicContact CD1-CE2 4.18Å; I425-F551 HydrophobicContact CD1-CG 4.24Å; I425-F551 HydrophobicContact CG2-CE1 4.02Å; I425-F551 HydrophobicContact CG2-CE2 4.11Å; I425-F551 HydrophobicContact CG2-CZ 3.66Å; I467-F551 HydrophobicContact CD1-CD2 4.1Å; H519-F551 HydrophobicContact CB-CE2 3.65Å; H519-F551 HydrophobicContact CB-CZ 4.02Å; H519-F551 AromaticContact CE1-CZ 3.99Å; H519-F551 AromaticContact CG-CE2 3.75Å; H519-F551 AromaticContact CG-CZ 3.83Å; H519-F551 AromaticContact ND1-CZ 3.86Å; R522-F551 HydrophobicContact CB-CE1 4.38Å; R522-F551 HydrophobicContact CB-CE2 4.48Å; R522-F551 HydrophobicContact CB-CZ 4.3Å; I523-F551 HydrophobicContact CD1-CB 4.27Å; I523-F551 HydrophobicContact CD1-CD2 3.56Å; I523-F551 HydrophobicContact CD1-CE2 4.32Å; I523-F551 HydrophobicContact CD1-CG 4.26Å; F549-F551 HydrophobicContact CE2-CB 4.43Å; F551-G553 PolarHBondContact O-N 2.88Å; F551-T554 PolarHBondContact N-O 3.17Å; F551-T554 PolarHBondContact O-N 2.86Å; F551-F556 HydrophobicContact CB-CD2 4.06Å; F551-F556 HydrophobicContact CB-CE2 3.85Å; F551-V730 HydrophobicContact CD1-CB 4.27Å; F551-V730 HydrophobicContact CD1-CG1 4.19Å; F551-V730 HydrophobicContact CD1-CG2 4.3Å; F551-V730 HydrophobicContact CE1-CG2 4.15Å
552	N	91	Very high	96.8	Very high	6 Å²	6	6.2 Å²	6.2	3%	0.032	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	-121.5	-169.6	-68.9	-23.6	0	0	0	112	E421 R522 T731 Q733	E421-N552 PolarHBondContact OE2-ND2 2.76Å; R522-N552 WeakPolarHBondContact CB-OD1 3.47Å; R522-N552 PolarHBondContact O-N 2.85Å; N552-T731 WeakPolarHBondContact CB-O 3.28Å; N552-Q733 HydrophobicContact CB-CG 3.7Å; N552-Q733 PolarHBondContact OD1-NE2 2.86Å
553	G	85.1	Confident	96.9	Very high	30 Å²	30	5.3 Å²	5.3	31%	0.309	4%	0.036	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	3.8	178.3	0	0	0	0	0	115	F551 T731	F551-G553 PolarHBondContact O-N 2.88Å; G553-T731 VanDerWaalsContact CA-OG1 3.26Å; G553-T731 WeakPolarHBondContact CA-OG1 3.4Å; G553-T731 PolarHBondContact N-O 2.95Å; G553-T731 PolarHBondContact O-OG1 2.97Å
554	T	95.5	Very high	96.9	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.012	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127	-172.9	-54.3	0	0	0	0	110.9	M550 F551 F556 T601 V730 T731	M550-T554 CarbonylContact C-O 3.6Å; M550-T554 WeakPolarHBondContact CA-O 3.3Å; F551-T554 PolarHBondContact N-O 3.17Å; F551-T554 PolarHBondContact O-N 2.86Å; T554-F556 HydrophobicContact CG2-CD2 4.27Å; T554-F556 HydrophobicContact CG2-CE2 3.6Å; T554-F556 HydrophobicContact CG2-CZ 4.09Å; T554-T601 HydrophobicContact CG2-CG2 3.97Å; T554-V730 HydrophobicContact CG2-CG1 4.15Å; T554-V730 WeakPolarHBondContact OG1-CA 3.43Å; T554-T731 PolarHBondContact N-OG1 2.84Å; T554-T731 PolarHBondContact OG1-N 2.76Å; T554-T731 PolarHBondContact OG1-OG1 2.75Å
555	S	96.8	Very high	96.6	Very high	21 Å²	21	9.1 Å²	9.1	15%	0.147	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132.2	-178.1	61.8	0	0	0	0	112.6	F600 T601 H602	S555-F600 WeakPolarHBondContact OG-CA 3.4Å; S555-T601 PolarHBondContact N-OG1 3.46Å; S555-T601 VanDerWaalsContact N-OG1 3.16Å; S555-T601 WeakPolarHBondContact O-CB 3.3Å; S555-T601 PolarHBondContact O-N 2.87Å; S555-T601 PolarHBondContact OG-N 2.95Å; S555-T601 PolarHBondContact OG-OG1 3.38Å; S555-H602 PolarHBondContact O-N 3.12Å; S555-H602 VanDerWaalsContact O-N 3.09Å
556	F	98.7	Very high	96.1	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138.2	-178.4	-73.8	-95.6	0	0	0	111	I425 V427 S548 F549 F551 T554 F558 H602 F604 V728 V730	I425-F556 HydrophobicContact CD1-CE2 4.35Å; I425-F556 HydrophobicContact CD1-CZ 3.91Å; V427-F556 HydrophobicContact CG2-CE1 4.32Å; S548-F556 CarbonylContact C-O 3.6Å; S548-F556 WeakPolarHBondContact CA-O 3.2Å; S548-F556 VanDerWaalsContact CB-O 3.23Å; S548-F556 WeakPolarHBondContact CB-O 3.33Å; F549-F556 HydrophobicContact CD2-CB 4.48Å; F549-F556 HydrophobicContact CE2-CB 4.12Å; F549-F556 HydrophobicContact CE2-CD2 4.3Å; F549-F556 HydrophobicContact CE2-CG 4.35Å; F549-F556 HydrophobicContact CZ-CB 4.19Å; F549-F556 PolarHBondContact N-O 3.46Å; F549-F556 PolarHBondContact O-N 2.93Å; F551-F556 HydrophobicContact CB-CD2 4.06Å; F551-F556 HydrophobicContact CB-CE2 3.85Å; T554-F556 HydrophobicContact CG2-CD2 4.27Å; T554-F556 HydrophobicContact CG2-CE2 3.6Å; T554-F556 HydrophobicContact CG2-CZ 4.09Å; F556-F558 HydrophobicContact CB-CE2 3.67Å; F556-F558 HydrophobicContact CB-CZ 4.15Å; F556-F558 HydrophobicContact CD1-CE2 4.27Å; F556-F558 AromaticContact CD1-CZ 3.87Å; F556-F558 HydrophobicContact CD1-CZ 3.87Å; F556-F558 HydrophobicContact CG-CE2 4.34Å; F556-F558 HydrophobicContact CG-CZ 4.39Å; F556-H602 WeakPolarHBondContact CA-O 3.39Å; F556-H602 HydrophobicContact CD1-CB 4.07Å; F556-H602 HydrophobicContact CE1-CB 4.1Å; F556-F604 HydrophobicContact CD1-CE2 4.13Å; F556-F604 HydrophobicContact CE1-CE2 4.3Å; F556-V728 HydrophobicContact CE1-CB 4.48Å; F556-V728 HydrophobicContact CE1-CG1 3.92Å; F556-V728 HydrophobicContact CZ-CB 4.45Å; F556-V728 HydrophobicContact CZ-CG1 3.81Å; F556-V730 HydrophobicContact CE2-CG1 3.95Å; F556-V730 HydrophobicContact CZ-CG1 3.89Å
557	G	98.6	Very high	95.5	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138.7	169.5	0	0	0	0	0	111.2	H602 L603 F604	G557-H602 PolarHBondContact N-O 2.92Å; G557-L603 WeakPolarHBondContact O-CA 3.38Å; G557-F604 PolarHBondContact O-N 3.04Å
558	F	98.9	Very high	95.1	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	122.5	179.6	-61.1	-82.9	0	0	0	109.7	V427 I429 V469 G546 V547 F549 F556 F604 F606	V427-F558 HydrophobicContact CG1-CE1 3.98Å; V427-F558 HydrophobicContact CG1-CZ 4.09Å; I429-F558 HydrophobicContact CD1-CD1 4.13Å; I429-F558 HydrophobicContact CD1-CE1 4Å; I429-F558 HydrophobicContact CG1-CE1 4.45Å; V469-F558 HydrophobicContact CB-CD1 4.27Å; V469-F558 HydrophobicContact CG1-CB 4.17Å; V469-F558 HydrophobicContact CG1-CD1 4Å; V469-F558 HydrophobicContact CG1-CG 4.13Å; V469-F558 HydrophobicContact CG2-CD1 3.77Å; V469-F558 HydrophobicContact CG2-CD2 4.41Å; V469-F558 HydrophobicContact CG2-CE1 3.67Å; V469-F558 HydrophobicContact CG2-CE2 4.31Å; V469-F558 HydrophobicContact CG2-CG 4.15Å; V469-F558 HydrophobicContact CG2-CZ 3.95Å; G546-F558 CarbonylContact C-O 3.58Å; G546-F558 WeakPolarHBondContact CA-O 3.04Å; V547-F558 PolarHBondContact N-O 2.83Å; V547-F558 PolarHBondContact O-N 2.81Å; F549-F558 AromaticContact CE1-CD2 3.93Å; F549-F558 HydrophobicContact CE1-CD2 3.93Å; F549-F558 AromaticContact CE1-CE2 3.53Å; F549-F558 HydrophobicContact CE1-CE2 3.53Å; F549-F558 HydrophobicContact CZ-CD2 4.43Å; F549-F558 AromaticContact CZ-CE2 3.57Å; F549-F558 HydrophobicContact CZ-CE2 3.57Å; F549-F558 HydrophobicContact CZ-CZ 4.37Å; F556-F558 HydrophobicContact CB-CE2 3.67Å; F556-F558 HydrophobicContact CB-CZ 4.15Å; F556-F558 HydrophobicContact CD1-CE2 4.27Å; F556-F558 AromaticContact CD1-CZ 3.87Å; F556-F558 HydrophobicContact CD1-CZ 3.87Å; F556-F558 HydrophobicContact CG-CE2 4.34Å; F556-F558 HydrophobicContact CG-CZ 4.39Å; F558-F604 CarbonylContact C-O 3.59Å; F558-F604 WeakPolarHBondContact CA-O 3.26Å; F558-F604 HydrophobicContact CD1-CB 3.86Å; F558-F604 AromaticContact CD1-CD2 3.87Å; F558-F604 HydrophobicContact CD1-CD2 3.87Å; F558-F604 HydrophobicContact CD1-CG 4.18Å; F558-F604 HydrophobicContact CE1-CB 4.21Å; F558-F604 AromaticContact CE1-CD2 3.38Å; F558-F604 HydrophobicContact CE1-CD2 3.38Å; F558-F604 AromaticContact CE1-CE2 3.99Å; F558-F604 HydrophobicContact CE1-CE2 3.99Å; F558-F604 HydrophobicContact CE1-CG 4.01Å; F558-F604 HydrophobicContact CZ-CD2 4.06Å; F558-F604 HydrophobicContact CZ-CE2 4.37Å; F558-F606 HydrophobicContact CB-CE1 3.98Å; F558-F606 HydrophobicContact CB-CZ 4.13Å; F558-F606 HydrophobicContact CD1-CE1 4.17Å
559	V	98.9	Very high	94.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	117.8	-179.5	-176.3	0	0	0	0	109.5	A544 I580 L584 L586 I596 L603 F604 W605 F606	A544-V559 HydrophobicContact CB-CG1 4.09Å; V559-I580 HydrophobicContact CG1-CG2 4.13Å; V559-L584 HydrophobicContact CB-CD2 4.31Å; V559-L584 HydrophobicContact CG1-CD2 3.8Å; V559-L584 HydrophobicContact CG2-CD2 3.56Å; V559-L586 HydrophobicContact CG2-CD1 4.39Å; V559-I596 HydrophobicContact CG2-CD1 4.05Å; V559-L603 HydrophobicContact CG2-CD1 3.99Å; V559-F604 PolarHBondContact N-O 2.87Å; V559-W605 HydrophobicContact CB-CB 4.42Å; V559-W605 HydrophobicContact CB-CD2 4.08Å; V559-W605 HydrophobicContact CB-CG 3.97Å; V559-W605 HydrophobicContact CG1-CD2 3.97Å; V559-W605 HydrophobicContact CG1-CG 4.17Å; V559-W605 HydrophobicContact CG1-CZ2 4.32Å; V559-W605 WeakPolarHBondContact O-CA 3.03Å; V559-F606 WeakPolarHBondContact O-CD1 3.35Å; V559-F606 PolarHBondContact O-N 2.85Å; V559-F606 VanDerWaalsContact O-O 3.09Å
560	N	98.9	Very high	94.8	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.4	168.9	173.8	27	0	0	0	109.4	G471 T472 Q473 K510 V511 A544 V545 F606	G471-N560 WeakPolarHBondContact CA-ND2 3.37Å; T472-N560 PolarHBondContact N-ND2 3.34Å; T472-N560 VanDerWaalsContact N-ND2 3.17Å; T472-N560 PolarHBondContact O-ND2 3.16Å; Q473-N560 PolarHBondContact NE2-OD1 3.19Å; K510-N560 PolarHBondContact O-ND2 3.43Å; V511-N560 HydrophobicContact CB-CB 4.05Å; V511-N560 HydrophobicContact CG2-CB 4.44Å; A544-N560 CarbonylContact C-O 3.58Å; A544-N560 VanDerWaalsContact CA-O 3.28Å; A544-N560 WeakPolarHBondContact CA-O 3.35Å; V545-N560 HydrophobicContact CG2-CB 3.97Å; V545-N560 PolarHBondContact N-O 2.78Å; V545-N560 PolarHBondContact O-N 2.86Å; N560-F606 CarbonylContact C-O 3.56Å; N560-F606 VanDerWaalsContact CA-O 3.31Å; N560-F606 WeakPolarHBondContact CA-O 3.33Å; N560-F606 HydrophobicContact CB-CD2 4.11Å; N560-F606 HydrophobicContact CB-CE2 3.7Å; N560-F606 HydrophobicContact CB-CZ 4.3Å
561	C	98.7	Very high	94.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	165.4	175.1	68.2	0	0	0	0	115.2	Q473 G543 A544 L563 I580 W605 F606 G607 D608 L609	Q473-C561 WeakPolarHBondContact CG-O 3.3Å; G543-C561 WeakPolarHBondContact O-CA 3.5Å; G543-C561 VanDerWaalsContact O-CB 3.26Å; G543-C561 WeakPolarHBondContact O-CB 3.49Å; A544-C561 HydrophobicContact CB-CB 3.69Å; C561-L563 HydrophobicContact CB-CD2 4.01Å; C561-I580 HydrophobicContact CB-CD1 3.96Å; C561-W605 PolarHBondContact SG-NE1 2.86Å; C561-F606 PolarHBondContact N-O 3.09Å; C561-G607 VanDerWaalsContact O-CA 3.27Å; C561-G607 WeakPolarHBondContact O-CA 3.48Å; C561-D608 PolarHBondContact O-N 3.03Å; C561-L609 WeakPolarHBondContact SG-CD2 3.4Å
562	H	98.5	Very high	94.9	Very high	5 Å²	5	28.1 Å²	28.1	2%	0.023	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	103.7	165.7	-169.3	161.7	0	0	0	107.3	Q473 E474 I509 K542 G543 D608 N610	Q473-H562 HydrophobicContact CB-CB 4.11Å; Q473-H562 HydrophobicContact CG-CB 3.93Å; E474-H562 IonicContact OE1-CE1 2.68Å; E474-H562 PolarHBondContact OE1-CE1 3.45Å; E474-H562 IonicContact OE1-ND1 2.79Å; I509-H562 HydrophobicContact CD1-CB 3.69Å; I509-H562 HydrophobicContact CG1-CB 3.92Å; K542-H562 WeakPolarHBondContact CA-O 3.37Å; K542-H562 HydrophobicContact CD-CB 4.34Å; K542-H562 VanDerWaalsContact CD-O 3.3Å; K542-H562 WeakPolarHBondContact CD-O 3.22Å; K542-H562 WeakPolarHBondContact CE-CD2 3.36Å; K542-H562 WeakPolarHBondContact CE-NE2 3.34Å; K542-H562 PolarHBondContact NZ-CD2 2.74Å; K542-H562 PolarHBondContact NZ-CE1 2.83Å; K542-H562 PolarHBondContact NZ-ND1 2.59Å; K542-H562 PolarHBondContact NZ-NE2 2.79Å; G543-H562 PolarHBondContact N-O 2.88Å; G543-H562 PolarHBondContact O-N 2.99Å; H562-D608 WeakPolarHBondContact CA-O 3.46Å; H562-D608 IonicContact CD2-OD2 3.11Å; H562-D608 IonicContact CE1-OD2 2.7Å; H562-D608 IonicContact NE2-OD2 2.72Å; H562-D608 PolarHBondContact NE2-OD2 3.24Å; H562-N610 PolarHBondContact NE2-ND2 3.03Å
563	L	97.7	Very high	95.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-88.3	166.2	-176.4	-52.9	-173.9	0	0	0	112.2	K542 C561 S565 R573 N576 I580 D608 L609 Y611	K542-L563 WeakPolarHBondContact CD-O 3.48Å; C561-L563 HydrophobicContact CB-CD2 4.01Å; L563-S565 PolarHBondContact O-N 2.91Å; L563-R573 HydrophobicContact CB-CG 4.07Å; L563-R573 HydrophobicContact CD1-CB 4.44Å; L563-N576 HydrophobicContact CD2-CB 3.82Å; L563-I580 HydrophobicContact CD2-CD1 3.61Å; L563-D608 PolarHBondContact N-O 2.8Å; L563-L609 HydrophobicContact CD1-CB 4.15Å; L563-L609 HydrophobicContact CD1-CD2 4.07Å; L563-L609 HydrophobicContact CG-CD2 4.34Å; L563-Y611 HydrophobicContact CD1-CE2 4.14Å
564	T	95.8	Very high	95.8	Very high	21 Å²	21	27 Å²	27	13%	0.129	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-57.7	121.8	-175.9	-66.9	0	0	0	0	112.8	K569 R572 R573 N576	T564-K569 HydrophobicContact CG2-CB 3.86Å; T564-K569 HydrophobicContact CG2-CD 3.54Å; T564-K569 HydrophobicContact CG2-CG 4.32Å; T564-R572 HydrophobicContact CG2-CB 4.25Å; T564-R572 HydrophobicContact CG2-CG 3.87Å; T564-R572 WeakPolarHBondContact OG1-CG 3.26Å; T564-R573 WeakPolarHBondContact O-CG 3.26Å; T564-R573 PolarHBondContact O-NH1 2.91Å; T564-N576 WeakPolarHBondContact CB-OD1 3.48Å; T564-N576 PolarHBondContact N-OD1 3.06Å; T564-N576 VanDerWaalsContact N-OD1 3.07Å; T564-N576 PolarHBondContact OG1-OD1 2.86Å
565	S	92.1	Very high	95.8	Very high	58 Å²	58	30.6 Å²	30.6	41%	0.406	16%	0.159	S	C	.	.	P	Polyproline II helix	trans	-79.7	140.4	-177	60.2	0	0	0	0	114.1	L563 N610	L563-S565 PolarHBondContact O-N 2.91Å; S565-N610 WeakPolarHBondContact CA-OD1 3.35Å; S565-N610 VanDerWaalsContact CB-CG 3.48Å; S565-N610 WeakPolarHBondContact CB-OD1 3.43Å
566	G	88.1	Confident	95.8	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.01	15%	0.152	C	C	.	.	S	Bend	trans	124.7	139.4	168.7	0	0	0	0	0	114.7	E568 K569 R573	G566-E568 VanDerWaalsContact C-N 3.28Å; G566-E568 PolarHBondContact O-N 2.98Å; G566-K569 PolarHBondContact O-N 2.86Å; G566-R573 PolarHBondContact O-NH1 2.86Å; G566-R573 PolarHBondContact O-NH2 2.59Å
567	N	87.2	Confident	95.8	Very high	35 Å²	35	29.7 Å²	29.7	19%	0.187	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-50.3	-44.9	-175.6	-64.6	55	0	0	0	112.9	K569 T570 R573 R612 L613 Q637	N567-K569 PolarHBondContact O-N 2.97Å; N567-T570 PolarHBondContact O-OG1 2.9Å; N567-R573 PolarHBondContact O-NH2 3.38Å; N567-R612 HydrophobicContact CB-CB 4.33Å; N567-R612 HydrophobicContact CB-CG 4.32Å; N567-R612 PolarHBondContact OD1-NH1 2.85Å; N567-R612 VanDerWaalsContact OD1-NH1 3.12Å; N567-L613 PolarHBondContact ND2-O 3.01Å; N567-Q637 PolarHBondContact O-NE2 3.38Å
568	E	90	Very high	95.7	Very high	110 Å²	110	30.8 Å²	30.8	51%	0.514	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-71.7	-3	-178.9	76.8	-71.6	-179.2	0	0	115.3	G566 R683	G566-E568 VanDerWaalsContact C-N 3.28Å; G566-E568 PolarHBondContact O-N 2.98Å; E568-R683 IonicContact OE1-CZ 3.99Å; E568-R683 IonicContact OE1-NH1 2.65Å; E568-R683 PolarHBondContact OE1-NH1 3.46Å; E568-R683 IonicContact OE1-NH2 3.62Å; E568-R683 PolarHBondContact OE1-NH2 2.8Å; E568-R683 IonicContact OE2-CZ 2.69Å; E568-R683 IonicContact OE2-NH1 2.98Å; E568-R683 PolarHBondContact OE2-NH1 3.1Å; E568-R683 IonicContact OE2-NH2 2.74Å; E568-R683 PolarHBondContact OE2-NH2 2.74Å
569	K	93.9	Very high	95.5	Very high	89 Å²	89	31.6 Å²	31.6	39%	0.387	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-109.4	21.9	-167.1	-55.3	-158.7	179.6	-170.6	0	115.6	T564 G566 N567 T571 R572 R573	T564-K569 HydrophobicContact CG2-CB 3.86Å; T564-K569 HydrophobicContact CG2-CD 3.54Å; T564-K569 HydrophobicContact CG2-CG 4.32Å; G566-K569 PolarHBondContact O-N 2.86Å; N567-K569 PolarHBondContact O-N 2.97Å; K569-T571 PolarHBondContact O-N 2.77Å; K569-R572 PolarHBondContact O-N 3.12Å; K569-R573 PolarHBondContact O-N 2.81Å
570	T	96.8	Very high	95.4	Very high	21 Å²	21	31.6 Å²	31.6	13%	0.129	16%	0.163	C	C	.	.	H	α-helix	trans	-50.8	-52.4	179.9	-51.4	0	0	0	0	112.4	N567 R572 R573 N574 Y611 Q637 E641	N567-T570 PolarHBondContact O-OG1 2.9Å; T570-R572 PolarHBondContact O-N 3.1Å; T570-R572 VanDerWaalsContact O-N 3.17Å; T570-R573 WeakPolarHBondContact O-CA 3.42Å; T570-R573 WeakPolarHBondContact O-CB 3.39Å; T570-R573 PolarHBondContact O-N 3.01Å; T570-R573 PolarHBondContact OG1-NH2 2.65Å; T570-N574 PolarHBondContact O-N 3.08Å; T570-N574 PolarHBondContact O-OD1 2.89Å; T570-N574 VanDerWaalsContact O-OD1 3.05Å; T570-Y611 HydrophobicContact CG2-CD1 4.34Å; T570-Y611 HydrophobicContact CG2-CE1 4.02Å; T570-Q637 HydrophobicContact CG2-CB 4.38Å; T570-Q637 VanDerWaalsContact OG1-CD 3.24Å; T570-Q637 PolarHBondContact OG1-NE2 2.95Å; T570-Q637 PolarHBondContact OG1-OE1 3.34Å; T570-Q637 VanDerWaalsContact OG1-OE1 3.13Å; T570-E641 HydrophobicContact CG2-CG 3.56Å
571	T	96.1	Very high	95.3	Very high	112 Å²	112	31.7 Å²	31.7	69%	0.687	16%	0.164	S	C	*	.	H	α-helix	trans	-57.8	-33.7	178.2	-42.4	0	0	0	0	113.1	K569 N574 Q575	K569-T571 PolarHBondContact O-N 2.77Å; T571-N574 PolarHBondContact O-N 2.87Å; T571-Q575 PolarHBondContact O-N 3.33Å
572	R	95.3	Very high	95	Very high	79 Å²	79	36.4 Å²	36.4	30%	0.298	18%	0.181	S	C	.	.	H	α-helix	trans	-75.9	-31.3	176.3	-175.1	61	-177	168.2	8	112.2	T533 G534 N537 T564 K569 T570 Q575 N576	T533-R572 PolarHBondContact O-NH2 3.31Å; G534-R572 PolarHBondContact O-NH2 3Å; N537-R572 PolarHBondContact OD1-NH2 3.34Å; T564-R572 HydrophobicContact CG2-CB 4.25Å; T564-R572 HydrophobicContact CG2-CG 3.87Å; T564-R572 WeakPolarHBondContact OG1-CG 3.26Å; K569-R572 PolarHBondContact O-N 3.12Å; T570-R572 PolarHBondContact O-N 3.1Å; T570-R572 VanDerWaalsContact O-N 3.17Å; R572-Q575 PolarHBondContact O-N 2.81Å; R572-N576 PolarHBondContact NE-ND2 2.85Å; R572-N576 WeakPolarHBondContact O-CB 3.47Å; R572-N576 PolarHBondContact O-N 2.82Å; R572-N576 PolarHBondContact O-ND2 2.88Å; R572-N576 PolarHBondContact O-OD1 2.81Å
573	R	97.8	Very high	94.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-43.1	168.3	-70.1	-177.2	-81.5	-78	8.3	111.3	L563 T564 G566 N567 K569 T570 Q575 N576 Y577 L609 N610 Y611	L563-R573 HydrophobicContact CB-CG 4.07Å; L563-R573 HydrophobicContact CD1-CB 4.44Å; T564-R573 WeakPolarHBondContact O-CG 3.26Å; T564-R573 PolarHBondContact O-NH1 2.91Å; G566-R573 PolarHBondContact O-NH1 2.86Å; G566-R573 PolarHBondContact O-NH2 2.59Å; N567-R573 PolarHBondContact O-NH2 3.38Å; K569-R573 PolarHBondContact O-N 2.81Å; T570-R573 WeakPolarHBondContact O-CA 3.42Å; T570-R573 WeakPolarHBondContact O-CB 3.39Å; T570-R573 PolarHBondContact O-N 3.01Å; T570-R573 PolarHBondContact OG1-NH2 2.65Å; R573-Q575 PolarHBondContact O-N 3.17Å; R573-N576 WeakPolarHBondContact O-CB 3.47Å; R573-N576 PolarHBondContact O-N 2.94Å; R573-N576 VanDerWaalsContact O-N 3.14Å; R573-Y577 PolarHBondContact O-N 3.38Å; R573-L609 WeakPolarHBondContact CD-O 3.34Å; R573-N610 PolarHBondContact NH1-O 3.22Å; R573-Y611 HydrophobicContact CB-CE1 3.93Å; R573-Y611 HydrophobicContact CB-CE2 3.92Å; R573-Y611 WeakPolarHBondContact CB-OH 3.42Å; R573-Y611 HydrophobicContact CG-CE2 4.49Å
574	N	97.6	Very high	94.6	Very high	14 Å²	14	41.4 Å²	41.4	8%	0.075	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-46.7	175.7	-57.2	3.1	0	0	0	111	T570 T571 N576 Y577 L578 Y611 E641 V647	T570-N574 PolarHBondContact O-N 3.08Å; T570-N574 PolarHBondContact O-OD1 2.89Å; T570-N574 VanDerWaalsContact O-OD1 3.05Å; T571-N574 PolarHBondContact O-N 2.87Å; N574-N576 PolarHBondContact O-N 2.93Å; N574-Y577 WeakPolarHBondContact O-CB 3.36Å; N574-Y577 PolarHBondContact O-N 3.14Å; N574-L578 PolarHBondContact O-N 3.08Å; N574-Y611 PolarHBondContact N-OH 3.35Å; N574-Y611 PolarHBondContact OD1-OH 2.92Å; N574-E641 PolarHBondContact ND2-OE2 2.9Å; N574-V647 HydrophobicContact CB-CG1 3.51Å; N574-V647 WeakPolarHBondContact OD1-CG1 3.31Å
575	Q	95.8	Very high	94.5	Very high	76 Å²	76	44.2 Å²	44.2	36%	0.355	23%	0.228	S	C	.	.	H	α-helix	trans	-61.9	-41.2	173.8	-170.8	61.6	49.1	0	0	112.2	T571 R572 R573 Y577 L578 D579	T571-Q575 PolarHBondContact O-N 3.33Å; R572-Q575 PolarHBondContact O-N 2.81Å; R573-Q575 PolarHBondContact O-N 3.17Å; Q575-Y577 VanDerWaalsContact C-N 3.32Å; Q575-Y577 PolarHBondContact O-N 3.32Å; Q575-L578 PolarHBondContact O-N 3.01Å; Q575-D579 PolarHBondContact NE2-OD1 3.37Å; Q575-D579 WeakPolarHBondContact O-CB 3.48Å; Q575-D579 PolarHBondContact O-N 3.16Å
576	N	96.5	Very high	94.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.1	-40	176	-66	161.7	0	0	0	111.9	T533 L563 T564 R572 R573 N574 D579 I580	T533-N576 WeakPolarHBondContact CB-ND2 3.49Å; T533-N576 HydrophobicContact CG2-CB 4.47Å; T533-N576 PolarHBondContact O-ND2 2.83Å; L563-N576 HydrophobicContact CD2-CB 3.82Å; T564-N576 WeakPolarHBondContact CB-OD1 3.48Å; T564-N576 PolarHBondContact N-OD1 3.06Å; T564-N576 VanDerWaalsContact N-OD1 3.07Å; T564-N576 PolarHBondContact OG1-OD1 2.86Å; R572-N576 PolarHBondContact NE-ND2 2.85Å; R572-N576 WeakPolarHBondContact O-CB 3.47Å; R572-N576 PolarHBondContact O-N 2.82Å; R572-N576 PolarHBondContact O-ND2 2.88Å; R572-N576 PolarHBondContact O-OD1 2.81Å; R573-N576 WeakPolarHBondContact O-CB 3.47Å; R573-N576 PolarHBondContact O-N 2.94Å; R573-N576 VanDerWaalsContact O-N 3.14Å; N574-N576 PolarHBondContact O-N 2.93Å; N576-D579 PolarHBondContact O-N 2.87Å; N576-I580 VanDerWaalsContact O-CD1 3.23Å; N576-I580 WeakPolarHBondContact O-CD1 3.33Å; N576-I580 WeakPolarHBondContact O-CG1 3.43Å; N576-I580 PolarHBondContact O-N 2.91Å
577	Y	98.3	Very high	94.7	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-59.8	-48.5	172.8	159.3	-95.5	0	0	0	111.4	R573 N574 Q575 I580 L581 W605 V647 F648	R573-Y577 PolarHBondContact O-N 3.38Å; N574-Y577 WeakPolarHBondContact O-CB 3.36Å; N574-Y577 PolarHBondContact O-N 3.14Å; Q575-Y577 VanDerWaalsContact C-N 3.32Å; Q575-Y577 PolarHBondContact O-N 3.32Å; Y577-I580 PolarHBondContact O-N 3.32Å; Y577-L581 HydrophobicContact CE1-CD2 4.14Å; Y577-L581 VanDerWaalsContact O-CB 3.27Å; Y577-L581 WeakPolarHBondContact O-CB 3.17Å; Y577-L581 PolarHBondContact O-N 3.11Å; Y577-W605 AromaticContact CD2-CH2 3.59Å; Y577-W605 HydrophobicContact CD2-CH2 3.59Å; Y577-W605 AromaticContact CD2-CZ2 3.84Å; Y577-W605 HydrophobicContact CD2-CZ2 3.84Å; Y577-W605 AromaticContact CD2-CZ3 4Å; Y577-W605 HydrophobicContact CD2-CZ3 4Å; Y577-W605 HydrophobicContact CE2-CE3 4.32Å; Y577-W605 AromaticContact CE2-CH2 3.87Å; Y577-W605 HydrophobicContact CE2-CH2 3.87Å; Y577-W605 HydrophobicContact CE2-CZ2 4.46Å; Y577-W605 AromaticContact CE2-CZ3 3.8Å; Y577-W605 HydrophobicContact CE2-CZ3 3.8Å; Y577-V647 HydrophobicContact CD1-CB 4.03Å; Y577-V647 HydrophobicContact CD1-CG1 3.94Å; Y577-V647 HydrophobicContact CE1-CB 4.35Å; Y577-V647 HydrophobicContact CG-CB 4.38Å; Y577-V647 HydrophobicContact CG-CG1 4.37Å; Y577-F648 AromaticContact CD2-CD1 3.99Å; Y577-F648 HydrophobicContact CD2-CD1 3.99Å; Y577-F648 HydrophobicContact CD2-CD2 4.07Å; Y577-F648 AromaticContact CD2-CE1 3.78Å; Y577-F648 HydrophobicContact CD2-CE1 3.78Å; Y577-F648 AromaticContact CD2-CE2 3.86Å; Y577-F648 HydrophobicContact CD2-CE2 3.86Å; Y577-F648 HydrophobicContact CD2-CG 4.13Å; Y577-F648 AromaticContact CD2-CZ 3.72Å; Y577-F648 HydrophobicContact CD2-CZ 3.72Å; Y577-F648 HydrophobicContact CE2-CB 4.49Å; Y577-F648 AromaticContact CE2-CD1 3.7Å; Y577-F648 HydrophobicContact CE2-CD1 3.7Å; Y577-F648 HydrophobicContact CE2-CD2 4.27Å; Y577-F648 AromaticContact CE2-CE1 3.91Å; Y577-F648 HydrophobicContact CE2-CE1 3.91Å; Y577-F648 HydrophobicContact CE2-CE2 4.46Å; Y577-F648 AromaticContact CE2-CG 3.9Å; Y577-F648 HydrophobicContact CE2-CG 3.9Å; Y577-F648 HydrophobicContact CE2-CZ 4.29Å; Y577-F648 HydrophobicContact CG-CE2 4.37Å; Y577-F648 PolarHBondContact OH-N 3.29Å
578	L	96.3	Very high	94.4	Very high	23 Å²	23	44.5 Å²	44.5	12%	0.12	23%	0.23	C	C	.	.	H	α-helix	trans	-63.6	-42	178	-66.2	175.5	0	0	0	112.3	N574 Q575 I580 L581 R582	N574-L578 PolarHBondContact O-N 3.08Å; Q575-L578 PolarHBondContact O-N 3.01Å; L578-I580 PolarHBondContact O-N 3.09Å; L578-L581 PolarHBondContact O-N 3.46Å; L578-R582 VanDerWaalsContact O-CB 3.31Å; L578-R582 WeakPolarHBondContact O-CB 3.28Å; L578-R582 VanDerWaalsContact O-CD 3.29Å; L578-R582 WeakPolarHBondContact O-CD 3.34Å; L578-R582 WeakPolarHBondContact O-CG 3.27Å; L578-R582 PolarHBondContact O-N 3.36Å
579	D	95.1	Very high	93.9	Very high	18 Å²	18	49.9 Å²	49.9	10%	0.096	25%	0.246	C	C	.	.	H	α-helix	trans	-59.2	-45.9	175.5	-68.5	-9	0	0	0	110.8	T533 N537 Q575 N576 L583	T533-D579 HydrophobicContact CG2-CB 3.9Å; N537-D579 PolarHBondContact ND2-OD2 2.94Å; Q575-D579 PolarHBondContact NE2-OD1 3.37Å; Q575-D579 WeakPolarHBondContact O-CB 3.48Å; Q575-D579 PolarHBondContact O-N 3.16Å; N576-D579 PolarHBondContact O-N 2.87Å; D579-L583 WeakPolarHBondContact O-CB 3.47Å; D579-L583 VanDerWaalsContact O-CG 3.22Å; D579-L583 WeakPolarHBondContact O-CG 3.31Å; D579-L583 PolarHBondContact O-N 2.78Å
580	I	97.6	Very high	93.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.8	-47.6	177.8	-65.3	156.2	0	0	0	110.7	V531 T533 A544 V559 C561 L563 N576 Y577 L578 R582 L583 L584 W605	V531-I580 HydrophobicContact CB-CG1 4.36Å; V531-I580 HydrophobicContact CG1-CG1 4.35Å; T533-I580 HydrophobicContact CG2-CD1 4.31Å; T533-I580 HydrophobicContact CG2-CG1 3.81Å; A544-I580 HydrophobicContact CB-CB 4.35Å; A544-I580 HydrophobicContact CB-CD1 3.72Å; A544-I580 HydrophobicContact CB-CG1 3.73Å; A544-I580 HydrophobicContact CB-CG2 3.6Å; V559-I580 HydrophobicContact CG1-CG2 4.13Å; C561-I580 HydrophobicContact CB-CD1 3.96Å; L563-I580 HydrophobicContact CD2-CD1 3.61Å; N576-I580 VanDerWaalsContact O-CD1 3.23Å; N576-I580 WeakPolarHBondContact O-CD1 3.33Å; N576-I580 WeakPolarHBondContact O-CG1 3.43Å; N576-I580 PolarHBondContact O-N 2.91Å; Y577-I580 PolarHBondContact O-N 3.32Å; L578-I580 PolarHBondContact O-N 3.09Å; I580-R582 VanDerWaalsContact C-N 3.27Å; I580-R582 PolarHBondContact O-N 2.88Å; I580-L583 PolarHBondContact O-N 3.02Å; I580-L584 HydrophobicContact CG2-CB 4.22Å; I580-L584 HydrophobicContact CG2-CD2 4.13Å; I580-L584 WeakPolarHBondContact O-CB 3.18Å; I580-L584 PolarHBondContact O-N 3.48Å; I580-W605 HydrophobicContact CB-CH2 3.83Å; I580-W605 HydrophobicContact CB-CZ2 3.73Å; I580-W605 HydrophobicContact CD1-CZ2 4.12Å; I580-W605 HydrophobicContact CG2-CH2 3.56Å; I580-W605 HydrophobicContact CG2-CZ2 3.43Å; I580-W605 VanDerWaalsContact CG2-CZ2 3.43Å
581	L	96.6	Very high	92.6	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-57	-41.4	-178.7	178	67.3	0	0	0	112.1	Y577 L578 D595 I596 W605	Y577-L581 HydrophobicContact CE1-CD2 4.14Å; Y577-L581 VanDerWaalsContact O-CB 3.27Å; Y577-L581 WeakPolarHBondContact O-CB 3.17Å; Y577-L581 PolarHBondContact O-N 3.11Å; L578-L581 PolarHBondContact O-N 3.46Å; L581-D595 HydrophobicContact CD1-CB 4.26Å; L581-D595 WeakPolarHBondContact CD1-OD1 3.41Å; L581-D595 HydrophobicContact CG-CB 4.28Å; L581-I596 HydrophobicContact CD1-CG1 3.77Å; L581-W605 HydrophobicContact CB-CH2 4.12Å; L581-W605 HydrophobicContact CB-CZ3 4.29Å; L581-W605 HydrophobicContact CD1-CZ3 4.2Å
582	R	91.6	Very high	91.6	Very high	98 Å²	98	51.1 Å²	51.1	37%	0.37	25%	0.254	S	S	.	.	H	α-helix	trans	-81.8	-29.7	-176.4	-65.2	164.4	-172.8	-160.4	-8.9	113.1	L578 I580 R860 E862	L578-R582 VanDerWaalsContact O-CB 3.31Å; L578-R582 WeakPolarHBondContact O-CB 3.28Å; L578-R582 VanDerWaalsContact O-CD 3.29Å; L578-R582 WeakPolarHBondContact O-CD 3.34Å; L578-R582 WeakPolarHBondContact O-CG 3.27Å; L578-R582 PolarHBondContact O-N 3.36Å; I580-R582 VanDerWaalsContact C-N 3.27Å; I580-R582 PolarHBondContact O-N 2.88Å; R582-R860 HydrophobicContact CG-CB 4.12Å; R582-R860 HydrophobicContact CG-CG 4.44Å; R582-R860 VanDerWaalsContact CZ-O 3.31Å; R582-R860 PolarHBondContact NE-O 3.05Å; R582-R860 PolarHBondContact NH2-O 3.5Å; R582-E862 IonicContact NH2-OE1 2.64Å; R582-E862 PolarHBondContact NH2-OE1 3.26Å
583	L	93.4	Very high	90.9	Very high	105 Å²	105	48.4 Å²	48.4	55%	0.55	25%	0.248	S	C	.	.	H	α-helix	trans	-109.8	-14.2	-170.2	-57.8	174.2	0	0	0	115.2	V531 D579 I580 S585	V531-L583 HydrophobicContact CG1-CB 4.05Å; V531-L583 HydrophobicContact CG1-CD1 4.21Å; V531-L583 HydrophobicContact CG2-CB 3.81Å; D579-L583 WeakPolarHBondContact O-CB 3.47Å; D579-L583 VanDerWaalsContact O-CG 3.22Å; D579-L583 WeakPolarHBondContact O-CG 3.31Å; D579-L583 PolarHBondContact O-N 2.78Å; I580-L583 PolarHBondContact O-N 3.02Å; L583-S585 PolarHBondContact O-N 3.19Å; L583-S585 VanDerWaalsContact O-N 3.12Å
584	L	95.1	Very high	90.7	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.026	25%	0.249	C	C	.	.			trans	-78.1	100.8	-175.8	-170	71.2	0	0	0	111	V531 V559 I580 L586 I596	V531-L584 HydrophobicContact CG2-CB 3.76Å; V531-L584 HydrophobicContact CG2-CD1 3.83Å; V531-L584 HydrophobicContact CG2-CG 4.42Å; V559-L584 HydrophobicContact CB-CD2 4.31Å; V559-L584 HydrophobicContact CG1-CD2 3.8Å; V559-L584 HydrophobicContact CG2-CD2 3.56Å; I580-L584 HydrophobicContact CG2-CB 4.22Å; I580-L584 HydrophobicContact CG2-CD2 4.13Å; I580-L584 WeakPolarHBondContact O-CB 3.18Å; I580-L584 PolarHBondContact O-N 3.48Å; L584-L586 VanDerWaalsContact C-N 3.32Å; L584-L586 HydrophobicContact CD2-CD1 3.7Å; L584-L586 HydrophobicContact CD2-CG 4.33Å; L584-L586 HydrophobicContact CG-CD1 4.02Å; L584-L586 HydrophobicContact CG-CG 4.09Å; L584-L586 PolarHBondContact O-N 2.9Å; L584-I596 HydrophobicContact CB-CD1 4.3Å; L584-I596 HydrophobicContact CD2-CD1 3.99Å; L584-I596 WeakPolarHBondContact O-CG2 3.08Å
585	S	94.1	Very high	90.4	Very high	81 Å²	81	48.5 Å²	48.5	57%	0.566	25%	0.249	S	C	*	.			trans	-76.7	65.7	-173.1	50	0	0	0	0	114.6	S529 L583	S529-S585 PolarHBondContact OG-N 2.69Å; S529-S585 VanDerWaalsContact OG-N 3.1Å; S529-S585 PolarHBondContact OG-OG 2.93Å; L583-S585 PolarHBondContact O-N 3.19Å; L583-S585 VanDerWaalsContact O-N 3.12Å
586	L	93.6	Very high	90.4	Very high	1 Å²	1	45 Å²	45	1%	0.005	23%	0.233	C	C	.	.			trans	-102.3	163.8	175.8	-67.2	174.6	0	0	0	113.5	V559 L584 I596 R599 F600	V559-L586 HydrophobicContact CG2-CD1 4.39Å; L584-L586 VanDerWaalsContact C-N 3.32Å; L584-L586 HydrophobicContact CD2-CD1 3.7Å; L584-L586 HydrophobicContact CD2-CG 4.33Å; L584-L586 HydrophobicContact CG-CD1 4.02Å; L584-L586 HydrophobicContact CG-CG 4.09Å; L584-L586 PolarHBondContact O-N 2.9Å; L586-I596 HydrophobicContact CB-CG2 4.28Å; L586-R599 WeakPolarHBondContact O-CD 3.49Å; L586-R599 PolarHBondContact O-NH1 2.84Å; L586-F600 HydrophobicContact CB-CE2 4.26Å; L586-F600 HydrophobicContact CB-CZ 3.72Å
587	G	90.6	Very high	90.4	Very high	22 Å²	22	45.4 Å²	45.4	23%	0.227	24%	0.236	C	C	.	.	S	Bend	trans	75.4	-161.4	175.3	0	0	0	0	0	114.3	S548	S548-G587 PolarHBondContact OG-N 2.96Å
588	D	81.7	Confident	90.3	Very high	77 Å²	77	45.5 Å²	45.5	41%	0.412	24%	0.236	S	C	.	.			trans	-66.8	138.1	178.8	-173.5	4.9	0	0	0	111.5	Q590 L591	D588-Q590 PolarHBondContact OD1-N 2.87Å; D588-L591 HydrophobicContact CB-CD1 4.39Å; D588-L591 HydrophobicContact CB-CG 4.27Å
589	R	78.1	Confident	90.2	Very high	222 Å²	222	46.2 Å²	46.2	84%	0.838	24%	0.237	S	C	*	.	S	Bend	trans	-79.6	-19.2	176.7	-63.7	-178.3	65.4	157.6	-0.2	112.6	L591 S592	R589-L591 VanDerWaalsContact C-N 3.26Å; R589-S592 WeakPolarHBondContact O-CB 3.11Å; R589-S592 PolarHBondContact O-N 3.18Å
590	Q	78.3	Confident	90.3	Very high	137 Å²	137	45.7 Å²	45.7	64%	0.64	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-29.1	171.9	-55.9	-171.2	24.9	0	0	111.7	D588 S592	D588-Q590 PolarHBondContact OD1-N 2.87Å; Q590-S592 PolarHBondContact O-N 3.12Å; Q590-S592 VanDerWaalsContact O-N 3.08Å
591	L	84.9	Confident	90.3	Very high	24 Å²	24	46.6 Å²	46.6	13%	0.126	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	34.2	174.3	-57.8	-177.9	0	0	0	112.6	D588 R589 A593 F594 R599 Y771 L823	D588-L591 HydrophobicContact CB-CD1 4.39Å; D588-L591 HydrophobicContact CB-CG 4.27Å; R589-L591 VanDerWaalsContact C-N 3.26Å; L591-A593 PolarHBondContact O-N 2.98Å; L591-F594 HydrophobicContact CB-CD2 3.99Å; L591-F594 HydrophobicContact CD2-CD2 4.06Å; L591-F594 HydrophobicContact CD2-CE2 4.12Å; L591-F594 PolarHBondContact O-N 3.06Å; L591-F594 VanDerWaalsContact O-N 3.09Å; L591-R599 HydrophobicContact CB-CG 4.14Å; L591-R599 HydrophobicContact CD1-CG 4.44Å; L591-R599 PolarHBondContact O-NE 3.09Å; L591-R599 PolarHBondContact O-NH2 2.89Å; L591-Y771 HydrophobicContact CD2-CD1 3.85Å; L591-Y771 HydrophobicContact CD2-CG 4.05Å; L591-L823 HydrophobicContact CD1-CD2 3.9Å; L591-L823 HydrophobicContact CD2-CD2 4.03Å
592	S	76.1	Confident	90.4	Very high	87 Å²	87	46.5 Å²	46.5	61%	0.608	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-32.2	-177.7	57.2	0	0	0	0	113.5	R589 Q590 F594	R589-S592 WeakPolarHBondContact O-CB 3.11Å; R589-S592 PolarHBondContact O-N 3.18Å; Q590-S592 PolarHBondContact O-N 3.12Å; Q590-S592 VanDerWaalsContact O-N 3.08Å; S592-F594 PolarHBondContact O-N 3.5Å
593	A	80.3	Confident	90.8	Very high	22 Å²	22	42 Å²	42	18%	0.182	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.9	176.7	0	0	0	0	0	114.2	L591 T825	L591-A593 PolarHBondContact O-N 2.98Å; A593-T825 HydrophobicContact CB-CG2 4.38Å
594	F	92.4	Very high	91	Very high	2 Å²	2	37 Å²	37	1%	0.009	20%	0.196	C	C	.	.	S	Bend	trans	-101.6	138	-178.3	-58.1	-88.7	0	0	0	110.5	L591 S592 L598 R599 Y771 L823 T825 E837	L591-F594 HydrophobicContact CB-CD2 3.99Å; L591-F594 HydrophobicContact CD2-CD2 4.06Å; L591-F594 HydrophobicContact CD2-CE2 4.12Å; L591-F594 PolarHBondContact O-N 3.06Å; L591-F594 VanDerWaalsContact O-N 3.09Å; S592-F594 PolarHBondContact O-N 3.5Å; F594-L598 HydrophobicContact CB-CB 4.4Å; F594-L598 HydrophobicContact CD1-CB 4.2Å; F594-L598 HydrophobicContact CD1-CD1 4.44Å; F594-R599 HydrophobicContact CB-CG 4.25Å; F594-R599 VanDerWaalsContact O-CZ 3.23Å; F594-R599 PolarHBondContact O-NE 3.28Å; F594-R599 PolarHBondContact O-NH2 3.21Å; F594-Y771 AromaticContact CE2-CD2 3.55Å; F594-Y771 HydrophobicContact CE2-CD2 3.55Å; F594-Y771 AromaticContact CE2-CE2 3.92Å; F594-Y771 HydrophobicContact CE2-CE2 3.92Å; F594-Y771 AromaticContact CE2-CG 3.93Å; F594-Y771 HydrophobicContact CE2-CG 3.93Å; F594-Y771 AromaticContact CZ-CD2 3.79Å; F594-Y771 HydrophobicContact CZ-CD2 3.79Å; F594-Y771 HydrophobicContact CZ-CE2 4.33Å; F594-Y771 HydrophobicContact CZ-CG 4.41Å; F594-L823 HydrophobicContact CD1-CB 4.44Å; F594-L823 HydrophobicContact CD1-CD2 4.27Å; F594-L823 HydrophobicContact CD2-CD2 4.32Å; F594-L823 HydrophobicContact CE1-CB 3.75Å; F594-L823 HydrophobicContact CE1-CD2 4.36Å; F594-L823 HydrophobicContact CE1-CG 4.49Å; F594-L823 HydrophobicContact CE2-CB 4.27Å; F594-L823 HydrophobicContact CE2-CD2 4.38Å; F594-L823 HydrophobicContact CG-CD2 4.28Å; F594-L823 HydrophobicContact CZ-CB 3.66Å; F594-L823 HydrophobicContact CZ-CD2 4.42Å; F594-T825 HydrophobicContact CE2-CG2 4.47Å; F594-T825 HydrophobicContact CZ-CG2 3.97Å; F594-E837 HydrophobicContact CD1-CB 3.71Å; F594-E837 HydrophobicContact CD1-CG 3.61Å; F594-E837 HydrophobicContact CE1-CB 3.89Å; F594-E837 HydrophobicContact CE1-CG 3.91Å; F594-E837 HydrophobicContact CG-CG 4.39Å
595	D	93.3	Very high	91.2	Very high	15 Å²	15	36.7 Å²	36.7	8%	0.08	20%	0.195	C	C	.	.			trans	-71.9	166.5	164.8	78.5	34.4	0	0	0	111.6	L581 S597 L598 G861	L581-D595 HydrophobicContact CD1-CB 4.26Å; L581-D595 WeakPolarHBondContact CD1-OD1 3.41Å; L581-D595 HydrophobicContact CG-CB 4.28Å; D595-S597 PolarHBondContact O-N 3.38Å; D595-S597 WeakPolarHBondContact OD1-CA 3.32Å; D595-S597 WeakPolarHBondContact OD1-CB 3.36Å; D595-S597 PolarHBondContact OD1-N 3.4Å; D595-S597 PolarHBondContact OD1-OG 2.64Å; D595-L598 PolarHBondContact O-N 2.97Å; D595-G861 PolarHBondContact OD2-N 2.89Å
596	I	95.8	Very high	91.5	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-57.5	-21.7	-175.6	56	168.5	0	0	0	113.7	V559 L581 L584 L586 L598 R599 F600 W605	V559-I596 HydrophobicContact CG2-CD1 4.05Å; L581-I596 HydrophobicContact CD1-CG1 3.77Å; L584-I596 HydrophobicContact CB-CD1 4.3Å; L584-I596 HydrophobicContact CD2-CD1 3.99Å; L584-I596 WeakPolarHBondContact O-CG2 3.08Å; L586-I596 HydrophobicContact CB-CG2 4.28Å; I596-L598 PolarHBondContact O-N 3.19Å; I596-R599 PolarHBondContact O-N 3.25Å; I596-F600 HydrophobicContact CB-CE2 4.09Å; I596-F600 HydrophobicContact CG2-CE2 4.3Å; I596-F600 WeakPolarHBondContact O-CD2 3.47Å; I596-W605 HydrophobicContact CD1-CE3 4.4Å; I596-W605 HydrophobicContact CD1-CZ3 3.92Å
597	S	95.2	Very high	91.7	Very high	9 Å²	9	32.8 Å²	32.8	6%	0.063	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-71.5	-6.8	179.9	84.2	0	0	0	0	113.8	D595 K696	D595-S597 PolarHBondContact O-N 3.38Å; D595-S597 WeakPolarHBondContact OD1-CA 3.32Å; D595-S597 WeakPolarHBondContact OD1-CB 3.36Å; D595-S597 PolarHBondContact OD1-N 3.4Å; D595-S597 PolarHBondContact OD1-OG 2.64Å; S597-K696 VanDerWaalsContact CB-NZ 3.33Å; S597-K696 WeakPolarHBondContact O-CD 3.35Å; S597-K696 VanDerWaalsContact O-CE 3.27Å; S597-K696 WeakPolarHBondContact O-CE 3.32Å; S597-K696 PolarHBondContact O-NZ 2.87Å; S597-K696 PolarHBondContact OG-NZ 3.01Å
598	L	95.6	Very high	92.1	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-128.1	8.2	175.5	-69.1	173.5	0	0	0	113.9	F594 D595 I596 Y698 L823 E837 V839	F594-L598 HydrophobicContact CB-CB 4.4Å; F594-L598 HydrophobicContact CD1-CB 4.2Å; F594-L598 HydrophobicContact CD1-CD1 4.44Å; D595-L598 PolarHBondContact O-N 2.97Å; I596-L598 PolarHBondContact O-N 3.19Å; L598-Y698 PolarHBondContact O-OH 2.97Å; L598-L823 WeakPolarHBondContact O-CD2 3.28Å; L598-E837 HydrophobicContact CD1-CB 3.41Å; L598-E837 VanDerWaalsContact CD1-CB 3.41Å; L598-V839 HydrophobicContact CD2-CB 4.32Å; L598-V839 HydrophobicContact CD2-CG1 3.88Å
599	R	95.6	Very high	92.9	Very high	38 Å²	38	28.2 Å²	28.2	14%	0.143	14%	0.138	C	C	.	.	S	Bend	trans	-88.9	-14	177.5	-68.7	-175.4	-171.4	-175.2	0.6	115.2	L586 L591 F594 I596 Y698	L586-R599 WeakPolarHBondContact O-CD 3.49Å; L586-R599 PolarHBondContact O-NH1 2.84Å; L591-R599 HydrophobicContact CB-CG 4.14Å; L591-R599 HydrophobicContact CD1-CG 4.44Å; L591-R599 PolarHBondContact O-NE 3.09Å; L591-R599 PolarHBondContact O-NH2 2.89Å; F594-R599 HydrophobicContact CB-CG 4.25Å; F594-R599 VanDerWaalsContact O-CZ 3.23Å; F594-R599 PolarHBondContact O-NE 3.28Å; F594-R599 PolarHBondContact O-NH2 3.21Å; I596-R599 PolarHBondContact O-N 3.25Å; R599-Y698 VanDerWaalsContact C-OH 3.27Å; R599-Y698 PolarHBondContact O-OH 3.01Å
600	F	97.1	Very high	93.9	Very high	7 Å²	7	17.8 Å²	17.8	3%	0.031	10%	0.099	C	C	.	.			trans	-126.4	135.4	-169.7	-52.4	-67.1	0	0	0	112.2	S555 L586 I596 H602 L603 Y698	S555-F600 WeakPolarHBondContact OG-CA 3.4Å; L586-F600 HydrophobicContact CB-CE2 4.26Å; L586-F600 HydrophobicContact CB-CZ 3.72Å; I596-F600 HydrophobicContact CB-CE2 4.09Å; I596-F600 HydrophobicContact CG2-CE2 4.3Å; I596-F600 WeakPolarHBondContact O-CD2 3.47Å; F600-H602 PolarHBondContact O-N 3.05Å; F600-L603 HydrophobicContact CB-CB 4.37Å; F600-L603 HydrophobicContact CD2-CB 4.32Å; F600-L603 HydrophobicContact CD2-CD1 4.07Å; F600-L603 HydrophobicContact CE2-CD1 4.49Å; F600-Y698 PolarHBondContact N-OH 2.63Å; F600-Y698 WeakPolarHBondContact O-CD1 3.29Å; F600-Y698 WeakPolarHBondContact O-CE1 3.38Å
601	T	97.7	Very high	94.8	Very high	19 Å²	19	11.3 Å²	11.3	12%	0.117	7%	0.068	C	C	.	.	S	Bend	trans	-53.7	-39.7	169.6	-41	0	0	0	0	110.8	T554 S555 S697 Y698 T701	T554-T601 HydrophobicContact CG2-CG2 3.97Å; S555-T601 PolarHBondContact N-OG1 3.46Å; S555-T601 VanDerWaalsContact N-OG1 3.16Å; S555-T601 WeakPolarHBondContact O-CB 3.3Å; S555-T601 PolarHBondContact O-N 2.87Å; S555-T601 PolarHBondContact OG-N 2.95Å; S555-T601 PolarHBondContact OG-OG1 3.38Å; T601-S697 CarbonylContact O-C 3.6Å; T601-S697 WeakPolarHBondContact O-CA 3.3Å; T601-S697 WeakPolarHBondContact O-CB 3.18Å; T601-Y698 HydrophobicContact CG2-CD2 4.09Å; T601-Y698 HydrophobicContact CG2-CG 4.48Å; T601-Y698 PolarHBondContact O-N 3.12Å; T601-T701 HydrophobicContact CG2-CG2 3.77Å
602	H	98.7	Very high	95.4	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	114.7	171	-55.4	-75.4	0	0	0	111.2	S555 F556 G557 F600 F604 S697 V728	S555-H602 PolarHBondContact O-N 3.12Å; S555-H602 VanDerWaalsContact O-N 3.09Å; F556-H602 WeakPolarHBondContact CA-O 3.39Å; F556-H602 HydrophobicContact CD1-CB 4.07Å; F556-H602 HydrophobicContact CE1-CB 4.1Å; G557-H602 PolarHBondContact N-O 2.92Å; F600-H602 PolarHBondContact O-N 3.05Å; H602-F604 HydrophobicContact CB-CE2 3.82Å; H602-F604 HydrophobicContact CB-CZ 4.37Å; H602-S697 WeakPolarHBondContact ND1-CB 3.45Å; H602-S697 PolarHBondContact ND1-OG 2.84Å; H602-V728 WeakPolarHBondContact CD2-CG1 3.17Å; H602-V728 VanDerWaalsContact NE2-CG1 3.34Å; H602-V728 WeakPolarHBondContact NE2-CG1 3.28Å
603	L	98.8	Very high	96.5	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.01	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	123.2	169.6	173.3	64.2	0	0	0	109.6	G557 V559 F600 F651 W695 K696	G557-L603 WeakPolarHBondContact O-CA 3.38Å; V559-L603 HydrophobicContact CG2-CD1 3.99Å; F600-L603 HydrophobicContact CB-CB 4.37Å; F600-L603 HydrophobicContact CD2-CB 4.32Å; F600-L603 HydrophobicContact CD2-CD1 4.07Å; F600-L603 HydrophobicContact CE2-CD1 4.49Å; L603-F651 HydrophobicContact CD2-CE1 3.95Å; L603-F651 HydrophobicContact CD2-CZ 3.71Å; L603-F651 HydrophobicContact CG-CE1 4.29Å; L603-W695 CarbonylContact O-C 3.54Å; L603-W695 VanDerWaalsContact O-CA 3.26Å; L603-W695 WeakPolarHBondContact O-CA 3.46Å; L603-K696 PolarHBondContact N-O 2.97Å; L603-K696 PolarHBondContact O-N 2.79Å
604	F	98.9	Very high	97.1	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.1	171.1	-61.6	-88	0	0	0	110.3	I429 F556 G557 F558 V559 H602 F606 W695 I703 F726 V728	I429-F604 HydrophobicContact CD1-CB 3.46Å; I429-F604 VanDerWaalsContact CD1-CB 3.46Å; I429-F604 HydrophobicContact CD1-CD1 3.29Å; I429-F604 HydrophobicContact CD1-CD2 4.04Å; I429-F604 HydrophobicContact CD1-CE1 3.98Å; I429-F604 HydrophobicContact CD1-CG 3.32Å; F556-F604 HydrophobicContact CD1-CE2 4.13Å; F556-F604 HydrophobicContact CE1-CE2 4.3Å; G557-F604 PolarHBondContact O-N 3.04Å; F558-F604 CarbonylContact C-O 3.59Å; F558-F604 WeakPolarHBondContact CA-O 3.26Å; F558-F604 HydrophobicContact CD1-CB 3.86Å; F558-F604 AromaticContact CD1-CD2 3.87Å; F558-F604 HydrophobicContact CD1-CD2 3.87Å; F558-F604 HydrophobicContact CD1-CG 4.18Å; F558-F604 HydrophobicContact CE1-CB 4.21Å; F558-F604 AromaticContact CE1-CD2 3.38Å; F558-F604 HydrophobicContact CE1-CD2 3.38Å; F558-F604 AromaticContact CE1-CE2 3.99Å; F558-F604 HydrophobicContact CE1-CE2 3.99Å; F558-F604 HydrophobicContact CE1-CG 4.01Å; F558-F604 HydrophobicContact CZ-CD2 4.06Å; F558-F604 HydrophobicContact CZ-CE2 4.37Å; V559-F604 PolarHBondContact N-O 2.87Å; H602-F604 HydrophobicContact CB-CE2 3.82Å; H602-F604 HydrophobicContact CB-CZ 4.37Å; F604-F606 HydrophobicContact CB-CD1 4.3Å; F604-F606 HydrophobicContact CB-CE1 4.31Å; F604-W695 HydrophobicContact CD1-CB 3.6Å; F604-W695 HydrophobicContact CE1-CB 3.83Å; F604-W695 HydrophobicContact CE1-CG 4.39Å; F604-W695 HydrophobicContact CG-CB 4.4Å; F604-I703 HydrophobicContact CE1-CD1 3.88Å; F604-I703 HydrophobicContact CZ-CD1 3.67Å; F604-F726 HydrophobicContact CD1-CD2 4.21Å; F604-F726 HydrophobicContact CD1-CE2 4.03Å; F604-F726 HydrophobicContact CD1-CZ 4.29Å; F604-F726 HydrophobicContact CE1-CB 4.33Å; F604-F726 AromaticContact CE1-CD1 3.89Å; F604-F726 HydrophobicContact CE1-CD1 3.89Å; F604-F726 AromaticContact CE1-CD2 3.58Å; F604-F726 HydrophobicContact CE1-CD2 3.58Å; F604-F726 HydrophobicContact CE1-CE1 4.08Å; F604-F726 AromaticContact CE1-CE2 3.79Å; F604-F726 HydrophobicContact CE1-CE2 3.79Å; F604-F726 AromaticContact CE1-CG 3.64Å; F604-F726 HydrophobicContact CE1-CG 3.64Å; F604-F726 HydrophobicContact CE1-CZ 4.03Å; F604-F726 HydrophobicContact CZ-CB 4.35Å; F604-F726 HydrophobicContact CZ-CD2 4.27Å; F604-F726 HydrophobicContact CZ-CG 4.14Å; F604-V728 HydrophobicContact CZ-CG2 4.3Å
605	W	98.9	Very high	97.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	119.6	178.2	-163.1	-38.5	0	0	0	109.4	V559 C561 Y577 I580 L581 I596 F648 F651 L694	V559-W605 HydrophobicContact CB-CB 4.42Å; V559-W605 HydrophobicContact CB-CD2 4.08Å; V559-W605 HydrophobicContact CB-CG 3.97Å; V559-W605 HydrophobicContact CG1-CD2 3.97Å; V559-W605 HydrophobicContact CG1-CG 4.17Å; V559-W605 HydrophobicContact CG1-CZ2 4.32Å; V559-W605 WeakPolarHBondContact O-CA 3.03Å; C561-W605 PolarHBondContact SG-NE1 2.86Å; Y577-W605 AromaticContact CD2-CH2 3.59Å; Y577-W605 HydrophobicContact CD2-CH2 3.59Å; Y577-W605 AromaticContact CD2-CZ2 3.84Å; Y577-W605 HydrophobicContact CD2-CZ2 3.84Å; Y577-W605 AromaticContact CD2-CZ3 4Å; Y577-W605 HydrophobicContact CD2-CZ3 4Å; Y577-W605 HydrophobicContact CE2-CE3 4.32Å; Y577-W605 AromaticContact CE2-CH2 3.87Å; Y577-W605 HydrophobicContact CE2-CH2 3.87Å; Y577-W605 HydrophobicContact CE2-CZ2 4.46Å; Y577-W605 AromaticContact CE2-CZ3 3.8Å; Y577-W605 HydrophobicContact CE2-CZ3 3.8Å; I580-W605 HydrophobicContact CB-CH2 3.83Å; I580-W605 HydrophobicContact CB-CZ2 3.73Å; I580-W605 HydrophobicContact CD1-CZ2 4.12Å; I580-W605 HydrophobicContact CG2-CH2 3.56Å; I580-W605 HydrophobicContact CG2-CZ2 3.43Å; I580-W605 VanDerWaalsContact CG2-CZ2 3.43Å; L581-W605 HydrophobicContact CB-CH2 4.12Å; L581-W605 HydrophobicContact CB-CZ3 4.29Å; L581-W605 HydrophobicContact CD1-CZ3 4.2Å; I596-W605 HydrophobicContact CD1-CE3 4.4Å; I596-W605 HydrophobicContact CD1-CZ3 3.92Å; W605-F648 HydrophobicContact CB-CE1 4.16Å; W605-F648 AromaticContact CD1-CE1 3.9Å; W605-F648 AromaticContact CD2-CE1 3.74Å; W605-F648 HydrophobicContact CD2-CE1 3.74Å; W605-F648 HydrophobicContact CD2-CZ 4.45Å; W605-F648 AromaticContact CE2-CE1 3.98Å; W605-F648 HydrophobicContact CE3-CE1 4.26Å; W605-F648 AromaticContact CG-CE1 3.69Å; W605-F648 HydrophobicContact CG-CE1 3.69Å; W605-F648 HydrophobicContact CG-CZ 4.44Å; W605-F651 HydrophobicContact CB-CE1 4.08Å; W605-F651 HydrophobicContact CE3-CE1 4.33Å; W605-F651 HydrophobicContact CE3-CZ 4.1Å; W605-L694 PolarHBondContact N-O 3.35Å; W605-L694 PolarHBondContact O-N 3.42Å
606	F	98.9	Very high	97.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	169.2	-173.2	47.9	-80.8	0	0	0	110.4	I429 V469 V511 F558 V559 N560 C561 F604 R692 I693	I429-F606 HydrophobicContact CG2-CB 4.26Å; I429-F606 HydrophobicContact CG2-CD1 3.59Å; I429-F606 HydrophobicContact CG2-CD2 3.91Å; I429-F606 HydrophobicContact CG2-CE1 3.86Å; I429-F606 HydrophobicContact CG2-CE2 4.12Å; I429-F606 HydrophobicContact CG2-CG 3.65Å; I429-F606 HydrophobicContact CG2-CZ 4.12Å; V469-F606 HydrophobicContact CG1-CE1 4.3Å; V469-F606 HydrophobicContact CG1-CE2 4.24Å; V469-F606 HydrophobicContact CG1-CZ 3.54Å; V511-F606 HydrophobicContact CG2-CE2 4.48Å; V511-F606 HydrophobicContact CG2-CZ 4.23Å; F558-F606 HydrophobicContact CB-CE1 3.98Å; F558-F606 HydrophobicContact CB-CZ 4.13Å; F558-F606 HydrophobicContact CD1-CE1 4.17Å; V559-F606 WeakPolarHBondContact O-CD1 3.35Å; V559-F606 PolarHBondContact O-N 2.85Å; V559-F606 VanDerWaalsContact O-O 3.09Å; N560-F606 CarbonylContact C-O 3.56Å; N560-F606 VanDerWaalsContact CA-O 3.31Å; N560-F606 WeakPolarHBondContact CA-O 3.33Å; N560-F606 HydrophobicContact CB-CD2 4.11Å; N560-F606 HydrophobicContact CB-CE2 3.7Å; N560-F606 HydrophobicContact CB-CZ 4.3Å; C561-F606 PolarHBondContact N-O 3.09Å; F604-F606 HydrophobicContact CB-CD1 4.3Å; F604-F606 HydrophobicContact CB-CE1 4.31Å; F606-R692 WeakPolarHBondContact CA-O 3.45Å; F606-R692 VanDerWaalsContact CB-O 3.32Å; F606-R692 WeakPolarHBondContact CB-O 3.4Å; F606-I693 HydrophobicContact CB-CB 4.26Å; F606-I693 HydrophobicContact CB-CG1 3.89Å; F606-I693 HydrophobicContact CB-CG2 4.3Å
607	G	98.8	Very high	97.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.3	-171.4	174.9	0	0	0	0	0	114.1	T431 C561 L609 D691 R692	T431-G607 VanDerWaalsContact OG1-CA 3.23Å; T431-G607 WeakPolarHBondContact OG1-CA 3.47Å; C561-G607 VanDerWaalsContact O-CA 3.27Å; C561-G607 WeakPolarHBondContact O-CA 3.48Å; G607-L609 VanDerWaalsContact C-N 3.34Å; G607-L609 PolarHBondContact O-N 2.97Å; G607-D691 WeakPolarHBondContact O-CA 3.22Å; G607-R692 PolarHBondContact N-O 3.32Å; G607-R692 VanDerWaalsContact N-O 3.12Å; G607-R692 PolarHBondContact O-N 2.86Å
608	D	98.8	Very high	97	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	88	159.1	-177.2	-5.6	0	0	0	107.7	N433 Q473 C561 H562 L563 N610 C690 H719	N433-D608 HydrophobicContact CB-CB 4.36Å; N433-D608 PolarHBondContact ND2-OD2 3.07Å; Q473-D608 HydrophobicContact CB-CB 4.42Å; Q473-D608 HydrophobicContact CG-CB 4.01Å; C561-D608 PolarHBondContact O-N 3.03Å; H562-D608 WeakPolarHBondContact CA-O 3.46Å; H562-D608 IonicContact CD2-OD2 3.11Å; H562-D608 IonicContact CE1-OD2 2.7Å; H562-D608 IonicContact NE2-OD2 2.72Å; H562-D608 PolarHBondContact NE2-OD2 3.24Å; L563-D608 PolarHBondContact N-O 2.8Å; D608-N610 PolarHBondContact O-N 3.06Å; D608-N610 VanDerWaalsContact OD1-CA 3.31Å; D608-N610 WeakPolarHBondContact OD1-CA 3.46Å; D608-N610 WeakPolarHBondContact OD1-CB 3.45Å; D608-N610 PolarHBondContact OD1-N 3Å; D608-N610 PolarHBondContact OD1-ND2 3.31Å; D608-N610 PolarHBondContact OD2-ND2 3.07Å; D608-C690 CarbonylContact C-O 3.5Å; D608-C690 WeakPolarHBondContact OD1-CB 3.49Å; D608-H719 IonicContact OD2-CE1 3.49Å; D608-H719 PolarHBondContact OD2-CE1 3.28Å; D608-H719 IonicContact OD2-NE2 2.77Å
609	L	98.8	Very high	97	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.136	C	C	.	.			trans	-73.7	-12.7	177.6	-52	-166.2	0	0	0	111.7	C561 L563 R573 G607 Y611 L638 F648 C690 R692 L694	C561-L609 WeakPolarHBondContact SG-CD2 3.4Å; L563-L609 HydrophobicContact CD1-CB 4.15Å; L563-L609 HydrophobicContact CD1-CD2 4.07Å; L563-L609 HydrophobicContact CG-CD2 4.34Å; R573-L609 WeakPolarHBondContact CD-O 3.34Å; G607-L609 VanDerWaalsContact C-N 3.34Å; G607-L609 PolarHBondContact O-N 2.97Å; L609-Y611 HydrophobicContact CB-CD2 3.83Å; L609-Y611 HydrophobicContact CB-CE2 4.26Å; L609-Y611 VanDerWaalsContact O-CD2 3.24Å; L609-Y611 WeakPolarHBondContact O-CD2 3.43Å; L609-Y611 PolarHBondContact O-N 2.99Å; L609-L638 HydrophobicContact CD1-CD2 3.75Å; L609-F648 HydrophobicContact CD1-CE2 4.16Å; L609-F648 HydrophobicContact CD1-CZ 3.91Å; L609-F648 HydrophobicContact CD2-CZ 4.44Å; L609-C690 PolarHBondContact N-O 2.9Å; L609-R692 HydrophobicContact CB-CG 4.49Å; L609-R692 HydrophobicContact CD1-CB 3.69Å; L609-R692 HydrophobicContact CD1-CG 4.09Å; L609-R692 HydrophobicContact CG-CB 4.02Å; L609-R692 HydrophobicContact CG-CG 4.29Å; L609-L694 HydrophobicContact CD1-CD1 3.6Å
610	N	98.3	Very high	97.1	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	13%	0.13	C	C	.	.			trans	57	12.7	170.5	-114.8	-66.2	0	0	0	116.8	H562 S565 R573 D608 R612 C690	H562-N610 PolarHBondContact NE2-ND2 3.03Å; S565-N610 WeakPolarHBondContact CA-OD1 3.35Å; S565-N610 VanDerWaalsContact CB-CG 3.48Å; S565-N610 WeakPolarHBondContact CB-OD1 3.43Å; R573-N610 PolarHBondContact NH1-O 3.22Å; D608-N610 PolarHBondContact O-N 3.06Å; D608-N610 VanDerWaalsContact OD1-CA 3.31Å; D608-N610 WeakPolarHBondContact OD1-CA 3.46Å; D608-N610 WeakPolarHBondContact OD1-CB 3.45Å; D608-N610 PolarHBondContact OD1-N 3Å; D608-N610 PolarHBondContact OD1-ND2 3.31Å; D608-N610 PolarHBondContact OD2-ND2 3.07Å; N610-R612 PolarHBondContact O-NE 2.92Å; N610-R612 PolarHBondContact OD1-NE 2.61Å; N610-R612 PolarHBondContact OD1-NH2 2.97Å; N610-C690 PolarHBondContact N-O 3.07Å
611	Y	98.6	Very high	97	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	14%	0.143	C	C	.	.			trans	-64.6	151.9	167.9	-71.3	-88.1	0	0	0	110.4	L563 T570 R573 N574 L609 Q637 L638	L563-Y611 HydrophobicContact CD1-CE2 4.14Å; T570-Y611 HydrophobicContact CG2-CD1 4.34Å; T570-Y611 HydrophobicContact CG2-CE1 4.02Å; R573-Y611 HydrophobicContact CB-CE1 3.93Å; R573-Y611 HydrophobicContact CB-CE2 3.92Å; R573-Y611 WeakPolarHBondContact CB-OH 3.42Å; R573-Y611 HydrophobicContact CG-CE2 4.49Å; N574-Y611 PolarHBondContact N-OH 3.35Å; N574-Y611 PolarHBondContact OD1-OH 2.92Å; L609-Y611 HydrophobicContact CB-CD2 3.83Å; L609-Y611 HydrophobicContact CB-CE2 4.26Å; L609-Y611 VanDerWaalsContact O-CD2 3.24Å; L609-Y611 WeakPolarHBondContact O-CD2 3.43Å; L609-Y611 PolarHBondContact O-N 2.99Å; Y611-Q637 HydrophobicContact CD1-CB 3.79Å; Y611-L638 HydrophobicContact CD1-CB 4.21Å; Y611-L638 HydrophobicContact CD2-CB 3.92Å; Y611-L638 HydrophobicContact CD2-CD1 4.04Å; Y611-L638 HydrophobicContact CD2-CD2 4.47Å; Y611-L638 HydrophobicContact CD2-CG 4.37Å; Y611-L638 HydrophobicContact CE2-CD1 3.86Å; Y611-L638 HydrophobicContact CG-CB 3.74Å
612	R	97.7	Very high	97	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	15%	0.153	C	C	.	.			trans	-128.3	165.9	-167.8	-55.6	-62.3	178	97.8	-16.3	112	N567 N610 Q637 Y662 N685 S688	N567-R612 HydrophobicContact CB-CB 4.33Å; N567-R612 HydrophobicContact CB-CG 4.32Å; N567-R612 PolarHBondContact OD1-NH1 2.85Å; N567-R612 VanDerWaalsContact OD1-NH1 3.12Å; N610-R612 PolarHBondContact O-NE 2.92Å; N610-R612 PolarHBondContact OD1-NE 2.61Å; N610-R612 PolarHBondContact OD1-NH2 2.97Å; R612-Q637 WeakPolarHBondContact O-CB 3.25Å; R612-Q637 WeakPolarHBondContact O-CG 3.44Å; R612-Q637 PolarHBondContact O-N 3.34Å; R612-Y662 VanDerWaalsContact CZ-CE1 3.5Å; R612-Y662 PolarHBondContact NH2-OH 3.19Å; R612-N685 PolarHBondContact NH1-OD1 3.17Å; R612-S688 VanDerWaalsContact CA-OG 3.29Å; R612-S688 WeakPolarHBondContact CA-OG 3.27Å; R612-S688 WeakPolarHBondContact CD-OG 3.27Å
613	L	97.6	Very high	97	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-78.7	139	164.1	-56.7	-172.8	0	0	0	110.3	N567 I620 L632 V635 D636 V686 P687 S688 W689	N567-L613 PolarHBondContact ND2-O 3.01Å; L613-I620 HydrophobicContact CB-CD1 3.83Å; L613-I620 HydrophobicContact CD1-CD1 3.98Å; L613-I620 HydrophobicContact CD1-CG1 3.97Å; L613-I620 HydrophobicContact CD1-CG2 4Å; L613-L632 HydrophobicContact CD1-CB 3.99Å; L613-L632 HydrophobicContact CD1-CD1 4.29Å; L613-L632 HydrophobicContact CD1-CD2 4.31Å; L613-L632 HydrophobicContact CD1-CG 4.44Å; L613-L632 WeakPolarHBondContact CD2-O 3.43Å; L613-V635 HydrophobicContact CB-CG2 4.46Å; L613-V635 HydrophobicContact CD2-CG2 4.46Å; L613-D636 HydrophobicContact CD2-CB 4.07Å; L613-V686 HydrophobicContact CB-CG2 4.29Å; L613-P687 WeakPolarHBondContact CD1-O 3.3Å; L613-P687 WeakPolarHBondContact CG-O 3.45Å; L613-S688 PolarHBondContact N-OG 3.19Å; L613-S688 VanDerWaalsContact N-OG 3.1Å; L613-W689 HydrophobicContact CD1-CZ3 4.31Å; L613-W689 HydrophobicContact CD2-CE3 3.84Å; L613-W689 HydrophobicContact CD2-CZ3 3.83Å
614	D	93.4	Very high	96.9	Very high	114 Å²	114	34.3 Å²	34.3	61%	0.61	17%	0.17	S	C	*	.			trans	-105.6	65.8	177	-147.2	21.9	0	0	0	110.1	V635	D614-V635 PolarHBondContact N-O 3.05Å
615	M	94.1	Very high	96.7	Very high	44 Å²	44	38.7 Å²	38.7	22%	0.217	20%	0.2	C	C	.	.	S	Bend	trans	-155	159.3	-173.2	175.7	-177.4	-79.2	0	0	109.9	E619 I620 Y623 L632 V635	M615-E619 HydrophobicContact CG-CB 3.84Å; M615-E619 WeakPolarHBondContact CG-OE2 3.34Å; M615-E619 HydrophobicContact SD-CB 3.82Å; M615-I620 HydrophobicContact CB-CD1 4.01Å; M615-I620 HydrophobicContact CB-CG1 3.97Å; M615-I620 HydrophobicContact CG-CD1 4.36Å; M615-I620 HydrophobicContact CG-CG1 3.85Å; M615-I620 WeakPolarHBondContact O-CD1 3.36Å; M615-I620 HydrophobicContact SD-CG1 3.82Å; M615-Y623 HydrophobicContact CE-CE2 4.18Å; M615-Y623 HydrophobicContact SD-CD2 4.05Å; M615-Y623 HydrophobicContact SD-CE2 4.11Å; M615-L632 HydrophobicContact CE-CD2 4.31Å; M615-L632 HydrophobicContact SD-CD2 3.47Å; M615-L632 WeakPolarHBondContact SD-CD2 3.32Å; M615-V635 HydrophobicContact CB-CG2 3.98Å; M615-V635 HydrophobicContact CE-CG1 4.26Å; M615-V635 HydrophobicContact CE-CG2 3.92Å; M615-V635 HydrophobicContact SD-CG2 4.43Å
616	D	93.1	Very high	96.6	Very high	85 Å²	85	45.3 Å²	45.3	46%	0.455	23%	0.225	S	C	.	.			trans	-70.2	151.7	178.2	-175.3	-104.1	0	0	0	113.2	Q618 E619 I620	D616-Q618 VanDerWaalsContact C-N 3.32Å; D616-Q618 PolarHBondContact O-N 2.9Å; D616-Q618 WeakPolarHBondContact OD1-CB 3.44Å; D616-Q618 WeakPolarHBondContact OD1-CG 3.2Å; D616-Q618 PolarHBondContact OD1-N 2.92Å; D616-E619 PolarHBondContact O-N 2.9Å; D616-I620 WeakPolarHBondContact O-CD1 3.39Å; D616-I620 VanDerWaalsContact O-CG1 3.25Å; D616-I620 WeakPolarHBondContact O-CG1 3.42Å; D616-I620 PolarHBondContact O-N 3.06Å
617	I	93.6	Very high	96.4	Very high	12 Å²	12	53.4 Å²	53.4	6%	0.062	26%	0.256	C	S	.	.	H	α-helix	trans	-59	-37.4	179.2	-174.9	60.3	0	0	0	113.6	L621 W674 V686 P687	I617-L621 HydrophobicContact CD1-CD1 3.89Å; I617-L621 HydrophobicContact CD1-CD2 4.44Å; I617-L621 HydrophobicContact CD1-CG 3.89Å; I617-L621 HydrophobicContact CG1-CD1 3.84Å; I617-L621 HydrophobicContact CG1-CG 4.26Å; I617-L621 WeakPolarHBondContact O-CB 3.18Å; I617-L621 VanDerWaalsContact O-CG 3.28Å; I617-L621 WeakPolarHBondContact O-CG 3.14Å; I617-L621 PolarHBondContact O-N 2.84Å; I617-W674 HydrophobicContact CB-CE3 4.43Å; I617-W674 HydrophobicContact CD1-CB 3.64Å; I617-W674 HydrophobicContact CD1-CD2 3.99Å; I617-W674 HydrophobicContact CD1-CE3 4.43Å; I617-W674 HydrophobicContact CD1-CG 3.62Å; I617-W674 HydrophobicContact CG1-CB 4.26Å; I617-W674 HydrophobicContact CG1-CD2 3.6Å; I617-W674 HydrophobicContact CG1-CE3 3.78Å; I617-W674 HydrophobicContact CG1-CG 3.82Å; I617-W674 HydrophobicContact CG1-CZ2 4.49Å; I617-W674 HydrophobicContact CG1-CZ3 4.26Å; I617-W674 HydrophobicContact CG2-CE3 4.33Å; I617-W674 HydrophobicContact CG2-CH2 4.46Å; I617-W674 HydrophobicContact CG2-CZ3 4.09Å; I617-V686 HydrophobicContact CB-CG1 4.18Å; I617-V686 HydrophobicContact CD1-CB 4.38Å; I617-V686 HydrophobicContact CD1-CG1 4.32Å; I617-P687 HydrophobicContact CD1-CG 4.26Å
618	Q	93.6	Very high	96.3	Very high	152 Å²	152	57.2 Å²	57.2	71%	0.71	27%	0.274	S	S	*	.	H	α-helix	trans	-69.2	-40.9	-177.8	-61.9	-169.8	-3	0	0	111.4	D616 N622	D616-Q618 VanDerWaalsContact C-N 3.32Å; D616-Q618 PolarHBondContact O-N 2.9Å; D616-Q618 WeakPolarHBondContact OD1-CB 3.44Å; D616-Q618 WeakPolarHBondContact OD1-CG 3.2Å; D616-Q618 PolarHBondContact OD1-N 2.92Å; Q618-N622 VanDerWaalsContact O-CB 3.29Å; Q618-N622 WeakPolarHBondContact O-CB 3.39Å; Q618-N622 PolarHBondContact O-N 2.94Å
619	E	96.1	Very high	96.2	Very high	99 Å²	99	58.3 Å²	58.3	46%	0.463	28%	0.278	S	S	.	.	H	α-helix	trans	-65.6	-47.6	175.7	-59.9	-174.6	130.5	0	0	110.8	M615 D616 L621 N622 Y623	M615-E619 HydrophobicContact CG-CB 3.84Å; M615-E619 WeakPolarHBondContact CG-OE2 3.34Å; M615-E619 HydrophobicContact SD-CB 3.82Å; D616-E619 PolarHBondContact O-N 2.9Å; E619-L621 PolarHBondContact O-N 3.24Å; E619-N622 PolarHBondContact O-N 3.35Å; E619-Y623 HydrophobicContact CB-CE2 4.38Å; E619-Y623 WeakPolarHBondContact O-CD2 3.39Å; E619-Y623 PolarHBondContact O-N 3.39Å
620	I	97.1	Very high	96.2	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-57	-49.1	177.8	-68.6	165.8	0	0	0	111.2	L613 M615 D616 N622 Y623 I624 L632 V686 P687	L613-I620 HydrophobicContact CB-CD1 3.83Å; L613-I620 HydrophobicContact CD1-CD1 3.98Å; L613-I620 HydrophobicContact CD1-CG1 3.97Å; L613-I620 HydrophobicContact CD1-CG2 4Å; M615-I620 HydrophobicContact CB-CD1 4.01Å; M615-I620 HydrophobicContact CB-CG1 3.97Å; M615-I620 HydrophobicContact CG-CD1 4.36Å; M615-I620 HydrophobicContact CG-CG1 3.85Å; M615-I620 WeakPolarHBondContact O-CD1 3.36Å; M615-I620 HydrophobicContact SD-CG1 3.82Å; D616-I620 WeakPolarHBondContact O-CD1 3.39Å; D616-I620 VanDerWaalsContact O-CG1 3.25Å; D616-I620 WeakPolarHBondContact O-CG1 3.42Å; D616-I620 PolarHBondContact O-N 3.06Å; I620-N622 PolarHBondContact O-N 3.31Å; I620-Y623 PolarHBondContact O-N 2.88Å; I620-I624 HydrophobicContact CG2-CD1 3.61Å; I620-I624 HydrophobicContact CG2-CG1 4.38Å; I620-I624 WeakPolarHBondContact O-CB 3.43Å; I620-I624 VanDerWaalsContact O-CG1 3.22Å; I620-I624 WeakPolarHBondContact O-CG1 3.32Å; I620-I624 PolarHBondContact O-N 3.31Å; I620-L632 HydrophobicContact CB-CD2 4.48Å; I620-L632 HydrophobicContact CG1-CD2 4.1Å; I620-V686 HydrophobicContact CD1-CB 3.63Å; I620-V686 HydrophobicContact CD1-CG1 4.04Å; I620-V686 HydrophobicContact CD1-CG2 3.75Å; I620-P687 HydrophobicContact CG2-CB 3.79Å; I620-P687 HydrophobicContact CG2-CG 3.78Å
621	L	95.9	Very high	96.2	Very high	58 Å²	58	64.5 Å²	64.5	30%	0.304	31%	0.31	S	S	.	.	H	α-helix	trans	-65.9	-37.9	179.8	-69.2	174.3	0	0	0	112.2	I617 E619 I624 S625 Y672 P687	I617-L621 HydrophobicContact CD1-CD1 3.89Å; I617-L621 HydrophobicContact CD1-CD2 4.44Å; I617-L621 HydrophobicContact CD1-CG 3.89Å; I617-L621 HydrophobicContact CG1-CD1 3.84Å; I617-L621 HydrophobicContact CG1-CG 4.26Å; I617-L621 WeakPolarHBondContact O-CB 3.18Å; I617-L621 VanDerWaalsContact O-CG 3.28Å; I617-L621 WeakPolarHBondContact O-CG 3.14Å; I617-L621 PolarHBondContact O-N 2.84Å; E619-L621 PolarHBondContact O-N 3.24Å; L621-I624 PolarHBondContact O-N 2.86Å; L621-S625 WeakPolarHBondContact O-CB 3.46Å; L621-S625 PolarHBondContact O-N 2.99Å; L621-Y672 HydrophobicContact CD2-CD2 4.23Å; L621-P687 HydrophobicContact CD2-CG 4.17Å
622	N	97.1	Very high	96.1	Very high	62 Å²	62	64.4 Å²	64.4	33%	0.332	31%	0.309	S	S	.	.	H	α-helix	trans	-61.1	-49.7	174.3	176.4	42.9	0	0	0	111.7	Q618 E619 I620 S625 R626	Q618-N622 VanDerWaalsContact O-CB 3.29Å; Q618-N622 WeakPolarHBondContact O-CB 3.39Å; Q618-N622 PolarHBondContact O-N 2.94Å; E619-N622 PolarHBondContact O-N 3.35Å; I620-N622 PolarHBondContact O-N 3.31Å; N622-S625 PolarHBondContact O-N 2.82Å; N622-S625 PolarHBondContact O-OG 3.06Å; N622-R626 PolarHBondContact ND2-NH2 2.93Å; N622-R626 WeakPolarHBondContact O-CG 3.42Å; N622-R626 PolarHBondContact O-N 3.2Å; N622-R626 VanDerWaalsContact OD1-CZ 3.26Å; N622-R626 PolarHBondContact OD1-NE 3.26Å; N622-R626 PolarHBondContact OD1-NH2 2.86Å
623	Y	98	Very high	96.2	Very high	63 Å²	63	65.5 Å²	65.5	25%	0.247	32%	0.315	C	S	.	.	H	α-helix	trans	-63.3	-41.9	176.6	-74.4	-57.9	0	0	0	112.8	M615 E619 I620 S625 R626 R627 E628 P631 L632	M615-Y623 HydrophobicContact CE-CE2 4.18Å; M615-Y623 HydrophobicContact SD-CD2 4.05Å; M615-Y623 HydrophobicContact SD-CE2 4.11Å; E619-Y623 HydrophobicContact CB-CE2 4.38Å; E619-Y623 WeakPolarHBondContact O-CD2 3.39Å; E619-Y623 PolarHBondContact O-N 3.39Å; I620-Y623 PolarHBondContact O-N 2.88Å; Y623-S625 PolarHBondContact O-N 2.86Å; Y623-R626 PolarHBondContact O-N 2.72Å; Y623-R627 PolarHBondContact O-N 3.29Å; Y623-R627 VanDerWaalsContact O-N 3.12Å; Y623-E628 HydrophobicContact CD1-CB 3.98Å; Y623-E628 WeakPolarHBondContact CD1-OE2 3.26Å; Y623-E628 PolarHBondContact O-N 3.04Å; Y623-P631 HydrophobicContact CD1-CB 4.16Å; Y623-P631 HydrophobicContact CD1-CG 3.96Å; Y623-P631 HydrophobicContact CD2-CB 4.37Å; Y623-P631 HydrophobicContact CE1-CB 3.91Å; Y623-P631 HydrophobicContact CE1-CG 3.74Å; Y623-P631 HydrophobicContact CE2-CB 4.13Å; Y623-P631 HydrophobicContact CG-CB 4.4Å; Y623-L632 HydrophobicContact CD2-CD2 3.69Å; Y623-L632 HydrophobicContact CG-CD2 4.1Å; Y623-L632 HydrophobicContact CG-CG 4.48Å
624	I	96.6	Very high	96.2	Very high	23 Å²	23	73 Å²	73	12%	0.118	34%	0.343	C	S	.	.	H	α-helix	trans	-60.4	-43.8	175.2	-69	167.7	0	0	0	111.1	I620 L621 R626 R627 L632 P660 Y672 P687	I620-I624 HydrophobicContact CG2-CD1 3.61Å; I620-I624 HydrophobicContact CG2-CG1 4.38Å; I620-I624 WeakPolarHBondContact O-CB 3.43Å; I620-I624 VanDerWaalsContact O-CG1 3.22Å; I620-I624 WeakPolarHBondContact O-CG1 3.32Å; I620-I624 PolarHBondContact O-N 3.31Å; L621-I624 PolarHBondContact O-N 2.86Å; I624-R626 PolarHBondContact O-N 3.39Å; I624-R627 PolarHBondContact O-N 2.84Å; I624-L632 HydrophobicContact CG1-CD1 3.84Å; I624-P660 HydrophobicContact CD1-CG 3.86Å; I624-P660 HydrophobicContact CG1-CG 4.27Å; I624-Y672 HydrophobicContact CD1-CE2 4.1Å; I624-Y672 HydrophobicContact CG2-CE2 4.02Å; I624-P687 HydrophobicContact CD1-CB 3.67Å; I624-P687 HydrophobicContact CD1-CG 3.95Å
625	S	95.7	Very high	96.4	Very high	92 Å²	92	69 Å²	69	64%	0.643	32%	0.323	S	S	*	.	H	α-helix	trans	-59.2	-31.2	179.2	78	0	0	0	0	113.2	L621 N622 Y623	L621-S625 WeakPolarHBondContact O-CB 3.46Å; L621-S625 PolarHBondContact O-N 2.99Å; N622-S625 PolarHBondContact O-N 2.82Å; N622-S625 PolarHBondContact O-OG 3.06Å; Y623-S625 PolarHBondContact O-N 2.86Å
626	R	96.4	Very high	96.6	Very high	139 Å²	139	67 Å²	67	53%	0.525	31%	0.313	S	S	.	.	H	α-helix	trans	-86.5	-10.3	176.8	-60.2	170	-167.7	-143	-0.9	113.2	N622 Y623 I624 E628	N622-R626 PolarHBondContact ND2-NH2 2.93Å; N622-R626 WeakPolarHBondContact O-CG 3.42Å; N622-R626 PolarHBondContact O-N 3.2Å; N622-R626 VanDerWaalsContact OD1-CZ 3.26Å; N622-R626 PolarHBondContact OD1-NE 3.26Å; N622-R626 PolarHBondContact OD1-NH2 2.86Å; Y623-R626 PolarHBondContact O-N 2.72Å; I624-R626 PolarHBondContact O-N 3.39Å; R626-E628 HydrophobicContact CB-CB 4.2Å; R626-E628 HydrophobicContact CB-CG 3.72Å; R626-E628 VanDerWaalsContact CD-CD 3.44Å; R626-E628 WeakPolarHBondContact CD-OE1 3.4Å; R626-E628 VanDerWaalsContact CD-OE2 3.28Å; R626-E628 WeakPolarHBondContact CD-OE2 3.43Å; R626-E628 PolarHBondContact O-N 2.55Å
627	R	94.6	Very high	96.9	Very high	170 Å²	170	63.4 Å²	63.4	64%	0.642	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	27.8	-167.6	-55.6	176.2	177.5	-105.4	-3.2	113	Y623 I624 F629	Y623-R627 PolarHBondContact O-N 3.29Å; Y623-R627 VanDerWaalsContact O-N 3.12Å; I624-R627 PolarHBondContact O-N 2.84Å; R627-F629 HydrophobicContact CB-CE1 4.45Å; R627-F629 HydrophobicContact CB-CZ 4.06Å; R627-F629 HydrophobicContact CG-CZ 4.38Å; R627-F629 PolarHBondContact O-N 3.2Å
628	E	96.8	Very high	97.1	Very high	80 Å²	80	62.8 Å²	62.8	37%	0.374	29%	0.291	S	S	.	.			trans	-86.7	78.3	176.8	-72.7	169.1	-166.2	0	0	109.4	Y623 R626 P631	Y623-E628 HydrophobicContact CD1-CB 3.98Å; Y623-E628 WeakPolarHBondContact CD1-OE2 3.26Å; Y623-E628 PolarHBondContact O-N 3.04Å; R626-E628 HydrophobicContact CB-CB 4.2Å; R626-E628 HydrophobicContact CB-CG 3.72Å; R626-E628 VanDerWaalsContact CD-CD 3.44Å; R626-E628 WeakPolarHBondContact CD-OE1 3.4Å; R626-E628 VanDerWaalsContact CD-OE2 3.28Å; R626-E628 WeakPolarHBondContact CD-OE2 3.43Å; R626-E628 PolarHBondContact O-N 2.55Å; E628-P631 WeakPolarHBondContact O-CD 3.18Å
629	F	97.8	Very high	97.3	Very high	24 Å²	24	57.6 Å²	57.6	11%	0.105	27%	0.268	C	S	.	.			trans	-78.6	-26	-175.6	-53.5	-40.9	0	0	0	114	R627 L632 L633 P659 W689	R627-F629 HydrophobicContact CB-CE1 4.45Å; R627-F629 HydrophobicContact CB-CZ 4.06Å; R627-F629 HydrophobicContact CG-CZ 4.38Å; R627-F629 PolarHBondContact O-N 3.2Å; F629-L632 WeakPolarHBondContact O-CA 3.26Å; F629-L632 VanDerWaalsContact O-CB 3.29Å; F629-L632 WeakPolarHBondContact O-CB 3.33Å; F629-L632 PolarHBondContact O-N 2.87Å; F629-L633 HydrophobicContact CB-CD1 4.41Å; F629-L633 WeakPolarHBondContact O-CG 3.32Å; F629-L633 PolarHBondContact O-N 2.88Å; F629-P659 HydrophobicContact CE1-CB 3.77Å; F629-P659 HydrophobicContact CZ-CB 3.71Å; F629-P659 HydrophobicContact CZ-CG 4.37Å; F629-W689 HydrophobicContact CB-CH2 3.96Å; F629-W689 HydrophobicContact CB-CZ2 4.03Å; F629-W689 HydrophobicContact CD1-CH2 4.48Å; F629-W689 HydrophobicContact CD1-CZ2 4.22Å; F629-W689 HydrophobicContact CG-CH2 4.45Å; F629-W689 HydrophobicContact CG-CZ2 4.14Å
630	E	97.3	Very high	97.5	Very high	102 Å²	102	55 Å²	55	48%	0.477	26%	0.256	S	S	.	.	H	α-helix	trans	-56.5	-44.5	-176	169	60.9	-168.3	0	0	114.5	L632 L633 R634	E630-L632 PolarHBondContact O-N 2.95Å; E630-L633 PolarHBondContact O-N 2.82Å; E630-R634 VanDerWaalsContact CG-NH2 3.27Å; E630-R634 WeakPolarHBondContact O-CG 3.43Å; E630-R634 PolarHBondContact O-N 3.09Å; E630-R634 IonicContact OE1-CZ 3.99Å; E630-R634 IonicContact OE1-NE 2.99Å; E630-R634 PolarHBondContact OE1-NE 3.42Å; E630-R634 IonicContact OE1-NH2 3.25Å; E630-R634 PolarHBondContact OE1-NH2 2.75Å
631	P	97.9	Very high	97.5	Very high	32 Å²	32	55.5 Å²	55.5	21%	0.208	26%	0.259	C	S	.	.	H	α-helix	trans	-59.1	-31.9	171.9	-25.7	35.9	0	0	0	113.9	Y623 E628	Y623-P631 HydrophobicContact CD1-CB 4.16Å; Y623-P631 HydrophobicContact CD1-CG 3.96Å; Y623-P631 HydrophobicContact CD2-CB 4.37Å; Y623-P631 HydrophobicContact CE1-CB 3.91Å; Y623-P631 HydrophobicContact CE1-CG 3.74Å; Y623-P631 HydrophobicContact CE2-CB 4.13Å; Y623-P631 HydrophobicContact CG-CB 4.4Å; E628-P631 WeakPolarHBondContact O-CD 3.18Å
632	L	98.4	Very high	97.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-78	-37.2	-180	-53	-177.8	0	0	0	111.7	L613 M615 I620 Y623 I624 F629 E630 R634 V635 D636 W689	L613-L632 HydrophobicContact CD1-CB 3.99Å; L613-L632 HydrophobicContact CD1-CD1 4.29Å; L613-L632 HydrophobicContact CD1-CD2 4.31Å; L613-L632 HydrophobicContact CD1-CG 4.44Å; L613-L632 WeakPolarHBondContact CD2-O 3.43Å; M615-L632 HydrophobicContact CE-CD2 4.31Å; M615-L632 HydrophobicContact SD-CD2 3.47Å; M615-L632 WeakPolarHBondContact SD-CD2 3.32Å; I620-L632 HydrophobicContact CB-CD2 4.48Å; I620-L632 HydrophobicContact CG1-CD2 4.1Å; Y623-L632 HydrophobicContact CD2-CD2 3.69Å; Y623-L632 HydrophobicContact CG-CD2 4.1Å; Y623-L632 HydrophobicContact CG-CG 4.48Å; I624-L632 HydrophobicContact CG1-CD1 3.84Å; F629-L632 WeakPolarHBondContact O-CA 3.26Å; F629-L632 VanDerWaalsContact O-CB 3.29Å; F629-L632 WeakPolarHBondContact O-CB 3.33Å; F629-L632 PolarHBondContact O-N 2.87Å; E630-L632 PolarHBondContact O-N 2.95Å; L632-R634 PolarHBondContact O-N 3.44Å; L632-V635 CarbonylContact O-C 3.59Å; L632-V635 WeakPolarHBondContact O-CG2 3.17Å; L632-V635 PolarHBondContact O-N 2.73Å; L632-D636 PolarHBondContact O-N 3.08Å; L632-D636 VanDerWaalsContact O-N 3.15Å; L632-W689 HydrophobicContact CB-CH2 3.74Å; L632-W689 HydrophobicContact CB-CZ3 3.65Å; L632-W689 HydrophobicContact CD1-CH2 4.16Å
633	L	98.2	Very high	97.6	Very high	23 Å²	23	59.1 Å²	59.1	12%	0.12	27%	0.27	C	S	.	.	H	α-helix	trans	-66.3	-24	179.8	-69.2	169.2	0	0	0	113	F629 E630 V635 D636 N639 I656 W689	F629-L633 HydrophobicContact CB-CD1 4.41Å; F629-L633 WeakPolarHBondContact O-CG 3.32Å; F629-L633 PolarHBondContact O-N 2.88Å; E630-L633 PolarHBondContact O-N 2.82Å; L633-V635 VanDerWaalsContact C-N 3.32Å; L633-D636 WeakPolarHBondContact O-CB 3.23Å; L633-D636 PolarHBondContact O-N 2.83Å; L633-N639 PolarHBondContact O-ND2 2.94Å; L633-I656 HydrophobicContact CD1-CB 4.19Å; L633-I656 WeakPolarHBondContact CD1-O 3.14Å; L633-I656 HydrophobicContact CD2-CB 3.78Å; L633-I656 HydrophobicContact CD2-CD1 4.02Å; L633-I656 HydrophobicContact CD2-CG1 4.43Å; L633-I656 HydrophobicContact CD2-CG2 3.9Å; L633-W689 HydrophobicContact CD2-CD2 4.17Å; L633-W689 HydrophobicContact CD2-CE3 3.75Å; L633-W689 HydrophobicContact CD2-CH2 3.84Å; L633-W689 HydrophobicContact CD2-CZ2 4.25Å; L633-W689 HydrophobicContact CD2-CZ3 3.57Å; L633-W689 HydrophobicContact CG-CH2 3.97Å; L633-W689 HydrophobicContact CG-CZ3 3.97Å
634	R	97.9	Very high	97.5	Very high	158 Å²	158	61 Å²	61	60%	0.596	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-19.7	172.6	-63	168.5	-169	167.5	-2	113.7	E630 L632	E630-R634 VanDerWaalsContact CG-NH2 3.27Å; E630-R634 WeakPolarHBondContact O-CG 3.43Å; E630-R634 PolarHBondContact O-N 3.09Å; E630-R634 IonicContact OE1-CZ 3.99Å; E630-R634 IonicContact OE1-NE 2.99Å; E630-R634 PolarHBondContact OE1-NE 3.42Å; E630-R634 IonicContact OE1-NH2 3.25Å; E630-R634 PolarHBondContact OE1-NH2 2.75Å; L632-R634 PolarHBondContact O-N 3.44Å
635	V	98	Very high	97.4	Very high	32 Å²	32	66 Å²	66	19%	0.194	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	10.1	175	-61.5	0	0	0	0	112.6	L613 D614 M615 L632 L633 Q637	L613-V635 HydrophobicContact CB-CG2 4.46Å; L613-V635 HydrophobicContact CD2-CG2 4.46Å; D614-V635 PolarHBondContact N-O 3.05Å; M615-V635 HydrophobicContact CB-CG2 3.98Å; M615-V635 HydrophobicContact CE-CG1 4.26Å; M615-V635 HydrophobicContact CE-CG2 3.92Å; M615-V635 HydrophobicContact SD-CG2 4.43Å; L632-V635 CarbonylContact O-C 3.59Å; L632-V635 WeakPolarHBondContact O-CG2 3.17Å; L632-V635 PolarHBondContact O-N 2.73Å; L633-V635 VanDerWaalsContact C-N 3.32Å; V635-Q637 PolarHBondContact O-N 2.73Å
636	D	98.6	Very high	97.4	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-71.4	119.6	171.2	176.8	66	0	0	0	110.2	L613 L632 L633 L638 N639 L640 R692	L613-D636 HydrophobicContact CD2-CB 4.07Å; L632-D636 PolarHBondContact O-N 3.08Å; L632-D636 VanDerWaalsContact O-N 3.15Å; L633-D636 WeakPolarHBondContact O-CB 3.23Å; L633-D636 PolarHBondContact O-N 2.83Å; D636-L638 PolarHBondContact O-N 2.9Å; D636-L638 WeakPolarHBondContact OD2-CB 3.45Å; D636-L638 PolarHBondContact OD2-N 2.98Å; D636-N639 HydrophobicContact CB-CB 4.27Å; D636-N639 PolarHBondContact O-N 3.36Å; D636-N639 PolarHBondContact OD2-N 2.99Å; D636-N639 VanDerWaalsContact OD2-N 3.1Å; D636-N639 PolarHBondContact OD2-OD1 2.79Å; D636-L640 PolarHBondContact O-N 2.69Å; D636-R692 IonicContact OD1-NH1 2.64Å; D636-R692 PolarHBondContact OD1-NH1 3.49Å; D636-R692 IonicContact OD2-CZ 2.92Å; D636-R692 IonicContact OD2-NH1 2.69Å; D636-R692 PolarHBondContact OD2-NH1 3.49Å; D636-R692 IonicContact OD2-NH2 2.69Å; D636-R692 PolarHBondContact OD2-NH2 2.82Å
637	Q	98.7	Very high	97.4	Very high	10 Å²	10	59.7 Å²	59.7	5%	0.047	27%	0.267	C	S	.	.	H	α-helix	trans	-63.4	-23.7	-175.3	-71.5	170.7	-11.5	0	0	113.7	N567 T570 Y611 R612 V635 E641	N567-Q637 PolarHBondContact O-NE2 3.38Å; T570-Q637 HydrophobicContact CG2-CB 4.38Å; T570-Q637 VanDerWaalsContact OG1-CD 3.24Å; T570-Q637 PolarHBondContact OG1-NE2 2.95Å; T570-Q637 PolarHBondContact OG1-OE1 3.34Å; T570-Q637 VanDerWaalsContact OG1-OE1 3.13Å; Y611-Q637 HydrophobicContact CD1-CB 3.79Å; R612-Q637 WeakPolarHBondContact O-CB 3.25Å; R612-Q637 WeakPolarHBondContact O-CG 3.44Å; R612-Q637 PolarHBondContact O-N 3.34Å; V635-Q637 PolarHBondContact O-N 2.73Å; Q637-E641 WeakPolarHBondContact O-CB 3.47Å; Q637-E641 WeakPolarHBondContact O-CG 3.33Å; Q637-E641 PolarHBondContact O-N 3.33Å; Q637-E641 VanDerWaalsContact O-N 3.14Å
638	L	98.8	Very high	97.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-73.5	-45.9	175.1	178.3	57.2	0	0	0	110.6	L609 Y611 D636 L640 E641 R642 V647 F648 R692 L694	L609-L638 HydrophobicContact CD1-CD2 3.75Å; Y611-L638 HydrophobicContact CD1-CB 4.21Å; Y611-L638 HydrophobicContact CD2-CB 3.92Å; Y611-L638 HydrophobicContact CD2-CD1 4.04Å; Y611-L638 HydrophobicContact CD2-CD2 4.47Å; Y611-L638 HydrophobicContact CD2-CG 4.37Å; Y611-L638 HydrophobicContact CE2-CD1 3.86Å; Y611-L638 HydrophobicContact CG-CB 3.74Å; D636-L638 PolarHBondContact O-N 2.9Å; D636-L638 WeakPolarHBondContact OD2-CB 3.45Å; D636-L638 PolarHBondContact OD2-N 2.98Å; L638-L640 PolarHBondContact O-N 2.87Å; L638-E641 PolarHBondContact O-N 2.97Å; L638-R642 HydrophobicContact CD1-CG 4.05Å; L638-R642 HydrophobicContact CG-CG 4.48Å; L638-R642 WeakPolarHBondContact O-CB 3.49Å; L638-R642 VanDerWaalsContact O-CG 3.25Å; L638-R642 WeakPolarHBondContact O-CG 3.41Å; L638-R642 PolarHBondContact O-N 3.02Å; L638-V647 HydrophobicContact CD1-CG2 4.1Å; L638-F648 HydrophobicContact CD1-CD2 3.62Å; L638-F648 HydrophobicContact CD1-CE2 3.89Å; L638-R692 HydrophobicContact CD2-CG 4.09Å; L638-L694 HydrophobicContact CD2-CD1 4.13Å; L638-L694 HydrophobicContact CD2-CD2 4.47Å
639	N	98.4	Very high	97.6	Very high	43 Å²	43	48.4 Å²	48.4	23%	0.23	22%	0.222	C	C	.	.	H	α-helix	trans	-57.4	-49.9	174.4	-66.2	-13.6	0	0	0	111.1	L633 D636 E641 R642 E643 R692	L633-N639 PolarHBondContact O-ND2 2.94Å; D636-N639 HydrophobicContact CB-CB 4.27Å; D636-N639 PolarHBondContact O-N 3.36Å; D636-N639 PolarHBondContact OD2-N 2.99Å; D636-N639 VanDerWaalsContact OD2-N 3.1Å; D636-N639 PolarHBondContact OD2-OD1 2.79Å; N639-E641 PolarHBondContact O-N 3.28Å; N639-R642 PolarHBondContact O-N 3Å; N639-E643 WeakPolarHBondContact O-CB 3.45Å; N639-E643 PolarHBondContact O-N 3.37Å; N639-R692 PolarHBondContact OD1-NH2 3.23Å
640	L	98.4	Very high	97.5	Very high	43 Å²	43	51.5 Å²	51.5	23%	0.225	23%	0.233	C	C	.	.	H	α-helix	trans	-62	-36	-179.9	-73.3	171.2	0	0	0	113.9	D636 L638 K644	D636-L640 PolarHBondContact O-N 2.69Å; L638-L640 PolarHBondContact O-N 2.87Å; L640-K644 VanDerWaalsContact O-CD 3.29Å; L640-K644 WeakPolarHBondContact O-CD 3.31Å; L640-K644 WeakPolarHBondContact O-CE 3.44Å; L640-K644 WeakPolarHBondContact O-CG 3.27Å; L640-K644 PolarHBondContact O-N 2.77Å
641	E	98.3	Very high	97.5	Very high	12 Å²	12	47.1 Å²	47.1	6%	0.056	21%	0.212	C	C	.	.	H	α-helix	trans	-86.4	-20	179.7	-61.5	-75.1	96.6	0	0	112.8	T570 N574 Q637 L638 N639 K644 K646 V647	T570-E641 HydrophobicContact CG2-CG 3.56Å; N574-E641 PolarHBondContact ND2-OE2 2.9Å; Q637-E641 WeakPolarHBondContact O-CB 3.47Å; Q637-E641 WeakPolarHBondContact O-CG 3.33Å; Q637-E641 PolarHBondContact O-N 3.33Å; Q637-E641 VanDerWaalsContact O-N 3.14Å; L638-E641 PolarHBondContact O-N 2.97Å; N639-E641 PolarHBondContact O-N 3.28Å; E641-K644 WeakPolarHBondContact OE1-CD 3.35Å; E641-K644 IonicContact OE1-NZ 2.71Å; E641-K644 PolarHBondContact OE1-NZ 3.28Å; E641-K646 HydrophobicContact CB-CD 4.48Å; E641-K646 PolarHBondContact O-N 3.5Å; E641-K646 IonicContact OE1-NZ 3.19Å; E641-K646 PolarHBondContact OE1-NZ 2.57Å; E641-K646 WeakPolarHBondContact OE2-CD 3.33Å; E641-K646 IonicContact OE2-NZ 2.59Å; E641-K646 PolarHBondContact OE2-NZ 2.82Å; E641-V647 HydrophobicContact CB-CG2 3.83Å
642	R	97.9	Very high	97.5	Very high	53 Å²	53	48.3 Å²	48.3	20%	0.2	22%	0.221	C	C	.	.	H	α-helix	trans	-69.7	-46.2	166.1	-77.1	168.9	69.4	-155.9	5.3	111.6	L638 N639 K644 H645 V647 F648 F651 E653	L638-R642 HydrophobicContact CD1-CG 4.05Å; L638-R642 HydrophobicContact CG-CG 4.48Å; L638-R642 WeakPolarHBondContact O-CB 3.49Å; L638-R642 VanDerWaalsContact O-CG 3.25Å; L638-R642 WeakPolarHBondContact O-CG 3.41Å; L638-R642 PolarHBondContact O-N 3.02Å; N639-R642 PolarHBondContact O-N 3Å; R642-K644 VanDerWaalsContact C-N 3.26Å; R642-K644 PolarHBondContact O-N 3.21Å; R642-H645 WeakPolarHBondContact O-CA 3.26Å; R642-H645 PolarHBondContact O-N 3.35Å; R642-V647 HydrophobicContact CG-CG2 4.18Å; R642-F648 HydrophobicContact CG-CB 4.07Å; R642-F651 PolarHBondContact NH2-O 3.27Å; R642-E653 IonicContact NH1-OE2 2.81Å; R642-E653 PolarHBondContact NH1-OE2 2.68Å
643	E	96.5	Very high	97.6	Very high	142 Å²	142	49.7 Å²	49.7	66%	0.664	23%	0.228	S	C	*	.	H	α-helix	trans	-59.3	-37.4	176.3	-176.9	179.5	-148.6	0	0	112.1	N639 H645	N639-E643 WeakPolarHBondContact O-CB 3.45Å; N639-E643 PolarHBondContact O-N 3.37Å; E643-H645 PolarHBondContact O-N 2.82Å
644	K	96.1	Very high	97.6	Very high	104 Å²	104	50.8 Å²	50.8	45%	0.452	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	8.5	173.1	-62.6	166.3	-145.4	157.1	0	113.8	L640 E641 R642 K646	L640-K644 VanDerWaalsContact O-CD 3.29Å; L640-K644 WeakPolarHBondContact O-CD 3.31Å; L640-K644 WeakPolarHBondContact O-CE 3.44Å; L640-K644 WeakPolarHBondContact O-CG 3.27Å; L640-K644 PolarHBondContact O-N 2.77Å; E641-K644 WeakPolarHBondContact OE1-CD 3.35Å; E641-K644 IonicContact OE1-NZ 2.71Å; E641-K644 PolarHBondContact OE1-NZ 3.28Å; R642-K644 VanDerWaalsContact C-N 3.26Å; R642-K644 PolarHBondContact O-N 3.21Å; K644-K646 HydrophobicContact CB-CD 4.16Å; K644-K646 HydrophobicContact CB-CG 4.17Å; K644-K646 PolarHBondContact O-N 3.23Å; K644-K646 VanDerWaalsContact O-N 3.15Å
645	H	94.8	Very high	97.5	Very high	126 Å²	126	50.4 Å²	50.4	58%	0.583	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	24.9	-179.5	-58.3	110.4	0	0	0	115.9	R642 E643 L649	R642-H645 WeakPolarHBondContact O-CA 3.26Å; R642-H645 PolarHBondContact O-N 3.35Å; E643-H645 PolarHBondContact O-N 2.82Å; H645-L649 HydrophobicContact CB-CD1 4.27Å
646	K	95.1	Very high	97.6	Very high	100 Å²	100	49.4 Å²	49.4	44%	0.435	23%	0.23	S	C	.	.	S	Bend	trans	-87.8	-24.9	-177.2	-65	169.5	175.4	177.3	0	114.2	E641 K644	E641-K646 HydrophobicContact CB-CD 4.48Å; E641-K646 PolarHBondContact O-N 3.5Å; E641-K646 IonicContact OE1-NZ 3.19Å; E641-K646 PolarHBondContact OE1-NZ 2.57Å; E641-K646 WeakPolarHBondContact OE2-CD 3.33Å; E641-K646 IonicContact OE2-NZ 2.59Å; E641-K646 PolarHBondContact OE2-NZ 2.82Å; K644-K646 HydrophobicContact CB-CD 4.16Å; K644-K646 HydrophobicContact CB-CG 4.17Å; K644-K646 PolarHBondContact O-N 3.23Å; K644-K646 VanDerWaalsContact O-N 3.15Å
647	V	98	Very high	97.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-145.7	154.1	-175.8	-65.5	0	0	0	0	110.7	N574 Y577 L638 E641 R642 L649	N574-V647 HydrophobicContact CB-CG1 3.51Å; N574-V647 WeakPolarHBondContact OD1-CG1 3.31Å; Y577-V647 HydrophobicContact CD1-CB 4.03Å; Y577-V647 HydrophobicContact CD1-CG1 3.94Å; Y577-V647 HydrophobicContact CE1-CB 4.35Å; Y577-V647 HydrophobicContact CG-CB 4.38Å; Y577-V647 HydrophobicContact CG-CG1 4.37Å; L638-V647 HydrophobicContact CD1-CG2 4.1Å; E641-V647 HydrophobicContact CB-CG2 3.83Å; R642-V647 HydrophobicContact CG-CG2 4.18Å; V647-L649 PolarHBondContact O-N 3.37Å; V647-L649 VanDerWaalsContact O-N 3.16Å
648	F	97.9	Very high	97.5	Very high	3 Å²	3	51.3 Å²	51.3	1%	0.013	25%	0.245	C	C	.	.	S	Bend	trans	49	42.6	176.5	-64	-82.1	0	0	0	113.2	Y577 W605 L609 L638 R642 R650 F651 L694	Y577-F648 AromaticContact CD2-CD1 3.99Å; Y577-F648 HydrophobicContact CD2-CD1 3.99Å; Y577-F648 HydrophobicContact CD2-CD2 4.07Å; Y577-F648 AromaticContact CD2-CE1 3.78Å; Y577-F648 HydrophobicContact CD2-CE1 3.78Å; Y577-F648 AromaticContact CD2-CE2 3.86Å; Y577-F648 HydrophobicContact CD2-CE2 3.86Å; Y577-F648 HydrophobicContact CD2-CG 4.13Å; Y577-F648 AromaticContact CD2-CZ 3.72Å; Y577-F648 HydrophobicContact CD2-CZ 3.72Å; Y577-F648 HydrophobicContact CE2-CB 4.49Å; Y577-F648 AromaticContact CE2-CD1 3.7Å; Y577-F648 HydrophobicContact CE2-CD1 3.7Å; Y577-F648 HydrophobicContact CE2-CD2 4.27Å; Y577-F648 AromaticContact CE2-CE1 3.91Å; Y577-F648 HydrophobicContact CE2-CE1 3.91Å; Y577-F648 HydrophobicContact CE2-CE2 4.46Å; Y577-F648 AromaticContact CE2-CG 3.9Å; Y577-F648 HydrophobicContact CE2-CG 3.9Å; Y577-F648 HydrophobicContact CE2-CZ 4.29Å; Y577-F648 HydrophobicContact CG-CE2 4.37Å; Y577-F648 PolarHBondContact OH-N 3.29Å; W605-F648 HydrophobicContact CB-CE1 4.16Å; W605-F648 AromaticContact CD1-CE1 3.9Å; W605-F648 AromaticContact CD2-CE1 3.74Å; W605-F648 HydrophobicContact CD2-CE1 3.74Å; W605-F648 HydrophobicContact CD2-CZ 4.45Å; W605-F648 AromaticContact CE2-CE1 3.98Å; W605-F648 HydrophobicContact CE3-CE1 4.26Å; W605-F648 AromaticContact CG-CE1 3.69Å; W605-F648 HydrophobicContact CG-CE1 3.69Å; W605-F648 HydrophobicContact CG-CZ 4.44Å; L609-F648 HydrophobicContact CD1-CE2 4.16Å; L609-F648 HydrophobicContact CD1-CZ 3.91Å; L609-F648 HydrophobicContact CD2-CZ 4.44Å; L638-F648 HydrophobicContact CD1-CD2 3.62Å; L638-F648 HydrophobicContact CD1-CE2 3.89Å; R642-F648 HydrophobicContact CG-CB 4.07Å; F648-R650 PolarHBondContact O-N 2.84Å; F648-F651 HydrophobicContact CB-CB 4.05Å; F648-F651 HydrophobicContact CB-CD2 4.14Å; F648-F651 HydrophobicContact CB-CG 4.18Å; F648-F651 HydrophobicContact CD1-CD1 4.2Å; F648-F651 HydrophobicContact CD1-CD2 4.38Å; F648-F651 HydrophobicContact CD1-CE1 4.42Å; F648-F651 HydrophobicContact CD1-CG 4.18Å; F648-F651 WeakPolarHBondContact O-CB 3.15Å; F648-F651 PolarHBondContact O-N 2.63Å; F648-L694 HydrophobicContact CB-CD2 4.22Å; F648-L694 HydrophobicContact CD1-CD2 4.23Å; F648-L694 HydrophobicContact CG-CD2 4.15Å
649	L	95.7	Very high	97.5	Very high	10 Å²	10	51.9 Å²	51.9	5%	0.052	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	121.4	-178.2	178.9	62.8	0	0	0	111	H645 V647 F651 E863	H645-L649 HydrophobicContact CB-CD1 4.27Å; V647-L649 PolarHBondContact O-N 3.37Å; V647-L649 VanDerWaalsContact O-N 3.16Å; L649-F651 WeakPolarHBondContact O-CD2 3.46Å; L649-F651 PolarHBondContact O-N 3.48Å; L649-E863 HydrophobicContact CD2-CB 4.11Å
650	R	95.6	Very high	97.5	Very high	89 Å²	89	49.9 Å²	49.9	34%	0.336	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	23.1	-176.2	-56.9	-179.2	-77.7	176.4	-11.2	114.8	F648 F856 S858	F648-R650 PolarHBondContact O-N 2.84Å; R650-F856 PolarHBondContact NH1-O 3Å; R650-F856 PolarHBondContact NH2-O 2.91Å; R650-S858 PolarHBondContact NH2-OG 3.16Å
651	F	98.4	Very high	97.5	Very high	10 Å²	10	47.8 Å²	47.8	4%	0.044	23%	0.227	C	C	.	.			trans	-89.6	137.5	166.9	-74.2	-114.6	0	0	0	111.6	L603 W605 R642 F648 L649 L694 W695 K696	L603-F651 HydrophobicContact CD2-CE1 3.95Å; L603-F651 HydrophobicContact CD2-CZ 3.71Å; L603-F651 HydrophobicContact CG-CE1 4.29Å; W605-F651 HydrophobicContact CB-CE1 4.08Å; W605-F651 HydrophobicContact CE3-CE1 4.33Å; W605-F651 HydrophobicContact CE3-CZ 4.1Å; R642-F651 PolarHBondContact NH2-O 3.27Å; F648-F651 HydrophobicContact CB-CB 4.05Å; F648-F651 HydrophobicContact CB-CD2 4.14Å; F648-F651 HydrophobicContact CB-CG 4.18Å; F648-F651 HydrophobicContact CD1-CD1 4.2Å; F648-F651 HydrophobicContact CD1-CD2 4.38Å; F648-F651 HydrophobicContact CD1-CE1 4.42Å; F648-F651 HydrophobicContact CD1-CG 4.18Å; F648-F651 WeakPolarHBondContact O-CB 3.15Å; F648-F651 PolarHBondContact O-N 2.63Å; L649-F651 WeakPolarHBondContact O-CD2 3.46Å; L649-F651 PolarHBondContact O-N 3.48Å; F651-L694 HydrophobicContact CB-CB 4.46Å; F651-L694 HydrophobicContact CB-CD2 4.44Å; F651-L694 HydrophobicContact CD1-CB 4.28Å; F651-W695 CarbonylContact C-O 3.46Å; F651-W695 WeakPolarHBondContact CA-O 3.39Å; F651-K696 HydrophobicContact CD1-CB 3.79Å; F651-K696 HydrophobicContact CD2-CB 4.16Å; F651-K696 HydrophobicContact CD2-CD 4.11Å; F651-K696 HydrophobicContact CE1-CB 3.85Å; F651-K696 HydrophobicContact CE2-CB 4.23Å; F651-K696 HydrophobicContact CE2-CD 3.89Å; F651-K696 HydrophobicContact CG-CB 3.96Å; F651-K696 HydrophobicContact CZ-CB 4.08Å; F651-K696 HydrophobicContact CZ-CD 4.29Å
652	S	98.6	Very high	97.5	Very high	57 Å²	57	48.1 Å²	48.1	40%	0.399	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	151.6	168.2	-62.7	0	0	0	0	111.6	L694 W695	S652-L694 VanDerWaalsContact O-CA 3.32Å; S652-L694 WeakPolarHBondContact O-CA 3.34Å; S652-L694 WeakPolarHBondContact O-CB 3.42Å; S652-W695 PolarHBondContact N-O 3.34Å; S652-W695 PolarHBondContact O-N 3.24Å
653	E	98.8	Very high	97.4	Very high	29 Å²	29	47.4 Å²	47.4	14%	0.136	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	150.4	165.3	-176.5	168.5	-154.7	0	0	106.6	R642 R692 L694 Y708	R642-E653 IonicContact NH1-OE2 2.81Å; R642-E653 PolarHBondContact NH1-OE2 2.68Å; E653-R692 IonicContact OE1-CZ 3.77Å; E653-R692 IonicContact OE1-NE 3.22Å; E653-R692 PolarHBondContact OE1-NE 3Å; E653-R692 IonicContact OE1-NH2 2.79Å; E653-R692 IonicContact OE2-CZ 2.69Å; E653-R692 IonicContact OE2-NE 2.75Å; E653-R692 IonicContact OE2-NH2 3.92Å; E653-R692 PolarHBondContact OE2-NH2 3.04Å; E653-L694 HydrophobicContact CB-CD2 4.14Å; E653-L694 HydrophobicContact CB-CG 4.05Å; E653-L694 HydrophobicContact CG-CG 4.29Å; E653-Y708 HydrophobicContact CG-CE1 3.88Å; E653-Y708 PolarHBondContact OE1-OH 3.17Å
654	E	98.3	Very high	97.5	Very high	46 Å²	46	41 Å²	41	22%	0.215	20%	0.195	C	C	.	.			trans	-85.4	155.1	178.6	177.3	64.7	-75.8	0	0	111.2	K454 I656 W695 C705 Y708	K454-E654 HydrophobicContact CD-CG 4.14Å; K454-E654 IonicContact NZ-OE2 3.6Å; K454-E654 PolarHBondContact NZ-OE2 3.14Å; E654-I656 PolarHBondContact O-N 2.76Å; E654-W695 HydrophobicContact CB-CH2 3.97Å; E654-W695 HydrophobicContact CB-CZ3 4.07Å; E654-C705 HydrophobicContact CB-CB 4.33Å; E654-C705 HydrophobicContact CG-CB 4.31Å; E654-C705 WeakPolarHBondContact OE2-CB 3.29Å; E654-Y708 HydrophobicContact CB-CD1 3.6Å; E654-Y708 HydrophobicContact CB-CE1 4.39Å; E654-Y708 HydrophobicContact CB-CG 4.01Å; E654-Y708 HydrophobicContact CG-CD1 4.07Å; E654-Y708 HydrophobicContact CG-CG 4.3Å; E654-Y708 WeakPolarHBondContact O-CD1 3.49Å; E654-Y708 WeakPolarHBondContact O-CE1 3.18Å
655	E	97.6	Very high	97.4	Very high	150 Å²	150	40.8 Å²	40.8	70%	0.701	20%	0.196	S	C	*	.			trans	-58.4	120.3	-178.7	-167.3	-171.8	148.4	0	0	112.5	S657	E655-S657 PolarHBondContact O-N 3.2Å; E655-S657 VanDerWaalsContact O-N 3.12Å
656	I	98.5	Very high	97.5	Very high	10 Å²	10	40.1 Å²	40.1	5%	0.051	19%	0.188	C	C	.	.			trans	-78.3	100.4	-178.3	-64	177	0	0	0	109.8	L633 E654 F658 W689 Y708	L633-I656 HydrophobicContact CD1-CB 4.19Å; L633-I656 WeakPolarHBondContact CD1-O 3.14Å; L633-I656 HydrophobicContact CD2-CB 3.78Å; L633-I656 HydrophobicContact CD2-CD1 4.02Å; L633-I656 HydrophobicContact CD2-CG1 4.43Å; L633-I656 HydrophobicContact CD2-CG2 3.9Å; E654-I656 PolarHBondContact O-N 2.76Å; I656-F658 HydrophobicContact CB-CE1 4.26Å; I656-F658 HydrophobicContact CG1-CE1 4.15Å; I656-F658 HydrophobicContact CG1-CZ 4.29Å; I656-F658 HydrophobicContact CG2-CD1 4Å; I656-F658 HydrophobicContact CG2-CD2 4.43Å; I656-F658 HydrophobicContact CG2-CE1 3.86Å; I656-F658 HydrophobicContact CG2-CE2 4.31Å; I656-F658 HydrophobicContact CG2-CG 4.29Å; I656-F658 HydrophobicContact CG2-CZ 4.03Å; I656-W689 HydrophobicContact CD1-CG 4.5Å; I656-W689 HydrophobicContact CG2-CD2 4.14Å; I656-W689 HydrophobicContact CG2-CG 4.23Å; I656-W689 HydrophobicContact CG2-CZ2 4.05Å; I656-W689 VanDerWaalsContact CG2-NE1 3.3Å; I656-Y708 HydrophobicContact CD1-CE1 4.48Å; I656-Y708 HydrophobicContact CG1-CD1 4.42Å; I656-Y708 HydrophobicContact CG1-CE1 3.78Å
657	S	97.6	Very high	97.5	Very high	50 Å²	50	38.1 Å²	38.1	35%	0.35	20%	0.195	S	C	.	.			trans	-106.5	12.7	179.2	43.8	0	0	0	0	113.3	G453 K454 E655	G453-S657 WeakPolarHBondContact CA-O 3.43Å; G453-S657 WeakPolarHBondContact CA-OG 3.48Å; K454-S657 PolarHBondContact N-OG 3.21Å; E655-S657 PolarHBondContact O-N 3.2Å; E655-S657 VanDerWaalsContact O-N 3.12Å
658	F	98.4	Very high	97.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-116.6	150.6	-178.9	54.9	-83.7	0	0	0	111.2	L452 I656 T661 W689 Y708 C710 V722	L452-F658 HydrophobicContact CB-CB 4.14Å; I656-F658 HydrophobicContact CB-CE1 4.26Å; I656-F658 HydrophobicContact CG1-CE1 4.15Å; I656-F658 HydrophobicContact CG1-CZ 4.29Å; I656-F658 HydrophobicContact CG2-CD1 4Å; I656-F658 HydrophobicContact CG2-CD2 4.43Å; I656-F658 HydrophobicContact CG2-CE1 3.86Å; I656-F658 HydrophobicContact CG2-CE2 4.31Å; I656-F658 HydrophobicContact CG2-CG 4.29Å; I656-F658 HydrophobicContact CG2-CZ 4.03Å; F658-T661 HydrophobicContact CD2-CG2 4.04Å; F658-T661 HydrophobicContact CE2-CG2 3.72Å; F658-W689 AromaticContact CD2-CD1 3.96Å; F658-W689 AromaticContact CD2-NE1 3.87Å; F658-W689 AromaticContact CE2-CD1 3.64Å; F658-W689 WeakPolarHBondContact O-CZ2 3.29Å; F658-W689 PolarHBondContact O-NE1 3.33Å; F658-Y708 AromaticContact CE1-CD1 3.83Å; F658-Y708 HydrophobicContact CE1-CD1 3.83Å; F658-Y708 HydrophobicContact CE1-CD2 4.34Å; F658-Y708 AromaticContact CE1-CE1 3.96Å; F658-Y708 HydrophobicContact CE1-CE1 3.96Å; F658-Y708 HydrophobicContact CE1-CE2 4.39Å; F658-Y708 HydrophobicContact CE1-CG 4.07Å; F658-Y708 HydrophobicContact CZ-CD1 4.43Å; F658-Y708 HydrophobicContact CZ-CE1 4.13Å; F658-Y708 HydrophobicContact CZ-CE2 4.21Å; F658-C710 HydrophobicContact CD2-CB 3.95Å; F658-C710 HydrophobicContact CE2-CB 4.42Å; F658-V722 HydrophobicContact CE2-CG2 4.3Å
659	P	98.4	Very high	97.1	Very high	13 Å²	13	40.9 Å²	40.9	8%	0.084	21%	0.21	C	C	.	.			trans	-67.8	163.4	179.8	31	-37	0	0	0	111.9	L452 F629 T661 W689	L452-P659 HydrophobicContact CD1-CG 3.51Å; F629-P659 HydrophobicContact CE1-CB 3.77Å; F629-P659 HydrophobicContact CZ-CB 3.71Å; F629-P659 HydrophobicContact CZ-CG 4.37Å; P659-T661 PolarHBondContact O-N 3.32Å; P659-W689 VanDerWaalsContact C-NE1 3.29Å; P659-W689 PolarHBondContact O-NE1 2.84Å
660	P	98.6	Very high	97	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.245	C	C	.	.			trans	-51.9	130.8	178.6	-29.9	38	0	0	0	113.3	I624 Y662 Y664 Y672 P687 W689	I624-P660 HydrophobicContact CD1-CG 3.86Å; I624-P660 HydrophobicContact CG1-CG 4.27Å; P660-Y662 VanDerWaalsContact C-N 3.33Å; P660-Y664 WeakPolarHBondContact O-CE2 3.27Å; P660-Y664 PolarHBondContact O-OH 2.89Å; P660-Y672 HydrophobicContact CB-CE1 4.36Å; P660-Y672 WeakPolarHBondContact O-CE1 3.31Å; P660-Y672 PolarHBondContact O-OH 3Å; P660-P687 HydrophobicContact CB-CB 3.87Å; P660-P687 HydrophobicContact CG-CB 4.15Å; P660-W689 HydrophobicContact CB-CD2 4.43Å; P660-W689 HydrophobicContact CG-CD2 4.13Å; P660-W689 HydrophobicContact CG-CE3 4.35Å; P660-W689 HydrophobicContact CG-CH2 4.03Å; P660-W689 HydrophobicContact CG-CZ2 3.78Å; P660-W689 HydrophobicContact CG-CZ3 4.31Å
661	T	98.6	Very high	96.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.248	C	C	.	.			trans	-77.7	-22	-172.2	55.7	0	0	0	0	113.3	F658 P659 Y664 S688 D691 C710 H719 S720 V722	F658-T661 HydrophobicContact CD2-CG2 4.04Å; F658-T661 HydrophobicContact CE2-CG2 3.72Å; P659-T661 PolarHBondContact O-N 3.32Å; T661-Y664 WeakPolarHBondContact O-CD2 3.46Å; T661-Y664 WeakPolarHBondContact O-CE2 3.45Å; T661-S688 PolarHBondContact N-O 3.12Å; T661-D691 WeakPolarHBondContact CB-OD2 3.01Å; T661-D691 HydrophobicContact CG2-CB 4.41Å; T661-D691 PolarHBondContact OG1-N 3.28Å; T661-D691 PolarHBondContact OG1-OD2 2.82Å; T661-C710 HydrophobicContact CG2-CB 4.07Å; T661-H719 WeakPolarHBondContact O-CA 3.32Å; T661-S720 PolarHBondContact O-N 3.3Å; T661-V722 HydrophobicContact CG2-CG2 3.43Å; T661-V722 VanDerWaalsContact CG2-CG2 3.43Å
662	Y	98.3	Very high	96.8	Very high	18 Å²	18	46.7 Å²	46.7	7%	0.071	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-123.2	150.4	177.7	176.5	-102.8	0	0	0	108.6	R612 P660 N685 P687 S688 C690 H719	R612-Y662 VanDerWaalsContact CZ-CE1 3.5Å; R612-Y662 PolarHBondContact NH2-OH 3.19Å; P660-Y662 VanDerWaalsContact C-N 3.33Å; Y662-N685 HydrophobicContact CE1-CB 4.07Å; Y662-P687 CarbonylContact O-C 3.57Å; Y662-P687 WeakPolarHBondContact O-CA 3.23Å; Y662-S688 PolarHBondContact N-O 3Å; Y662-S688 VanDerWaalsContact N-O 3.16Å; Y662-S688 PolarHBondContact O-N 2.78Å; Y662-C690 VanDerWaalsContact CD1-SG 3.53Å; Y662-H719 AromaticContact CD2-CD2 3.59Å; Y662-H719 AromaticContact CD2-CE1 3.42Å; Y662-H719 VanDerWaalsContact CD2-CE1 3.42Å; Y662-H719 WeakPolarHBondContact CD2-CE1 3.34Å; Y662-H719 AromaticContact CD2-CG 3.96Å; Y662-H719 AromaticContact CD2-ND1 3.86Å; Y662-H719 AromaticContact CD2-NE2 3.19Å; Y662-H719 WeakPolarHBondContact CD2-NE2 3.45Å; Y662-H719 AromaticContact CE2-CE1 3.99Å; Y662-H719 AromaticContact CE2-NE2 3.45Å; Y662-H719 WeakPolarHBondContact CE2-NE2 3.44Å
663	R	96.4	Very high	96.4	Very high	38 Å²	38	44.7 Å²	44.7	14%	0.143	24%	0.236	C	C	.	.			cis	-113	113.6	-7.8	-171.6	177.2	-178	-106.4	-14.8	109.7	Y672 A673 D718	R663-Y672 CarbonylContact O-C 3.5Å; R663-Y672 VanDerWaalsContact O-CA 3.22Å; R663-Y672 WeakPolarHBondContact O-CA 3.22Å; R663-Y672 WeakPolarHBondContact O-CD1 3.2Å; R663-A673 WeakPolarHBondContact CD-O 3.42Å; R663-A673 HydrophobicContact CG-CB 4.32Å; R663-A673 PolarHBondContact NH1-O 2.94Å; R663-A673 PolarHBondContact O-N 3.4Å; R663-D718 CarbonylContact C-O 3.59Å; R663-D718 WeakPolarHBondContact CA-O 3.46Å; R663-D718 HydrophobicContact CG-CB 3.97Å; R663-D718 IonicContact CZ-OD2 2.8Å; R663-D718 IonicContact NE-OD2 2.79Å; R663-D718 PolarHBondContact NE-OD2 2.82Å; R663-D718 IonicContact NH2-OD2 2.79Å; R663-D718 PolarHBondContact NH2-OD2 2.92Å
664	Y	97	Very high	95.8	Very high	9 Å²	9	46.9 Å²	46.9	4%	0.035	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-84.5	161.1	178.1	-70.8	-75.3	0	0	0	112.8	P660 T661 R669 Y672 D718	P660-Y664 WeakPolarHBondContact O-CE2 3.27Å; P660-Y664 PolarHBondContact O-OH 2.89Å; T661-Y664 WeakPolarHBondContact O-CD2 3.46Å; T661-Y664 WeakPolarHBondContact O-CE2 3.45Å; Y664-R669 VanDerWaalsContact CB-CZ 3.42Å; Y664-R669 VanDerWaalsContact CB-NH2 3.31Å; Y664-R669 HydrophobicContact CD1-CB 4.24Å; Y664-R669 HydrophobicContact CE1-CB 4.04Å; Y664-R669 VanDerWaalsContact CE1-O 3.22Å; Y664-R669 WeakPolarHBondContact CE1-O 3.35Å; Y664-Y672 HydrophobicContact CD1-CD1 4.23Å; Y664-Y672 HydrophobicContact CD1-CE1 4.09Å; Y664-Y672 HydrophobicContact CE1-CD1 4.29Å; Y664-Y672 HydrophobicContact CE1-CD2 4.46Å; Y664-Y672 AromaticContact CE1-CE1 3.73Å; Y664-Y672 HydrophobicContact CE1-CE1 3.73Å; Y664-Y672 AromaticContact CE1-CE2 3.93Å; Y664-Y672 HydrophobicContact CE1-CE2 3.93Å; Y664-Y672 AromaticContact CE1-CZ 3.55Å; Y664-Y672 HydrophobicContact CE2-CE1 4.2Å; Y664-Y672 HydrophobicContact CG-CE1 4.48Å; Y664-Y672 AromaticContact CZ-CE1 3.8Å; Y664-Y672 AromaticContact CZ-CZ 3.66Å; Y664-Y672 PolarHBondContact OH-OH 2.73Å; Y664-D718 PolarHBondContact N-O 2.8Å; Y664-D718 WeakPolarHBondContact O-CB 3.18Å
665	E	95.4	Very high	95.1	Very high	98 Å²	98	50 Å²	50	46%	0.458	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-70.6	154.7	156.3	-68.2	-172.9	166.9	0	0	110.4	R669 T671 A673	E665-R669 PolarHBondContact O-NH2 2.8Å; E665-T671 HydrophobicContact CG-CG2 4.14Å; E665-T671 PolarHBondContact N-O 2.89Å; E665-A673 HydrophobicContact CG-CB 3.73Å
666	R	95.3	Very high	94.1	Very high	113 Å²	113	46.8 Å²	46.8	43%	0.426	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	135.3	-179.5	-67	-178.7	-180	-161.4	3.8	109.6	G435 V437 T716 D718	G435-R666 PolarHBondContact O-NH1 3.04Å; G435-R666 PolarHBondContact O-NH2 2.91Å; V437-R666 VanDerWaalsContact CG1-NH1 3.28Å; R666-T716 VanDerWaalsContact CD-O 3.26Å; R666-T716 WeakPolarHBondContact CD-O 3.19Å; R666-T716 WeakPolarHBondContact CG-O 3.42Å; R666-D718 HydrophobicContact CG-CB 4.33Å; R666-D718 IonicContact CZ-OD1 2.88Å; R666-D718 IonicContact NE-OD1 2.77Å; R666-D718 PolarHBondContact NE-OD1 3.35Å; R666-D718 IonicContact NH2-OD1 2.99Å; R666-D718 PolarHBondContact NH2-OD1 3.15Å
667	G	95.3	Very high	92.8	Very high	57 Å²	57	54.5 Å²	54.5	59%	0.588	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.6	-10	-175	0	0	0	0	0	115.5	V715	G667-V715 PolarHBondContact N-O 3Å
668	S	93.5	Very high	91.4	Very high	31 Å²	31	56.7 Å²	56.7	22%	0.217	28%	0.281	C	S	.	.			trans	-148.5	162	178	156.2	0	0	0	0	110.4	D670	S668-D670 WeakPolarHBondContact OG-CB 3.27Å; S668-D670 VanDerWaalsContact OG-CG 3.28Å; S668-D670 PolarHBondContact OG-N 2.9Å; S668-D670 PolarHBondContact OG-OD2 3.41Å
669	R	95.8	Very high	89.8	Confident	30 Å²	30	63.6 Å²	63.6	11%	0.113	33%	0.326	C	S	.	.	S	Bend	trans	-112.6	4.8	166.6	-59.4	-66.3	80.4	151.5	4.5	113	Y664 E665 T671 D712 I714 V715 S717 H719 S720	Y664-R669 VanDerWaalsContact CB-CZ 3.42Å; Y664-R669 VanDerWaalsContact CB-NH2 3.31Å; Y664-R669 HydrophobicContact CD1-CB 4.24Å; Y664-R669 HydrophobicContact CE1-CB 4.04Å; Y664-R669 VanDerWaalsContact CE1-O 3.22Å; Y664-R669 WeakPolarHBondContact CE1-O 3.35Å; E665-R669 PolarHBondContact O-NH2 2.8Å; R669-T671 VanDerWaalsContact C-N 3.35Å; R669-D712 WeakPolarHBondContact CG-O 3.33Å; R669-I714 PolarHBondContact NH1-O 2.86Å; R669-V715 HydrophobicContact CG-CG1 3.98Å; R669-S717 PolarHBondContact NH1-O 2.84Å; R669-S717 PolarHBondContact NH2-O 2.59Å; R669-H719 PolarHBondContact NH1-O 3.25Å; R669-S720 WeakPolarHBondContact CD-OG 3.46Å; R669-S720 PolarHBondContact NH1-OG 2.77Å
670	D	92.9	Very high	88.2	Confident	146 Å²	146	69.3 Å²	69.3	78%	0.781	36%	0.361	S	S	*	.	S	Bend	trans	-75.9	-25.7	-175.4	-48.6	-67.1	0	0	0	112.1	S668	S668-D670 WeakPolarHBondContact OG-CB 3.27Å; S668-D670 VanDerWaalsContact OG-CG 3.28Å; S668-D670 PolarHBondContact OG-N 2.9Å; S668-D670 PolarHBondContact OG-OD2 3.41Å
671	T	93.3	Very high	86.8	Confident	65 Å²	65	71.3 Å²	71.3	40%	0.399	38%	0.381	S	S	.	.	S	Bend	trans	-128.1	136.7	-172.9	-58.8	0	0	0	0	112.5	E665 R669	E665-T671 HydrophobicContact CG-CG2 4.14Å; E665-T671 PolarHBondContact N-O 2.89Å; R669-T671 VanDerWaalsContact C-N 3.35Å
672	Y	95.6	Very high	85.4	Confident	21 Å²	21	75.7 Å²	75.7	8%	0.082	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-94.4	126.8	174	-76.5	-86.8	0	0	0	111.7	L621 I624 P660 R663 Y664 W674 P687	L621-Y672 HydrophobicContact CD2-CD2 4.23Å; I624-Y672 HydrophobicContact CD1-CE2 4.1Å; I624-Y672 HydrophobicContact CG2-CE2 4.02Å; P660-Y672 HydrophobicContact CB-CE1 4.36Å; P660-Y672 WeakPolarHBondContact O-CE1 3.31Å; P660-Y672 PolarHBondContact O-OH 3Å; R663-Y672 CarbonylContact O-C 3.5Å; R663-Y672 VanDerWaalsContact O-CA 3.22Å; R663-Y672 WeakPolarHBondContact O-CA 3.22Å; R663-Y672 WeakPolarHBondContact O-CD1 3.2Å; Y664-Y672 HydrophobicContact CD1-CD1 4.23Å; Y664-Y672 HydrophobicContact CD1-CE1 4.09Å; Y664-Y672 HydrophobicContact CE1-CD1 4.29Å; Y664-Y672 HydrophobicContact CE1-CD2 4.46Å; Y664-Y672 AromaticContact CE1-CE1 3.73Å; Y664-Y672 HydrophobicContact CE1-CE1 3.73Å; Y664-Y672 AromaticContact CE1-CE2 3.93Å; Y664-Y672 HydrophobicContact CE1-CE2 3.93Å; Y664-Y672 AromaticContact CE1-CZ 3.55Å; Y664-Y672 HydrophobicContact CE2-CE1 4.2Å; Y664-Y672 HydrophobicContact CG-CE1 4.48Å; Y664-Y672 AromaticContact CZ-CE1 3.8Å; Y664-Y672 AromaticContact CZ-CZ 3.66Å; Y664-Y672 PolarHBondContact OH-OH 2.73Å; Y672-W674 VanDerWaalsContact C-N 3.3Å; Y672-W674 PolarHBondContact O-N 3.16Å; Y672-P687 HydrophobicContact CD1-CB 3.82Å; Y672-P687 HydrophobicContact CD1-CG 3.73Å; Y672-P687 HydrophobicContact CD2-CG 4.3Å; Y672-P687 HydrophobicContact CE1-CB 3.83Å; Y672-P687 HydrophobicContact CE1-CG 4.21Å; Y672-P687 HydrophobicContact CG-CB 4.32Å; Y672-P687 HydrophobicContact CG-CG 3.77Å
673	A	91.9	Very high	84.3	Confident	14 Å²	14	77.8 Å²	77.8	12%	0.116	42%	0.416	C	S	.	.			trans	-84.5	58.5	-178.3	0	0	0	0	0	112.8	R663 E665	R663-A673 WeakPolarHBondContact CD-O 3.42Å; R663-A673 HydrophobicContact CG-CB 4.32Å; R663-A673 PolarHBondContact NH1-O 2.94Å; R663-A673 PolarHBondContact O-N 3.4Å; E665-A673 HydrophobicContact CG-CB 3.73Å
674	W	85.5	Confident	83.6	Confident	76 Å²	76	78.9 Å²	78.9	29%	0.288	43%	0.426	S	S	.	.			trans	-72.8	-32.2	-168.7	56.6	-91.4	0	0	0	114.8	I617 Y672 T684 N685	I617-W674 HydrophobicContact CB-CE3 4.43Å; I617-W674 HydrophobicContact CD1-CB 3.64Å; I617-W674 HydrophobicContact CD1-CD2 3.99Å; I617-W674 HydrophobicContact CD1-CE3 4.43Å; I617-W674 HydrophobicContact CD1-CG 3.62Å; I617-W674 HydrophobicContact CG1-CB 4.26Å; I617-W674 HydrophobicContact CG1-CD2 3.6Å; I617-W674 HydrophobicContact CG1-CE3 3.78Å; I617-W674 HydrophobicContact CG1-CG 3.82Å; I617-W674 HydrophobicContact CG1-CZ2 4.49Å; I617-W674 HydrophobicContact CG1-CZ3 4.26Å; I617-W674 HydrophobicContact CG2-CE3 4.33Å; I617-W674 HydrophobicContact CG2-CH2 4.46Å; I617-W674 HydrophobicContact CG2-CZ3 4.09Å; Y672-W674 VanDerWaalsContact C-N 3.3Å; Y672-W674 PolarHBondContact O-N 3.16Å; W674-T684 HydrophobicContact CE3-CG2 4.22Å; W674-T684 CarbonylContact O-C 3.6Å; W674-T684 WeakPolarHBondContact O-CA 3.31Å; W674-N685 WeakPolarHBondContact CA-O 3.39Å; W674-N685 PolarHBondContact O-N 3.13Å
675	H	83.8	Confident	83.1	Confident	110 Å²	110	78.8 Å²	78.8	51%	0.509	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	121.5	169	-84.3	-42.6	0	0	0	110.9	V682	H675-V682 HydrophobicContact CB-CG1 4.44Å; H675-V682 WeakPolarHBondContact ND1-CG1 3.22Å
676	K	75.7	Confident	83	Confident	83 Å²	83	74.5 Å²	74.5	36%	0.361	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	104.6	167.9	-171.9	161	-173.7	162	0	110.5	R683 N685	K676-R683 WeakPolarHBondContact CB-O 3.32Å; K676-R683 PolarHBondContact N-O 3.24Å; K676-R683 PolarHBondContact O-N 3.3Å; K676-N685 WeakPolarHBondContact CB-ND2 3.24Å
677	Q	71.1	Confident	83.1	Confident	172 Å²	172	69.1 Å²	69.1	80%	0.804	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.4	140.1	168	-64.6	180	-0.1	0	0	110.1
678	K	68.8	Low	83.3	Confident	96 Å²	96	66.4 Å²	66.4	42%	0.417	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	162.1	170	-68.1	-170.8	173.4	-168.3	0	109	T680 G681	K678-T680 PolarHBondContact O-N 3.05Å; K678-T680 VanDerWaalsContact O-N 3.1Å; K678-G681 WeakPolarHBondContact CB-O 3.42Å; K678-G681 PolarHBondContact N-O 3.35Å; K678-G681 PolarHBondContact O-N 3.05Å
679	P	65.7	Low	83.5	Confident	146 Å²	146	64.9 Å²	64.9	95%	0.948	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-24.6	170.4	-26.4	35.8	0	0	0	113.9	G681	P679-G681 VanDerWaalsContact C-N 3.34Å
680	T	63.3	Low	83.7	Confident	133 Å²	133	63.5 Å²	63.5	82%	0.816	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	26.5	176.9	67.4	0	0	0	0	113.1	K678	K678-T680 PolarHBondContact O-N 3.05Å; K678-T680 VanDerWaalsContact O-N 3.1Å
681	G	70.2	Confident	84	Confident	42 Å²	42	56.5 Å²	56.5	43%	0.433	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	94.3	-177.1	-178.1	0	0	0	0	0	115.2	K678 P679	K678-G681 WeakPolarHBondContact CB-O 3.42Å; K678-G681 PolarHBondContact N-O 3.35Å; K678-G681 PolarHBondContact O-N 3.05Å; P679-G681 VanDerWaalsContact C-N 3.34Å
682	V	68.8	Low	84.2	Confident	92 Å²	92	53.4 Å²	53.4	56%	0.558	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	125.1	-178.5	-178.7	0	0	0	0	110.3	H675	H675-V682 HydrophobicContact CB-CG1 4.44Å; H675-V682 WeakPolarHBondContact ND1-CG1 3.22Å
683	R	75.3	Confident	84.4	Confident	62 Å²	62	52.5 Å²	52.5	23%	0.234	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.6	172.6	179.4	177	170.5	115.2	14	110.4	E568 K676 N685	E568-R683 IonicContact OE1-CZ 3.99Å; E568-R683 IonicContact OE1-NH1 2.65Å; E568-R683 PolarHBondContact OE1-NH1 3.46Å; E568-R683 IonicContact OE1-NH2 3.62Å; E568-R683 PolarHBondContact OE1-NH2 2.8Å; E568-R683 IonicContact OE2-CZ 2.69Å; E568-R683 IonicContact OE2-NH1 2.98Å; E568-R683 PolarHBondContact OE2-NH1 3.1Å; E568-R683 IonicContact OE2-NH2 2.74Å; E568-R683 PolarHBondContact OE2-NH2 2.74Å; K676-R683 WeakPolarHBondContact CB-O 3.32Å; K676-R683 PolarHBondContact N-O 3.24Å; K676-R683 PolarHBondContact O-N 3.3Å; R683-N685 PolarHBondContact NE-OD1 3.31Å; R683-N685 PolarHBondContact O-ND2 3.22Å
684	T	81.6	Confident	84.7	Confident	60 Å²	60	51.8 Å²	51.8	37%	0.368	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	132.4	167.3	-57.1	0	0	0	0	110.2	W674 V686	W674-T684 HydrophobicContact CE3-CG2 4.22Å; W674-T684 CarbonylContact O-C 3.6Å; W674-T684 WeakPolarHBondContact O-CA 3.31Å; T684-V686 HydrophobicContact CG2-CG1 3.78Å
685	N	85.9	Confident	85.4	Confident	7 Å²	7	49.5 Å²	49.5	4%	0.037	27%	0.269	C	S	.	.			trans	-126.4	92	165.7	-59.3	-84.7	0	0	0	105.9	R612 Y662 W674 K676 R683	R612-N685 PolarHBondContact NH1-OD1 3.17Å; Y662-N685 HydrophobicContact CE1-CB 4.07Å; W674-N685 WeakPolarHBondContact CA-O 3.39Å; W674-N685 PolarHBondContact O-N 3.13Å; K676-N685 WeakPolarHBondContact CB-ND2 3.24Å; R683-N685 PolarHBondContact NE-OD1 3.31Å; R683-N685 PolarHBondContact O-ND2 3.22Å
686	V	94.3	Very high	86.1	Confident	8 Å²	8	45.2 Å²	45.2	5%	0.048	25%	0.249	C	C	.	.			trans	-58.4	156	179.1	-57.7	0	0	0	0	111.2	L613 I617 I620 T684 S688	L613-V686 HydrophobicContact CB-CG2 4.29Å; I617-V686 HydrophobicContact CB-CG1 4.18Å; I617-V686 HydrophobicContact CD1-CB 4.38Å; I617-V686 HydrophobicContact CD1-CG1 4.32Å; I620-V686 HydrophobicContact CD1-CB 3.63Å; I620-V686 HydrophobicContact CD1-CG1 4.04Å; I620-V686 HydrophobicContact CD1-CG2 3.75Å; T684-V686 HydrophobicContact CG2-CG1 3.78Å; V686-S688 PolarHBondContact O-N 2.68Å; V686-S688 PolarHBondContact O-OG 2.85Å
687	P	97.8	Very high	87.2	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.242	C	C	.	.			trans	-50.4	139.4	169.3	-26.6	34.1	0	0	0	111.5	L613 I617 I620 L621 I624 P660 Y662 Y672	L613-P687 WeakPolarHBondContact CD1-O 3.3Å; L613-P687 WeakPolarHBondContact CG-O 3.45Å; I617-P687 HydrophobicContact CD1-CG 4.26Å; I620-P687 HydrophobicContact CG2-CB 3.79Å; I620-P687 HydrophobicContact CG2-CG 3.78Å; L621-P687 HydrophobicContact CD2-CG 4.17Å; I624-P687 HydrophobicContact CD1-CB 3.67Å; I624-P687 HydrophobicContact CD1-CG 3.95Å; P660-P687 HydrophobicContact CB-CB 3.87Å; P660-P687 HydrophobicContact CG-CB 4.15Å; Y662-P687 CarbonylContact O-C 3.57Å; Y662-P687 WeakPolarHBondContact O-CA 3.23Å; Y672-P687 HydrophobicContact CD1-CB 3.82Å; Y672-P687 HydrophobicContact CD1-CG 3.73Å; Y672-P687 HydrophobicContact CD2-CG 4.3Å; Y672-P687 HydrophobicContact CE1-CB 3.83Å; Y672-P687 HydrophobicContact CE1-CG 4.21Å; Y672-P687 HydrophobicContact CG-CB 4.32Å; Y672-P687 HydrophobicContact CG-CG 3.77Å
688	S	98.4	Very high	88.4	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-157.7	149.8	-176.2	-66.9	0	0	0	0	112.8	R612 L613 T661 Y662 V686 C690	R612-S688 VanDerWaalsContact CA-OG 3.29Å; R612-S688 WeakPolarHBondContact CA-OG 3.27Å; R612-S688 WeakPolarHBondContact CD-OG 3.27Å; L613-S688 PolarHBondContact N-OG 3.19Å; L613-S688 VanDerWaalsContact N-OG 3.1Å; T661-S688 PolarHBondContact N-O 3.12Å; Y662-S688 PolarHBondContact N-O 3Å; Y662-S688 VanDerWaalsContact N-O 3.16Å; Y662-S688 PolarHBondContact O-N 2.78Å; V686-S688 PolarHBondContact O-N 2.68Å; V686-S688 PolarHBondContact O-OG 2.85Å; S688-C690 VanDerWaalsContact C-N 3.26Å; S688-C690 PolarHBondContact O-N 2.86Å; S688-C690 VanDerWaalsContact O-N 3.09Å
689	W	98.8	Very high	89.7	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.204	C	C	.	.			trans	-82.9	73.2	169.2	-67.6	-80.3	0	0	0	110	L613 F629 L632 L633 I656 F658 P659 P660 R692	L613-W689 HydrophobicContact CD1-CZ3 4.31Å; L613-W689 HydrophobicContact CD2-CE3 3.84Å; L613-W689 HydrophobicContact CD2-CZ3 3.83Å; F629-W689 HydrophobicContact CB-CH2 3.96Å; F629-W689 HydrophobicContact CB-CZ2 4.03Å; F629-W689 HydrophobicContact CD1-CH2 4.48Å; F629-W689 HydrophobicContact CD1-CZ2 4.22Å; F629-W689 HydrophobicContact CG-CH2 4.45Å; F629-W689 HydrophobicContact CG-CZ2 4.14Å; L632-W689 HydrophobicContact CB-CH2 3.74Å; L632-W689 HydrophobicContact CB-CZ3 3.65Å; L632-W689 HydrophobicContact CD1-CH2 4.16Å; L633-W689 HydrophobicContact CD2-CD2 4.17Å; L633-W689 HydrophobicContact CD2-CE3 3.75Å; L633-W689 HydrophobicContact CD2-CH2 3.84Å; L633-W689 HydrophobicContact CD2-CZ2 4.25Å; L633-W689 HydrophobicContact CD2-CZ3 3.57Å; L633-W689 HydrophobicContact CG-CH2 3.97Å; L633-W689 HydrophobicContact CG-CZ3 3.97Å; I656-W689 HydrophobicContact CD1-CG 4.5Å; I656-W689 HydrophobicContact CG2-CD2 4.14Å; I656-W689 HydrophobicContact CG2-CG 4.23Å; I656-W689 HydrophobicContact CG2-CZ2 4.05Å; I656-W689 VanDerWaalsContact CG2-NE1 3.3Å; F658-W689 AromaticContact CD2-CD1 3.96Å; F658-W689 AromaticContact CD2-NE1 3.87Å; F658-W689 AromaticContact CE2-CD1 3.64Å; F658-W689 WeakPolarHBondContact O-CZ2 3.29Å; F658-W689 PolarHBondContact O-NE1 3.33Å; P659-W689 VanDerWaalsContact C-NE1 3.29Å; P659-W689 PolarHBondContact O-NE1 2.84Å; P660-W689 HydrophobicContact CB-CD2 4.43Å; P660-W689 HydrophobicContact CG-CD2 4.13Å; P660-W689 HydrophobicContact CG-CE3 4.35Å; P660-W689 HydrophobicContact CG-CH2 4.03Å; P660-W689 HydrophobicContact CG-CZ2 3.78Å; P660-W689 HydrophobicContact CG-CZ3 4.31Å; W689-R692 WeakPolarHBondContact O-CD 3.48Å; W689-R692 PolarHBondContact O-NH1 3.28Å; W689-R692 VanDerWaalsContact O-NH1 3.09Å
690	C	98.8	Very high	91.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.178	C	C	.	.			trans	-71.9	-36.7	177.1	-68.8	0	0	0	0	112	D608 L609 N610 Y662 S688	D608-C690 CarbonylContact C-O 3.5Å; D608-C690 WeakPolarHBondContact OD1-CB 3.49Å; L609-C690 PolarHBondContact N-O 2.9Å; N610-C690 PolarHBondContact N-O 3.07Å; Y662-C690 VanDerWaalsContact CD1-SG 3.53Å; S688-C690 VanDerWaalsContact C-N 3.26Å; S688-C690 PolarHBondContact O-N 2.86Å; S688-C690 VanDerWaalsContact O-N 3.09Å
691	D	98.9	Very high	92.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	117.9	-173.3	-48.2	-97.7	0	0	0	109.5	T431 G607 T661 H719 V722	T431-D691 HydrophobicContact CG2-CB 4.34Å; G607-D691 WeakPolarHBondContact O-CA 3.22Å; T661-D691 WeakPolarHBondContact CB-OD2 3.01Å; T661-D691 HydrophobicContact CG2-CB 4.41Å; T661-D691 PolarHBondContact OG1-N 3.28Å; T661-D691 PolarHBondContact OG1-OD2 2.82Å; D691-H719 IonicContact OD1-CE1 2.98Å; D691-H719 IonicContact OD1-CG 3.57Å; D691-H719 IonicContact OD1-ND1 3.16Å; D691-H719 PolarHBondContact OD1-ND1 3.38Å; D691-H719 VanDerWaalsContact OD1-ND1 3.12Å; D691-H719 IonicContact OD2-CE1 2.73Å; D691-H719 IonicContact OD2-CG 3.87Å; D691-H719 IonicContact OD2-ND1 3.68Å; D691-H719 PolarHBondContact OD2-ND1 3.05Å; D691-V722 HydrophobicContact CB-CB 4.41Å; D691-V722 HydrophobicContact CB-CG2 3.72Å
692	R	98.9	Very high	93.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	157.7	-167	-53	-69.6	-88.1	-94.8	0.5	113.1	F606 G607 L609 D636 L638 N639 E653 W689 L694 Y708	F606-R692 WeakPolarHBondContact CA-O 3.45Å; F606-R692 VanDerWaalsContact CB-O 3.32Å; F606-R692 WeakPolarHBondContact CB-O 3.4Å; G607-R692 PolarHBondContact N-O 3.32Å; G607-R692 VanDerWaalsContact N-O 3.12Å; G607-R692 PolarHBondContact O-N 2.86Å; L609-R692 HydrophobicContact CB-CG 4.49Å; L609-R692 HydrophobicContact CD1-CB 3.69Å; L609-R692 HydrophobicContact CD1-CG 4.09Å; L609-R692 HydrophobicContact CG-CB 4.02Å; L609-R692 HydrophobicContact CG-CG 4.29Å; D636-R692 IonicContact OD1-NH1 2.64Å; D636-R692 PolarHBondContact OD1-NH1 3.49Å; D636-R692 IonicContact OD2-CZ 2.92Å; D636-R692 IonicContact OD2-NH1 2.69Å; D636-R692 PolarHBondContact OD2-NH1 3.49Å; D636-R692 IonicContact OD2-NH2 2.69Å; D636-R692 PolarHBondContact OD2-NH2 2.82Å; L638-R692 HydrophobicContact CD2-CG 4.09Å; N639-R692 PolarHBondContact OD1-NH2 3.23Å; E653-R692 IonicContact OE1-CZ 3.77Å; E653-R692 IonicContact OE1-NE 3.22Å; E653-R692 PolarHBondContact OE1-NE 3Å; E653-R692 IonicContact OE1-NH2 2.79Å; E653-R692 IonicContact OE2-CZ 2.69Å; E653-R692 IonicContact OE2-NE 2.75Å; E653-R692 IonicContact OE2-NH2 3.92Å; E653-R692 PolarHBondContact OE2-NH2 3.04Å; W689-R692 WeakPolarHBondContact O-CD 3.48Å; W689-R692 PolarHBondContact O-NH1 3.28Å; W689-R692 VanDerWaalsContact O-NH1 3.09Å; R692-L694 HydrophobicContact CB-CD1 4Å; R692-Y708 WeakPolarHBondContact CA-OH 3.22Å
693	I	98.9	Very high	94.9	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	116.8	173.7	-55.1	172.7	0	0	0	109.4	I429 T431 F606 Y708 V722 G724 F726	I429-I693 HydrophobicContact CB-CD1 4.31Å; I429-I693 HydrophobicContact CB-CG2 4.43Å; I429-I693 HydrophobicContact CD1-CG2 4.49Å; I429-I693 HydrophobicContact CG2-CD1 4.08Å; I429-I693 HydrophobicContact CG2-CG1 4.38Å; I429-I693 HydrophobicContact CG2-CG2 4.14Å; I429-I693 WeakPolarHBondContact O-CD1 3.44Å; T431-I693 HydrophobicContact CG2-CG1 4.05Å; F606-I693 HydrophobicContact CB-CB 4.26Å; F606-I693 HydrophobicContact CB-CG1 3.89Å; F606-I693 HydrophobicContact CB-CG2 4.3Å; I693-Y708 HydrophobicContact CB-CD2 4.48Å; I693-Y708 HydrophobicContact CB-CE2 3.79Å; I693-Y708 HydrophobicContact CD1-CD2 4.46Å; I693-Y708 HydrophobicContact CD1-CE2 4.22Å; I693-Y708 HydrophobicContact CG1-CE2 4.06Å; I693-Y708 PolarHBondContact N-OH 2.92Å; I693-V722 HydrophobicContact CD1-CG1 3.99Å; I693-V722 HydrophobicContact CG1-CG1 4.23Å; I693-G724 VanDerWaalsContact CD1-N 3.32Å; I693-F726 HydrophobicContact CG2-CE2 4.12Å; I693-F726 HydrophobicContact CG2-CZ 4.1Å
694	L	98.9	Very high	95.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	158.6	177.3	-61.6	94.1	0	0	0	110.4	W605 L609 L638 F648 F651 S652 E653 R692	W605-L694 PolarHBondContact N-O 3.35Å; W605-L694 PolarHBondContact O-N 3.42Å; L609-L694 HydrophobicContact CD1-CD1 3.6Å; L638-L694 HydrophobicContact CD2-CD1 4.13Å; L638-L694 HydrophobicContact CD2-CD2 4.47Å; F648-L694 HydrophobicContact CB-CD2 4.22Å; F648-L694 HydrophobicContact CD1-CD2 4.23Å; F648-L694 HydrophobicContact CG-CD2 4.15Å; F651-L694 HydrophobicContact CB-CB 4.46Å; F651-L694 HydrophobicContact CB-CD2 4.44Å; F651-L694 HydrophobicContact CD1-CB 4.28Å; S652-L694 VanDerWaalsContact O-CA 3.32Å; S652-L694 WeakPolarHBondContact O-CA 3.34Å; S652-L694 WeakPolarHBondContact O-CB 3.42Å; E653-L694 HydrophobicContact CB-CD2 4.14Å; E653-L694 HydrophobicContact CB-CG 4.05Å; E653-L694 HydrophobicContact CG-CG 4.29Å; R692-L694 HydrophobicContact CB-CD1 4Å
695	W	98.9	Very high	96.4	Very high	28 Å²	28	20.6 Å²	20.6	11%	0.106	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	153.9	175.2	69.7	98.8	0	0	0	112.9	L603 F604 F651 S652 E654 I703 C705 F726	L603-W695 CarbonylContact O-C 3.54Å; L603-W695 VanDerWaalsContact O-CA 3.26Å; L603-W695 WeakPolarHBondContact O-CA 3.46Å; F604-W695 HydrophobicContact CD1-CB 3.6Å; F604-W695 HydrophobicContact CE1-CB 3.83Å; F604-W695 HydrophobicContact CE1-CG 4.39Å; F604-W695 HydrophobicContact CG-CB 4.4Å; F651-W695 CarbonylContact C-O 3.46Å; F651-W695 WeakPolarHBondContact CA-O 3.39Å; S652-W695 PolarHBondContact N-O 3.34Å; S652-W695 PolarHBondContact O-N 3.24Å; E654-W695 HydrophobicContact CB-CH2 3.97Å; E654-W695 HydrophobicContact CB-CZ3 4.07Å; W695-I703 HydrophobicContact CG-CD1 4.23Å; W695-C705 HydrophobicContact CH2-CB 4.04Å; W695-C705 HydrophobicContact CZ2-CB 4.47Å; W695-F726 AromaticContact CD2-CE1 3.78Å; W695-F726 HydrophobicContact CD2-CE1 3.78Å; W695-F726 HydrophobicContact CD2-CZ 4.38Å; W695-F726 AromaticContact CE3-CE1 3.51Å; W695-F726 HydrophobicContact CE3-CE1 3.51Å; W695-F726 AromaticContact CE3-CZ 3.8Å; W695-F726 HydrophobicContact CE3-CZ 3.8Å; W695-F726 HydrophobicContact CG-CE1 4.42Å; W695-F726 HydrophobicContact CH2-CE1 4.23Å; W695-F726 HydrophobicContact CZ2-CE1 4.44Å; W695-F726 AromaticContact CZ3-CE1 3.75Å; W695-F726 HydrophobicContact CZ3-CE1 3.75Å; W695-F726 HydrophobicContact CZ3-CZ 4.13Å
696	K	98.6	Very high	96.6	Very high	20 Å²	20	21.4 Å²	21.4	9%	0.087	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.1	168	-171.9	-179.6	177.7	-159.3	0	107.4	S597 L603 F651	S597-K696 VanDerWaalsContact CB-NZ 3.33Å; S597-K696 WeakPolarHBondContact O-CD 3.35Å; S597-K696 VanDerWaalsContact O-CE 3.27Å; S597-K696 WeakPolarHBondContact O-CE 3.32Å; S597-K696 PolarHBondContact O-NZ 2.87Å; S597-K696 PolarHBondContact OG-NZ 3.01Å; L603-K696 PolarHBondContact N-O 2.97Å; L603-K696 PolarHBondContact O-N 2.79Å; F651-K696 HydrophobicContact CD1-CB 3.79Å; F651-K696 HydrophobicContact CD2-CB 4.16Å; F651-K696 HydrophobicContact CD2-CD 4.11Å; F651-K696 HydrophobicContact CE1-CB 3.85Å; F651-K696 HydrophobicContact CE2-CB 4.23Å; F651-K696 HydrophobicContact CE2-CD 3.89Å; F651-K696 HydrophobicContact CG-CB 3.96Å; F651-K696 HydrophobicContact CZ-CB 4.08Å; F651-K696 HydrophobicContact CZ-CD 4.29Å
697	S	98.4	Very high	96.7	Very high	32 Å²	32	21 Å²	21	22%	0.224	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	157.8	-179.4	-57.2	0	0	0	0	110.7	T601 H602	T601-S697 CarbonylContact O-C 3.6Å; T601-S697 WeakPolarHBondContact O-CA 3.3Å; T601-S697 WeakPolarHBondContact O-CB 3.18Å; H602-S697 WeakPolarHBondContact ND1-CB 3.45Å; H602-S697 PolarHBondContact ND1-OG 2.84Å
698	Y	98	Very high	96.7	Very high	20 Å²	20	21.1 Å²	21.1	8%	0.078	11%	0.111	C	C	.	.			trans	-64.7	150.5	176.7	-70.6	-5.1	0	0	0	111.4	L598 R599 F600 T601 T701 H821 L823 V839	L598-Y698 PolarHBondContact O-OH 2.97Å; R599-Y698 VanDerWaalsContact C-OH 3.27Å; R599-Y698 PolarHBondContact O-OH 3.01Å; F600-Y698 PolarHBondContact N-OH 2.63Å; F600-Y698 WeakPolarHBondContact O-CD1 3.29Å; F600-Y698 WeakPolarHBondContact O-CE1 3.38Å; T601-Y698 HydrophobicContact CG2-CD2 4.09Å; T601-Y698 HydrophobicContact CG2-CG 4.48Å; T601-Y698 PolarHBondContact O-N 3.12Å; Y698-T701 WeakPolarHBondContact O-CB 3.45Å; Y698-T701 WeakPolarHBondContact O-CG2 3.19Å; Y698-T701 PolarHBondContact O-N 2.83Å; Y698-T701 PolarHBondContact O-OG1 2.95Å; Y698-H821 HydrophobicContact CD2-CB 3.84Å; Y698-H821 AromaticContact CD2-CG 3.53Å; Y698-H821 AromaticContact CD2-ND1 3.53Å; Y698-H821 HydrophobicContact CE2-CB 4.22Å; Y698-L823 HydrophobicContact CE2-CD1 4.31Å; Y698-V839 HydrophobicContact CD1-CG1 4.28Å; Y698-V839 HydrophobicContact CD1-CG2 4.09Å; Y698-V839 HydrophobicContact CD2-CG2 4.32Å; Y698-V839 HydrophobicContact CE1-CG2 4.37Å; Y698-V839 HydrophobicContact CG-CG2 4.07Å
699	P	96.1	Very high	96.7	Very high	51 Å²	51	21.1 Å²	21.1	33%	0.331	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	150.9	179	22.4	-32.3	0	0	0	112.2	T701 H821 V839 A841	P699-T701 PolarHBondContact O-N 2.93Å; P699-T701 VanDerWaalsContact O-N 3.07Å; P699-H821 PolarHBondContact O-NE2 2.89Å; P699-V839 HydrophobicContact CG-CG1 4.27Å; P699-A841 HydrophobicContact CB-CB 4.37Å; P699-A841 HydrophobicContact CG-CB 4.11Å
700	E	94.3	Very high	96.7	Very high	88 Å²	88	21.2 Å²	21.2	41%	0.411	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	11.6	179.5	-57	-176.7	-112.5	0	0	115.8	A841 K843 S844	E700-A841 HydrophobicContact CB-CB 4.05Å; E700-A841 HydrophobicContact CG-CB 4.16Å; E700-A841 WeakPolarHBondContact OE1-CB 3.22Å; E700-K843 HydrophobicContact CB-CB 4.41Å; E700-K843 WeakPolarHBondContact OE2-CB 3.47Å; E700-S844 WeakPolarHBondContact OE2-CB 3.49Å; E700-S844 PolarHBondContact OE2-N 2.96Å; E700-S844 PolarHBondContact OE2-OG 3.15Å
701	T	94	Very high	96.7	Very high	38 Å²	38	21.2 Å²	21.2	23%	0.233	11%	0.111	C	C	.	.			trans	-81.6	153.6	171.5	62.2	0	0	0	0	112.4	T601 Y698 P699	T601-T701 HydrophobicContact CG2-CG2 3.77Å; Y698-T701 WeakPolarHBondContact O-CB 3.45Å; Y698-T701 WeakPolarHBondContact O-CG2 3.19Å; Y698-T701 PolarHBondContact O-N 2.83Å; Y698-T701 PolarHBondContact O-OG1 2.95Å; P699-T701 PolarHBondContact O-N 2.93Å; P699-T701 VanDerWaalsContact O-N 3.07Å
702	H	92.3	Very high	96.6	Very high	35 Å²	35	24.8 Å²	24.8	16%	0.162	13%	0.13	C	C	.	.			trans	-89.9	115.7	176	-177.4	80.4	0	0	0	110.7	E727 G729 Y887	H702-E727 IonicContact CD2-OE1 3.59Å; H702-E727 IonicContact CE1-OE1 3.4Å; H702-E727 IonicContact NE2-OE1 3.12Å; H702-E727 PolarHBondContact NE2-OE1 3.22Å; H702-G729 PolarHBondContact O-N 3Å; H702-Y887 HydrophobicContact CB-CD1 4.16Å; H702-Y887 HydrophobicContact CB-CD2 4.01Å; H702-Y887 HydrophobicContact CB-CE1 4.24Å; H702-Y887 HydrophobicContact CB-CE2 4.11Å; H702-Y887 HydrophobicContact CB-CG 4.03Å; H702-Y887 VanDerWaalsContact CE1-CB 3.49Å; H702-Y887 WeakPolarHBondContact CE1-CB 3.44Å; H702-Y887 AromaticContact CG-CG 3.73Å; H702-Y887 AromaticContact ND1-CD2 3.94Å; H702-Y887 AromaticContact ND1-CG 3.86Å
703	I	95.4	Very high	96.5	Very high	37 Å²	37	28.9 Å²	28.9	19%	0.19	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	129.5	170.1	-178.1	161.2	0	0	0	110.5	F604 W695 F726 E727 V728	F604-I703 HydrophobicContact CE1-CD1 3.88Å; F604-I703 HydrophobicContact CZ-CD1 3.67Å; W695-I703 HydrophobicContact CG-CD1 4.23Å; I703-F726 HydrophobicContact CD1-CD1 4.22Å; I703-F726 HydrophobicContact CG1-CD1 4.26Å; I703-E727 CarbonylContact C-O 3.58Å; I703-E727 WeakPolarHBondContact CA-O 3.45Å; I703-V728 HydrophobicContact CD1-CG2 4.29Å; I703-V728 HydrophobicContact CG1-CG2 4.35Å
704	I	92.2	Very high	96.4	Very high	59 Å²	59	28.9 Å²	28.9	30%	0.303	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.1	177.7	-62.8	179.9	0	0	0	109.1	N706 F726 E727	I704-N706 PolarHBondContact O-N 3.43Å; I704-F726 CarbonylContact O-C 3.57Å; I704-F726 VanDerWaalsContact O-CA 3.3Å; I704-F726 WeakPolarHBondContact O-CA 3.49Å; I704-E727 HydrophobicContact CB-CB 4.42Å; I704-E727 PolarHBondContact N-O 2.94Å; I704-E727 PolarHBondContact O-N 2.93Å
705	C	95.6	Very high	96.4	Very high	8 Å²	8	30.8 Å²	30.8	5%	0.054	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	118.4	167.7	-170.8	0	0	0	0	109.6	K454 E654 W695 S707 T725 F726	K454-C705 PolarHBondContact NZ-O 2.95Å; E654-C705 HydrophobicContact CB-CB 4.33Å; E654-C705 HydrophobicContact CG-CB 4.31Å; E654-C705 WeakPolarHBondContact OE2-CB 3.29Å; W695-C705 HydrophobicContact CH2-CB 4.04Å; W695-C705 HydrophobicContact CZ2-CB 4.47Å; C705-S707 PolarHBondContact SG-O 2.87Å; C705-T725 CarbonylContact C-O 3.45Å; C705-T725 WeakPolarHBondContact CA-O 3.3Å; C705-F726 HydrophobicContact CB-CD1 3.99Å; C705-F726 HydrophobicContact CB-CE1 3.76Å
706	N	90.9	Very high	96.3	Very high	24 Å²	24	31.3 Å²	31.3	13%	0.128	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-30.1	-179.9	-83.3	-36.1	0	0	0	112.3	Q407 K454 I704 T725	Q407-N706 PolarHBondContact NE2-ND2 2.85Å; Q407-N706 PolarHBondContact NE2-OD1 3.08Å; Q407-N706 VanDerWaalsContact NE2-OD1 3.09Å; K454-N706 WeakPolarHBondContact CE-O 3.5Å; I704-N706 PolarHBondContact O-N 3.43Å; N706-T725 PolarHBondContact N-O 2.69Å
707	S	96	Very high	96.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	145.4	172.8	64.8	0	0	0	0	112.3	S449 K454 C705 G724 T725	S449-S707 WeakPolarHBondContact CB-OG 3.43Å; S449-S707 PolarHBondContact OG-OG 3.32Å; K454-S707 CarbonylContact O-C 3.58Å; K454-S707 WeakPolarHBondContact O-CA 3.43Å; K454-S707 WeakPolarHBondContact O-CB 3.47Å; C705-S707 PolarHBondContact SG-O 2.87Å; S707-G724 CarbonylContact O-C 3.57Å; S707-G724 WeakPolarHBondContact O-CA 3.15Å; S707-T725 PolarHBondContact N-O 2.84Å; S707-T725 PolarHBondContact N-OG1 3.48Å; S707-T725 PolarHBondContact O-N 2.94Å; S707-T725 WeakPolarHBondContact OG-CB 3.27Å; S707-T725 WeakPolarHBondContact OG-CG2 3.37Å; S707-T725 PolarHBondContact OG-N 2.72Å; S707-T725 PolarHBondContact OG-OG1 3.46Å
708	Y	98.6	Very high	96.3	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	122.4	166.9	-171.8	-144.8	0	0	0	109	K454 E653 E654 I656 F658 R692 I693 V722 F723	K454-Y708 WeakPolarHBondContact CA-O 2.92Å; K454-Y708 WeakPolarHBondContact CB-O 3.49Å; K454-Y708 PolarHBondContact N-O 2.93Å; K454-Y708 PolarHBondContact O-N 2.79Å; E653-Y708 HydrophobicContact CG-CE1 3.88Å; E653-Y708 PolarHBondContact OE1-OH 3.17Å; E654-Y708 HydrophobicContact CB-CD1 3.6Å; E654-Y708 HydrophobicContact CB-CE1 4.39Å; E654-Y708 HydrophobicContact CB-CG 4.01Å; E654-Y708 HydrophobicContact CG-CD1 4.07Å; E654-Y708 HydrophobicContact CG-CG 4.3Å; E654-Y708 WeakPolarHBondContact O-CD1 3.49Å; E654-Y708 WeakPolarHBondContact O-CE1 3.18Å; I656-Y708 HydrophobicContact CD1-CE1 4.48Å; I656-Y708 HydrophobicContact CG1-CD1 4.42Å; I656-Y708 HydrophobicContact CG1-CE1 3.78Å; F658-Y708 AromaticContact CE1-CD1 3.83Å; F658-Y708 HydrophobicContact CE1-CD1 3.83Å; F658-Y708 HydrophobicContact CE1-CD2 4.34Å; F658-Y708 AromaticContact CE1-CE1 3.96Å; F658-Y708 HydrophobicContact CE1-CE1 3.96Å; F658-Y708 HydrophobicContact CE1-CE2 4.39Å; F658-Y708 HydrophobicContact CE1-CG 4.07Å; F658-Y708 HydrophobicContact CZ-CD1 4.43Å; F658-Y708 HydrophobicContact CZ-CE1 4.13Å; F658-Y708 HydrophobicContact CZ-CE2 4.21Å; R692-Y708 WeakPolarHBondContact CA-OH 3.22Å; I693-Y708 HydrophobicContact CB-CD2 4.48Å; I693-Y708 HydrophobicContact CB-CE2 3.79Å; I693-Y708 HydrophobicContact CD1-CD2 4.46Å; I693-Y708 HydrophobicContact CD1-CE2 4.22Å; I693-Y708 HydrophobicContact CG1-CE2 4.06Å; I693-Y708 PolarHBondContact N-OH 2.92Å; Y708-V722 HydrophobicContact CD2-CG1 4.27Å; Y708-V722 HydrophobicContact CE2-CG1 3.75Å; Y708-F723 WeakPolarHBondContact CA-O 3.36Å; Y708-F723 WeakPolarHBondContact CD2-O 3.43Å
709	G	98.4	Very high	96.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.6	-177.8	-169.5	0	0	0	0	0	114	L452 V722 F723	L452-G709 CarbonylContact O-C 3.59Å; L452-G709 WeakPolarHBondContact O-CA 3.36Å; G709-V722 CarbonylContact O-C 3.49Å; G709-V722 WeakPolarHBondContact O-CA 3.31Å; G709-F723 VanDerWaalsContact C-CZ 3.47Å; G709-F723 VanDerWaalsContact CA-CE2 3.46Å; G709-F723 PolarHBondContact N-O 2.86Å; G709-F723 VanDerWaalsContact N-O 3.09Å; G709-F723 PolarHBondContact O-N 2.91Å
710	C	98.6	Very high	96.4	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.007	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	153.3	179.1	72.3	0	0	0	0	112.7	G451 L452 F658 T661 P721 V722	G451-C710 CarbonylContact C-O 3.47Å; G451-C710 WeakPolarHBondContact CA-O 3.27Å; L452-C710 PolarHBondContact N-O 2.87Å; L452-C710 PolarHBondContact O-N 2.78Å; F658-C710 HydrophobicContact CD2-CB 3.95Å; F658-C710 HydrophobicContact CE2-CB 4.42Å; T661-C710 HydrophobicContact CG2-CB 4.07Å; C710-P721 CarbonylContact C-O 3.57Å; C710-P721 WeakPolarHBondContact CA-O 3.48Å; C710-P721 WeakPolarHBondContact CB-O 3.46Å; C710-V722 HydrophobicContact CB-CG2 4.08Å
711	T	98.3	Very high	96.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.121	C	C	.	.			trans	-84.7	140.1	178.7	61.1	0	0	0	0	111.8	W446 I714 S720 P721 F723	W446-T711 HydrophobicContact CB-CG2 3.86Å; T711-I714 HydrophobicContact CG2-CD1 4.17Å; T711-S720 WeakPolarHBondContact O-CB 3.44Å; T711-S720 PolarHBondContact O-OG 3.31Å; T711-P721 HydrophobicContact CG2-CB 4.35Å; T711-P721 PolarHBondContact N-O 3.02Å; T711-P721 WeakPolarHBondContact OG1-CD 3.49Å; T711-P721 VanDerWaalsContact OG1-CG 3.3Å; T711-P721 WeakPolarHBondContact OG1-CG 3.36Å; T711-F723 HydrophobicContact CG2-CD1 4.17Å; T711-F723 HydrophobicContact CG2-CE1 4.23Å
712	D	96.8	Very high	96.9	Very high	76 Å²	76	20.5 Å²	20.5	41%	0.406	11%	0.11	S	C	.	.	S	Bend	trans	-103.1	-9.8	178.5	45.9	1.7	0	0	0	114.3	G451 L452 R669	G451-D712 WeakPolarHBondContact CA-OD1 3.43Å; L452-D712 HydrophobicContact CD1-CB 4.36Å; L452-D712 HydrophobicContact CG-CB 4.3Å; R669-D712 WeakPolarHBondContact CG-O 3.33Å
713	D	97	Very high	97.2	Very high	85 Å²	85	18.8 Å²	18.8	46%	0.455	10%	0.103	S	C	.	.	S	Bend	trans	-97.4	-22	179.3	64.5	-18.9	0	0	0	114.8	S445 V715	S445-D713 WeakPolarHBondContact CB-OD1 3.32Å; S445-D713 VanDerWaalsContact CB-OD2 3.25Å; S445-D713 WeakPolarHBondContact CB-OD2 3.33Å; S445-D713 PolarHBondContact OG-OD1 2.88Å; S445-D713 PolarHBondContact OG-OD2 2.95Å; S445-D713 VanDerWaalsContact OG-OD2 3.07Å; D713-V715 PolarHBondContact O-N 3.49Å
714	I	98	Very high	97.3	Very high	2 Å²	2	17 Å²	17	1%	0.01	9%	0.094	C	C	.	.			trans	-86.6	100	179.2	-64.6	164.8	0	0	0	110.3	W432 P440 V443 S445 W446 R669 T711 P721	W432-I714 HydrophobicContact CH2-CG2 3.66Å; W432-I714 HydrophobicContact CZ2-CG2 3.54Å; W432-I714 HydrophobicContact CZ3-CG2 4.37Å; P440-I714 HydrophobicContact CG-CG1 4.41Å; P440-I714 HydrophobicContact CG-CG2 4.08Å; V443-I714 HydrophobicContact CB-CD1 3.9Å; V443-I714 HydrophobicContact CG1-CD1 3.98Å; V443-I714 HydrophobicContact CG1-CG1 4.46Å; S445-I714 WeakPolarHBondContact OG-CD1 3.29Å; W446-I714 HydrophobicContact CB-CD1 3.89Å; R669-I714 PolarHBondContact NH1-O 2.86Å; T711-I714 HydrophobicContact CG2-CD1 4.17Å; I714-P721 HydrophobicContact CB-CG 3.85Å; I714-P721 HydrophobicContact CD1-CG 3.88Å; I714-P721 HydrophobicContact CG1-CG 4.48Å; I714-P721 HydrophobicContact CG2-CG 3.59Å
715	V	98.1	Very high	97.6	Very high	39 Å²	39	14.3 Å²	14.3	24%	0.236	8%	0.079	C	C	.	.			trans	-112	6.2	-167.4	-63.1	0	0	0	0	116.3	G667 R669 D713 S717	G667-V715 PolarHBondContact N-O 3Å; R669-V715 HydrophobicContact CG-CG1 3.98Å; D713-V715 PolarHBondContact O-N 3.49Å; V715-S717 PolarHBondContact O-N 2.88Å
716	T	97.9	Very high	97.7	Very high	40 Å²	40	14 Å²	14	25%	0.245	8%	0.077	C	C	.	.	S	Bend	trans	-69.5	-33.4	-176	57.4	0	0	0	0	113.5	V437 P440 R666	V437-T716 WeakPolarHBondContact CG2-O 3.45Å; P440-T716 HydrophobicContact CB-CG2 4.16Å; P440-T716 HydrophobicContact CG-CG2 4.31Å; R666-T716 VanDerWaalsContact CD-O 3.26Å; R666-T716 WeakPolarHBondContact CD-O 3.19Å; R666-T716 WeakPolarHBondContact CG-O 3.42Å
717	S	98.1	Very high	97.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-96.5	158	178.8	-179	0	0	0	0	112.3	N433 G435 R669 V715 H719	N433-S717 WeakPolarHBondContact O-CB 3.42Å; N433-S717 PolarHBondContact O-OG 2.79Å; G435-S717 PolarHBondContact N-OG 2.7Å; R669-S717 PolarHBondContact NH1-O 2.84Å; R669-S717 PolarHBondContact NH2-O 2.59Å; V715-S717 PolarHBondContact O-N 2.88Å; S717-H719 WeakPolarHBondContact CB-O 3.38Å; S717-H719 PolarHBondContact O-N 2.58Å; S717-H719 PolarHBondContact OG-N 2.82Å; S717-H719 VanDerWaalsContact OG-N 3.12Å
718	D	97.4	Very high	97.8	Very high	13 Å²	13	13.7 Å²	13.7	7%	0.07	8%	0.075	C	C	.	.	S	Bend	trans	-76.9	6	166.1	49.6	-38.7	0	0	0	113.5	R663 Y664 R666	R663-D718 CarbonylContact C-O 3.59Å; R663-D718 WeakPolarHBondContact CA-O 3.46Å; R663-D718 HydrophobicContact CG-CB 3.97Å; R663-D718 IonicContact CZ-OD2 2.8Å; R663-D718 IonicContact NE-OD2 2.79Å; R663-D718 PolarHBondContact NE-OD2 2.82Å; R663-D718 IonicContact NH2-OD2 2.79Å; R663-D718 PolarHBondContact NH2-OD2 2.92Å; Y664-D718 PolarHBondContact N-O 2.8Å; Y664-D718 WeakPolarHBondContact O-CB 3.18Å; R666-D718 HydrophobicContact CG-CB 4.33Å; R666-D718 IonicContact CZ-OD1 2.88Å; R666-D718 IonicContact NE-OD1 2.77Å; R666-D718 PolarHBondContact NE-OD1 3.35Å; R666-D718 IonicContact NH2-OD1 2.99Å; R666-D718 PolarHBondContact NH2-OD1 3.15Å
719	H	98.6	Very high	97.4	Very high	7 Å²	7	14 Å²	14	3%	0.032	8%	0.079	C	C	.	.	B	Isolated β-bridge	trans	-114.8	150	160.5	-63.6	-124.1	0	0	0	111	W432 N433 D608 T661 Y662 R669 D691 S717	W432-H719 PolarHBondContact NE1-O 3.05Å; N433-H719 HydrophobicContact CB-CB 4.12Å; N433-H719 PolarHBondContact ND2-NE2 3.05Å; D608-H719 IonicContact OD2-CE1 3.49Å; D608-H719 PolarHBondContact OD2-CE1 3.28Å; D608-H719 IonicContact OD2-NE2 2.77Å; T661-H719 WeakPolarHBondContact O-CA 3.32Å; Y662-H719 AromaticContact CD2-CD2 3.59Å; Y662-H719 AromaticContact CD2-CE1 3.42Å; Y662-H719 VanDerWaalsContact CD2-CE1 3.42Å; Y662-H719 WeakPolarHBondContact CD2-CE1 3.34Å; Y662-H719 AromaticContact CD2-CG 3.96Å; Y662-H719 AromaticContact CD2-ND1 3.86Å; Y662-H719 AromaticContact CD2-NE2 3.19Å; Y662-H719 WeakPolarHBondContact CD2-NE2 3.45Å; Y662-H719 AromaticContact CE2-CE1 3.99Å; Y662-H719 AromaticContact CE2-NE2 3.45Å; Y662-H719 WeakPolarHBondContact CE2-NE2 3.44Å; R669-H719 PolarHBondContact NH1-O 3.25Å; D691-H719 IonicContact OD1-CE1 2.98Å; D691-H719 IonicContact OD1-CG 3.57Å; D691-H719 IonicContact OD1-ND1 3.16Å; D691-H719 PolarHBondContact OD1-ND1 3.38Å; D691-H719 VanDerWaalsContact OD1-ND1 3.12Å; D691-H719 IonicContact OD2-CE1 2.73Å; D691-H719 IonicContact OD2-CG 3.87Å; D691-H719 IonicContact OD2-ND1 3.68Å; D691-H719 PolarHBondContact OD2-ND1 3.05Å; S717-H719 WeakPolarHBondContact CB-O 3.38Å; S717-H719 PolarHBondContact O-N 2.58Å; S717-H719 PolarHBondContact OG-N 2.82Å; S717-H719 VanDerWaalsContact OG-N 3.12Å
720	S	98.8	Very high	97.1	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.007	8%	0.081	C	C	.	.			trans	-89.9	137.7	164.1	-88.5	0	0	0	0	111.7	T661 R669 T711	T661-S720 PolarHBondContact O-N 3.3Å; R669-S720 WeakPolarHBondContact CD-OG 3.46Å; R669-S720 PolarHBondContact NH1-OG 2.77Å; T711-S720 WeakPolarHBondContact O-CB 3.44Å; T711-S720 PolarHBondContact O-OG 3.31Å
721	P	98.8	Very high	96.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.087	C	C	.	.			trans	-53	137.5	168.5	-20.1	23.8	0	0	0	113.2	W432 W446 C710 T711 I714	W432-P721 HydrophobicContact CB-CB 4.06Å; W432-P721 HydrophobicContact CB-CG 4.37Å; W432-P721 HydrophobicContact CD2-CB 4.3Å; W432-P721 HydrophobicContact CD2-CG 3.66Å; W432-P721 HydrophobicContact CE3-CG 4.22Å; W432-P721 HydrophobicContact CG-CB 3.91Å; W432-P721 HydrophobicContact CG-CG 3.7Å; W432-P721 HydrophobicContact CZ2-CG 4.36Å; W446-P721 HydrophobicContact CB-CB 4.35Å; W446-P721 HydrophobicContact CD2-CB 3.97Å; W446-P721 HydrophobicContact CG-CB 3.74Å; C710-P721 CarbonylContact C-O 3.57Å; C710-P721 WeakPolarHBondContact CA-O 3.48Å; C710-P721 WeakPolarHBondContact CB-O 3.46Å; T711-P721 HydrophobicContact CG2-CB 4.35Å; T711-P721 PolarHBondContact N-O 3.02Å; T711-P721 WeakPolarHBondContact OG1-CD 3.49Å; T711-P721 VanDerWaalsContact OG1-CG 3.3Å; T711-P721 WeakPolarHBondContact OG1-CG 3.36Å; I714-P721 HydrophobicContact CB-CG 3.85Å; I714-P721 HydrophobicContact CD1-CG 3.88Å; I714-P721 HydrophobicContact CG1-CG 4.48Å; I714-P721 HydrophobicContact CG2-CG 3.59Å
722	V	98.9	Very high	95.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.1	174	171.4	0	0	0	0	109.8	G430 T431 W446 F658 T661 D691 I693 Y708 G709 C710	G430-V722 WeakPolarHBondContact CA-O 3.28Å; T431-V722 HydrophobicContact CG2-CB 3.83Å; T431-V722 HydrophobicContact CG2-CG1 4.17Å; T431-V722 PolarHBondContact N-O 3.35Å; T431-V722 PolarHBondContact O-N 2.83Å; W446-V722 PolarHBondContact NE1-O 3.22Å; F658-V722 HydrophobicContact CE2-CG2 4.3Å; T661-V722 HydrophobicContact CG2-CG2 3.43Å; T661-V722 VanDerWaalsContact CG2-CG2 3.43Å; D691-V722 HydrophobicContact CB-CB 4.41Å; D691-V722 HydrophobicContact CB-CG2 3.72Å; I693-V722 HydrophobicContact CD1-CG1 3.99Å; I693-V722 HydrophobicContact CG1-CG1 4.23Å; Y708-V722 HydrophobicContact CD2-CG1 4.27Å; Y708-V722 HydrophobicContact CE2-CG1 3.75Å; G709-V722 CarbonylContact O-C 3.49Å; G709-V722 WeakPolarHBondContact O-CA 3.31Å; C710-V722 HydrophobicContact CB-CG2 4.08Å
723	F	98.8	Very high	94.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	147.3	177.3	53.2	-102.8	0	0	0	111.1	F428 I429 S449 K450 A455 Y708 G709 T711	F428-F723 HydrophobicContact CE2-CB 3.92Å; F428-F723 HydrophobicContact CZ-CB 4.13Å; I429-F723 CarbonylContact O-C 3.54Å; I429-F723 WeakPolarHBondContact O-CA 3.4Å; S449-F723 VanDerWaalsContact C-CZ 3.49Å; S449-F723 VanDerWaalsContact OG-CD2 3.29Å; S449-F723 WeakPolarHBondContact OG-CD2 3.29Å; K450-F723 VanDerWaalsContact O-CE1 3.28Å; K450-F723 WeakPolarHBondContact O-CE1 3.4Å; A455-F723 HydrophobicContact CB-CE2 4.42Å; A455-F723 HydrophobicContact CB-CZ 4.13Å; Y708-F723 WeakPolarHBondContact CA-O 3.36Å; Y708-F723 WeakPolarHBondContact CD2-O 3.43Å; G709-F723 VanDerWaalsContact C-CZ 3.47Å; G709-F723 VanDerWaalsContact CA-CE2 3.46Å; G709-F723 PolarHBondContact N-O 2.86Å; G709-F723 VanDerWaalsContact N-O 3.09Å; G709-F723 PolarHBondContact O-N 2.91Å; T711-F723 HydrophobicContact CG2-CD1 4.17Å; T711-F723 HydrophobicContact CG2-CE1 4.23Å
724	G	98.6	Very high	92.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	135.3	170.4	0	0	0	0	0	109.5	I429 I693 S707	I429-G724 PolarHBondContact N-O 2.85Å; I429-G724 PolarHBondContact O-N 3.35Å; I693-G724 VanDerWaalsContact CD1-N 3.32Å; S707-G724 CarbonylContact O-C 3.57Å; S707-G724 WeakPolarHBondContact O-CA 3.15Å
725	T	98.2	Very high	90.8	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.3	172.7	66.1	0	0	0	0	110.9	V427 F428 S449 L456 H465 C705 N706 S707	V427-T725 WeakPolarHBondContact O-CA 3.31Å; F428-T725 HydrophobicContact CB-CG2 4.4Å; F428-T725 HydrophobicContact CD2-CG2 3.76Å; S449-T725 WeakPolarHBondContact OG-CG2 3.14Å; L456-T725 HydrophobicContact CD1-CG2 4.5Å; H465-T725 WeakPolarHBondContact NE2-CG2 3.43Å; C705-T725 CarbonylContact C-O 3.45Å; C705-T725 WeakPolarHBondContact CA-O 3.3Å; N706-T725 PolarHBondContact N-O 2.69Å; S707-T725 PolarHBondContact N-O 2.84Å; S707-T725 PolarHBondContact N-OG1 3.48Å; S707-T725 PolarHBondContact O-N 2.94Å; S707-T725 WeakPolarHBondContact OG-CB 3.27Å; S707-T725 WeakPolarHBondContact OG-CG2 3.37Å; S707-T725 PolarHBondContact OG-N 2.72Å; S707-T725 PolarHBondContact OG-OG1 3.46Å
726	F	97.4	Very high	88.6	Confident	1 Å²	1	24 Å²	24	0%	0.004	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	137.5	-174.5	-59.1	-87.1	0	0	0	110.1	S426 V427 I429 F604 I693 W695 I703 I704 C705 V728	S426-F726 CarbonylContact C-O 3.51Å; S426-F726 VanDerWaalsContact CA-O 3.3Å; S426-F726 WeakPolarHBondContact CA-O 3.34Å; V427-F726 PolarHBondContact N-O 3.38Å; V427-F726 PolarHBondContact O-N 3.38Å; I429-F726 HydrophobicContact CD1-CD2 4.16Å; I429-F726 HydrophobicContact CD1-CE2 3.93Å; I429-F726 HydrophobicContact CG1-CD2 4.36Å; I429-F726 HydrophobicContact CG1-CE2 4.28Å; F604-F726 HydrophobicContact CD1-CD2 4.21Å; F604-F726 HydrophobicContact CD1-CE2 4.03Å; F604-F726 HydrophobicContact CD1-CZ 4.29Å; F604-F726 HydrophobicContact CE1-CB 4.33Å; F604-F726 AromaticContact CE1-CD1 3.89Å; F604-F726 HydrophobicContact CE1-CD1 3.89Å; F604-F726 AromaticContact CE1-CD2 3.58Å; F604-F726 HydrophobicContact CE1-CD2 3.58Å; F604-F726 HydrophobicContact CE1-CE1 4.08Å; F604-F726 AromaticContact CE1-CE2 3.79Å; F604-F726 HydrophobicContact CE1-CE2 3.79Å; F604-F726 AromaticContact CE1-CG 3.64Å; F604-F726 HydrophobicContact CE1-CG 3.64Å; F604-F726 HydrophobicContact CE1-CZ 4.03Å; F604-F726 HydrophobicContact CZ-CB 4.35Å; F604-F726 HydrophobicContact CZ-CD2 4.27Å; F604-F726 HydrophobicContact CZ-CG 4.14Å; I693-F726 HydrophobicContact CG2-CE2 4.12Å; I693-F726 HydrophobicContact CG2-CZ 4.1Å; W695-F726 AromaticContact CD2-CE1 3.78Å; W695-F726 HydrophobicContact CD2-CE1 3.78Å; W695-F726 HydrophobicContact CD2-CZ 4.38Å; W695-F726 AromaticContact CE3-CE1 3.51Å; W695-F726 HydrophobicContact CE3-CE1 3.51Å; W695-F726 AromaticContact CE3-CZ 3.8Å; W695-F726 HydrophobicContact CE3-CZ 3.8Å; W695-F726 HydrophobicContact CG-CE1 4.42Å; W695-F726 HydrophobicContact CH2-CE1 4.23Å; W695-F726 HydrophobicContact CZ2-CE1 4.44Å; W695-F726 AromaticContact CZ3-CE1 3.75Å; W695-F726 HydrophobicContact CZ3-CE1 3.75Å; W695-F726 HydrophobicContact CZ3-CZ 4.13Å; I703-F726 HydrophobicContact CD1-CD1 4.22Å; I703-F726 HydrophobicContact CG1-CD1 4.26Å; I704-F726 CarbonylContact O-C 3.57Å; I704-F726 VanDerWaalsContact O-CA 3.3Å; I704-F726 WeakPolarHBondContact O-CA 3.49Å; C705-F726 HydrophobicContact CB-CD1 3.99Å; C705-F726 HydrophobicContact CB-CE1 3.76Å; F726-V728 HydrophobicContact CB-CG2 3.86Å
727	E	92.4	Very high	86.2	Confident	18 Å²	18	32.3 Å²	32.3	8%	0.084	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	125.3	159.4	179.7	-174.6	110.3	0	0	107.2	Q410 M424 H702 I703 I704	Q410-E727 VanDerWaalsContact NE2-CD 3.27Å; Q410-E727 PolarHBondContact NE2-OE1 3.12Å; Q410-E727 PolarHBondContact NE2-OE2 3.2Å; M424-E727 HydrophobicContact CE-CG 3.85Å; M424-E727 WeakPolarHBondContact CE-OE1 3.48Å; M424-E727 HydrophobicContact CG-CG 3.75Å; M424-E727 VanDerWaalsContact SD-CD 3.54Å; M424-E727 HydrophobicContact SD-CG 3.54Å; M424-E727 VanDerWaalsContact SD-CG 3.54Å; H702-E727 IonicContact CD2-OE1 3.59Å; H702-E727 IonicContact CE1-OE1 3.4Å; H702-E727 IonicContact NE2-OE1 3.12Å; H702-E727 PolarHBondContact NE2-OE1 3.22Å; I703-E727 CarbonylContact C-O 3.58Å; I703-E727 WeakPolarHBondContact CA-O 3.45Å; I704-E727 HydrophobicContact CB-CB 4.42Å; I704-E727 PolarHBondContact N-O 2.94Å; I704-E727 PolarHBondContact O-N 2.93Å
728	V	95.6	Very high	83.7	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	127.5	-171.8	-171.6	0	0	0	0	109	M424 I425 V427 F556 H602 F604 I703 F726	M424-V728 CarbonylContact C-O 3.52Å; M424-V728 VanDerWaalsContact CA-O 3.31Å; M424-V728 WeakPolarHBondContact CA-O 3.41Å; I425-V728 HydrophobicContact CG1-CB 4.43Å; I425-V728 PolarHBondContact N-O 3.42Å; I425-V728 PolarHBondContact O-N 3.12Å; V427-V728 HydrophobicContact CG2-CG2 4.08Å; F556-V728 HydrophobicContact CE1-CB 4.48Å; F556-V728 HydrophobicContact CE1-CG1 3.92Å; F556-V728 HydrophobicContact CZ-CB 4.45Å; F556-V728 HydrophobicContact CZ-CG1 3.81Å; H602-V728 WeakPolarHBondContact CD2-CG1 3.17Å; H602-V728 VanDerWaalsContact NE2-CG1 3.34Å; H602-V728 WeakPolarHBondContact NE2-CG1 3.28Å; F604-V728 HydrophobicContact CZ-CG2 4.3Å; I703-V728 HydrophobicContact CD1-CG2 4.29Å; I703-V728 HydrophobicContact CG1-CG2 4.35Å; F726-V728 HydrophobicContact CB-CG2 3.86Å
729	G	91.1	Very high	81.1	Confident	10 Å²	10	41.7 Å²	41.7	10%	0.103	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	135.9	172.3	0	0	0	0	0	110.5	D423 H702	D423-G729 WeakPolarHBondContact O-CA 3.26Å; H702-G729 PolarHBondContact O-N 3Å
730	V	90.7	Very high	78.7	Confident	6 Å²	6	50.2 Å²	50.2	4%	0.036	27%	0.268	C	S	.	.			trans	-128.7	155	178.3	-71.5	0	0	0	0	111.3	P422 D423 I425 F551 T554 F556	P422-V730 WeakPolarHBondContact O-CG2 3.3Å; D423-V730 CarbonylContact C-O 3.54Å; D423-V730 WeakPolarHBondContact CA-O 3.49Å; D423-V730 PolarHBondContact O-N 3.18Å; I425-V730 HydrophobicContact CD1-CG1 3.89Å; I425-V730 HydrophobicContact CG1-CG1 3.81Å; I425-V730 HydrophobicContact CG1-CG2 4.48Å; I425-V730 HydrophobicContact CG2-CG2 4.03Å; F551-V730 HydrophobicContact CD1-CB 4.27Å; F551-V730 HydrophobicContact CD1-CG1 4.19Å; F551-V730 HydrophobicContact CD1-CG2 4.3Å; F551-V730 HydrophobicContact CE1-CG2 4.15Å; T554-V730 HydrophobicContact CG2-CG1 4.15Å; T554-V730 WeakPolarHBondContact OG1-CA 3.43Å; F556-V730 HydrophobicContact CE2-CG1 3.95Å; F556-V730 HydrophobicContact CZ-CG1 3.89Å
731	T	86.8	Confident	76.1	Confident	23 Å²	23	52.8 Å²	52.8	14%	0.141	29%	0.286	C	S	.	.			trans	-109.5	134.8	-171	62.6	0	0	0	0	109.6	N552 G553 T554 D819	N552-T731 WeakPolarHBondContact CB-O 3.28Å; G553-T731 VanDerWaalsContact CA-OG1 3.26Å; G553-T731 WeakPolarHBondContact CA-OG1 3.4Å; G553-T731 PolarHBondContact N-O 2.95Å; G553-T731 PolarHBondContact O-OG1 2.97Å; T554-T731 PolarHBondContact N-OG1 2.84Å; T554-T731 PolarHBondContact OG1-N 2.76Å; T554-T731 PolarHBondContact OG1-OG1 2.75Å; T731-D819 HydrophobicContact CG2-CB 3.71Å
732	S	79.3	Confident	73.8	Confident	24 Å²	24	60.9 Å²	60.9	17%	0.168	32%	0.322	C	S	.	.			trans	-65.4	156.8	-179.9	-70.9	0	0	0	0	112.1	F734	S732-F734 WeakPolarHBondContact O-CD2 3.29Å; S732-F734 PolarHBondContact O-N 3.09Å
733	Q	69.1	Low	71.7	Confident	107 Å²	107	67.1 Å²	67.1	50%	0.5	36%	0.36	S	S	.	.			trans	-73	95.9	166.8	-61.7	-174.9	43.4	0	0	108.7	N552 I735	N552-Q733 HydrophobicContact CB-CG 3.7Å; N552-Q733 PolarHBondContact OD1-NE2 2.86Å; Q733-I735 PolarHBondContact O-N 2.81Å
734	F	64.7	Low	69.4	Low	65 Å²	65	71.1 Å²	71.1	29%	0.285	39%	0.388	S	S	.	.			trans	-73	109.6	-177.2	-79.7	-95.2	0	0	0	111.4	S732 L811 E815 Y816	S732-F734 WeakPolarHBondContact O-CD2 3.29Å; S732-F734 PolarHBondContact O-N 3.09Å; F734-L811 HydrophobicContact CB-CD1 3.63Å; F734-E815 HydrophobicContact CE1-CB 4.11Å; F734-E815 HydrophobicContact CZ-CB 4.15Å; F734-Y816 HydrophobicContact CB-CD2 3.76Å; F734-Y816 HydrophobicContact CB-CE2 4.32Å; F734-Y816 HydrophobicContact CB-CG 4.44Å; F734-Y816 HydrophobicContact CD1-CD2 4.39Å; F734-Y816 AromaticContact CD2-CD2 3.55Å; F734-Y816 HydrophobicContact CD2-CD2 3.55Å; F734-Y816 HydrophobicContact CD2-CE2 4.46Å; F734-Y816 HydrophobicContact CD2-CG 4.35Å; F734-Y816 HydrophobicContact CE2-CD2 4.17Å; F734-Y816 AromaticContact CG-CD2 3.66Å; F734-Y816 HydrophobicContact CG-CD2 3.66Å; F734-Y816 HydrophobicContact CG-CG 4.22Å
735	I	58.7	Low	67.8	Low	146 Å²	146	73.2 Å²	73.2	75%	0.749	40%	0.399	S	S	*	.			trans	-105.9	127.2	167.1	-57.2	175.6	0	0	0	107.5	Q733 K737	Q733-I735 PolarHBondContact O-N 2.81Å; I735-K737 PolarHBondContact O-N 3.47Å; I735-K737 VanDerWaalsContact O-N 3.15Å
736	S	50.3	Low	66.9	Low	41 Å²	41	76.2 Å²	76.2	29%	0.287	41%	0.413	S	S	.	.			trans	-61.6	119.1	178.9	-176.7	0	0	0	0	111	K738	S736-K738 WeakPolarHBondContact CB-O 3.14Å; S736-K738 PolarHBondContact O-N 2.91Å; S736-K738 VanDerWaalsContact O-N 3.08Å; S736-K738 PolarHBondContact OG-N 2.77Å; S736-K738 PolarHBondContact OG-O 2.75Å
737	K	47.6	Very low	66.5	Low	215 Å²	215	76.2 Å²	76.2	94%	0.935	41%	0.413	S	S	*	.	S	Bend	trans	-68.6	-3.8	176.9	-64.7	-178.4	179	177.7	0	113.6	I735	I735-K737 PolarHBondContact O-N 3.47Å; I735-K737 VanDerWaalsContact O-N 3.15Å
738	K	46.9	Very low	66.5	Low	137 Å²	137	78.6 Å²	78.6	60%	0.596	42%	0.421	S	S	*	.	S	Bend	trans	-122.6	121	165.9	-64.6	177.9	-179.5	177.2	0	107.7	S736	S736-K738 WeakPolarHBondContact CB-O 3.14Å; S736-K738 PolarHBondContact O-N 2.91Å; S736-K738 VanDerWaalsContact O-N 3.08Å; S736-K738 PolarHBondContact OG-N 2.77Å; S736-K738 PolarHBondContact OG-O 2.75Å
739	G	42.7	Very low	66.5	Low	74 Å²	74	78.6 Å²	78.6	76%	0.763	42%	0.421	S	S	*	.	S	Bend	trans	-58	140.9	173.8	0	0	0	0	0	111.1	S741	G739-S741 PolarHBondContact O-N 3.4Å
740	L	47.5	Very low	66.7	Low	185 Å²	185	79.8 Å²	79.8	97%	0.969	42%	0.424	S	S	*	.	S	Bend	trans	2.3	84.8	177.2	-77	147.3	0	0	0	114.3
741	S	44.4	Very low	67.1	Low	55 Å²	55	80.1 Å²	80.1	39%	0.385	43%	0.425	S	S	.	.			trans	-77.1	169.5	179.3	62.8	0	0	0	0	111.9	G739 D745	G739-S741 PolarHBondContact O-N 3.4Å; S741-D745 VanDerWaalsContact CB-OD2 3.23Å; S741-D745 WeakPolarHBondContact CB-OD2 3.09Å; S741-D745 VanDerWaalsContact OG-CB 3.31Å; S741-D745 WeakPolarHBondContact OG-CB 3.31Å; S741-D745 PolarHBondContact OG-OD2 3.35Å
742	K	51	Low	67.6	Low	171 Å²	171	82.8 Å²	82.8	74%	0.743	44%	0.436	S	S	*	.			trans	-65.5	161.1	-170.2	-63.2	175.7	-177.2	176.5	0	111.6	S744 D745	K742-S744 PolarHBondContact O-N 3.09Å; K742-D745 WeakPolarHBondContact O-CB 3.13Å; K742-D745 PolarHBondContact O-N 2.88Å
743	T	53.1	Low	68.4	Low	131 Å²	131	84.4 Å²	84.4	80%	0.804	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-57.3	-12.5	179.7	47.9	0	0	0	0	115.2	D745	T743-D745 VanDerWaalsContact C-N 3.25Å; T743-D745 PolarHBondContact O-N 2.99Å
744	S	50.6	Low	69.8	Low	84 Å²	84	79.4 Å²	79.4	59%	0.587	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-64.7	-23.2	168.6	45.4	0	0	0	0	114.6	K742	K742-S744 PolarHBondContact O-N 3.09Å
745	D	65.4	Low	71.5	Confident	44 Å²	44	77.6 Å²	77.6	24%	0.235	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-100	2.2	-165.1	-66.1	30.8	0	0	0	113.3	S741 K742 T743 A812 R879	S741-D745 VanDerWaalsContact CB-OD2 3.23Å; S741-D745 WeakPolarHBondContact CB-OD2 3.09Å; S741-D745 VanDerWaalsContact OG-CB 3.31Å; S741-D745 WeakPolarHBondContact OG-CB 3.31Å; S741-D745 PolarHBondContact OG-OD2 3.35Å; K742-D745 WeakPolarHBondContact O-CB 3.13Å; K742-D745 PolarHBondContact O-N 2.88Å; T743-D745 VanDerWaalsContact C-N 3.25Å; T743-D745 PolarHBondContact O-N 2.99Å; D745-A812 WeakPolarHBondContact O-CB 3.2Å; D745-R879 IonicContact OD2-NH2 3.7Å
746	Q	79.1	Confident	73.3	Confident	64 Å²	64	70.7 Å²	70.7	30%	0.299	38%	0.381	S	S	.	.			trans	-80.4	139.9	-174	-179.1	162.3	68	0	0	111.8	Y748	Q746-Y748 HydrophobicContact CB-CE2 4.39Å; Q746-Y748 HydrophobicContact CG-CE1 3.89Å; Q746-Y748 HydrophobicContact CG-CE2 4.46Å; Q746-Y748 WeakPolarHBondContact O-CE2 3.34Å; Q746-Y748 PolarHBondContact OE1-OH 3.17Å
747	A	88.7	Confident	75.6	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.38	C	S	.	.			trans	-86	158.1	169.6	0	0	0	0	0	111.1	P809 A812 L817 R874 V875	A747-P809 WeakPolarHBondContact O-CD 3.37Å; A747-A812 HydrophobicContact CB-CB 3.8Å; A747-L817 HydrophobicContact CB-CD1 3.8Å; A747-R874 VanDerWaalsContact CA-O 3.25Å; A747-R874 WeakPolarHBondContact CA-O 3.44Å; A747-R874 WeakPolarHBondContact CB-O 3.29Å; A747-V875 HydrophobicContact CB-CG2 4.36Å
748	Y	92.9	Very high	77.9	Confident	68 Å²	68	61 Å²	61	27%	0.267	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	135.3	-179.7	-60.3	-73.5	0	0	0	110.9	Q746 T806 K808 V873 R874	Q746-Y748 HydrophobicContact CB-CE2 4.39Å; Q746-Y748 HydrophobicContact CG-CE1 3.89Å; Q746-Y748 HydrophobicContact CG-CE2 4.46Å; Q746-Y748 WeakPolarHBondContact O-CE2 3.34Å; Q746-Y748 PolarHBondContact OE1-OH 3.17Å; Y748-T806 HydrophobicContact CD1-CG2 3.96Å; Y748-T806 HydrophobicContact CG-CG2 4.38Å; Y748-K808 HydrophobicContact CD1-CG 4.03Å; Y748-K808 HydrophobicContact CE1-CD 4.29Å; Y748-K808 HydrophobicContact CE1-CG 3.99Å; Y748-V873 CarbonylContact O-C 3.52Å; Y748-V873 WeakPolarHBondContact O-CA 3.37Å; Y748-R874 PolarHBondContact N-O 3.17Å; Y748-R874 PolarHBondContact O-N 3.37Å
749	I	96.1	Very high	80.2	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.4	167.8	-44.5	175.7	0	0	0	107.4	F751 T806 L807 P809 L822 L842 M871 K872 V873	I749-F751 HydrophobicContact CG2-CE2 4.41Å; I749-T806 WeakPolarHBondContact O-CA 3.45Å; I749-L807 HydrophobicContact CB-CB 4.03Å; I749-L807 HydrophobicContact CB-CD1 4.4Å; I749-L807 HydrophobicContact CB-CG 4.44Å; I749-L807 HydrophobicContact CD1-CB 4.33Å; I749-L807 HydrophobicContact CD1-CD1 4.29Å; I749-L807 HydrophobicContact CG1-CB 4.39Å; I749-L807 PolarHBondContact N-O 2.86Å; I749-L807 PolarHBondContact O-N 3.45Å; I749-P809 HydrophobicContact CD1-CG 3.98Å; I749-P809 HydrophobicContact CG1-CG 3.9Å; I749-L822 HydrophobicContact CD1-CD1 4.2Å; I749-L822 HydrophobicContact CD1-CD2 4.05Å; I749-L822 HydrophobicContact CG2-CD1 4.39Å; I749-L842 HydrophobicContact CD1-CD1 3.57Å; I749-L842 HydrophobicContact CD1-CD2 4.23Å; I749-L842 HydrophobicContact CG1-CD1 4.5Å; I749-M871 HydrophobicContact CG2-CE 4.46Å; I749-M871 HydrophobicContact CG2-SD 4.42Å; I749-K872 WeakPolarHBondContact CA-O 3.43Å; I749-V873 HydrophobicContact CG1-CG1 4.24Å; I749-V873 HydrophobicContact CG1-CG2 4.17Å; I749-V873 HydrophobicContact CG2-CG2 4.21Å
750	E	96	Very high	82.5	Confident	35 Å²	35	56.4 Å²	56.4	16%	0.164	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	139.2	-177.2	-64.9	172.3	175	0	0	110	T806 M871 K872 R874	E750-T806 HydrophobicContact CG-CG2 3.99Å; E750-M871 CarbonylContact O-C 3.53Å; E750-M871 WeakPolarHBondContact O-CA 3.49Å; E750-K872 HydrophobicContact CB-CG 4.01Å; E750-K872 PolarHBondContact N-O 3.34Å; E750-K872 PolarHBondContact O-N 2.79Å; E750-K872 WeakPolarHBondContact OE2-CE 3.42Å; E750-K872 IonicContact OE2-NZ 2.65Å; E750-R874 WeakPolarHBondContact OE1-CD 3.44Å; E750-R874 IonicContact OE1-CZ 2.79Å; E750-R874 IonicContact OE1-NE 3.54Å; E750-R874 IonicContact OE1-NH1 3Å; E750-R874 PolarHBondContact OE1-NH1 3.1Å; E750-R874 WeakPolarHBondContact OE2-CD 3.13Å; E750-R874 IonicContact OE2-CZ 2.8Å; E750-R874 IonicContact OE2-NE 3.66Å; E750-R874 PolarHBondContact OE2-NE 2.79Å; E750-R874 VanDerWaalsContact OE2-NE 3.16Å; E750-R874 IonicContact OE2-NH1 3.58Å; E750-R874 PolarHBondContact OE2-NH1 3.37Å; E750-R874 IonicContact OE2-NH2 3.21Å
751	F	97.9	Very high	84.5	Confident	13 Å²	13	51.9 Å²	51.9	6%	0.057	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	135.3	174.2	-58.7	-97.2	0	0	0	110	I749 I754 F770 S801 L804 L807 L822 F853 S870 M871	I749-F751 HydrophobicContact CG2-CE2 4.41Å; F751-I754 HydrophobicContact CD1-CD1 3.67Å; F751-I754 HydrophobicContact CD1-CG1 4.01Å; F751-I754 HydrophobicContact CE1-CD1 3.91Å; F751-I754 HydrophobicContact CG-CD1 4.28Å; F751-F770 AromaticContact CE1-CE1 3.94Å; F751-F770 HydrophobicContact CE1-CE1 3.94Å; F751-F770 HydrophobicContact CE2-CD1 4.08Å; F751-F770 AromaticContact CE2-CE1 3.72Å; F751-F770 HydrophobicContact CE2-CE1 3.72Å; F751-F770 HydrophobicContact CE2-CZ 4.32Å; F751-F770 AromaticContact CZ-CD1 3.75Å; F751-F770 HydrophobicContact CZ-CD1 3.75Å; F751-F770 AromaticContact CZ-CE1 3.39Å; F751-F770 HydrophobicContact CZ-CE1 3.39Å; F751-F770 HydrophobicContact CZ-CZ 4.34Å; F751-S801 WeakPolarHBondContact O-CB 3.09Å; F751-L804 HydrophobicContact CB-CB 4.09Å; F751-L804 HydrophobicContact CB-CD1 3.6Å; F751-L804 HydrophobicContact CB-CG 4.43Å; F751-L804 HydrophobicContact CG-CD1 4.44Å; F751-L807 HydrophobicContact CE2-CD1 3.87Å; F751-L807 HydrophobicContact CE2-CG 4.11Å; F751-L807 HydrophobicContact CZ-CD1 4.22Å; F751-L822 HydrophobicContact CZ-CD1 3.97Å; F751-F853 HydrophobicContact CD1-CE1 4.27Å; F751-F853 HydrophobicContact CE1-CE1 4.18Å; F751-F853 HydrophobicContact CE1-CZ 4.45Å; F751-S870 CarbonylContact C-O 3.56Å; F751-S870 WeakPolarHBondContact CA-O 3.44Å; F751-M871 HydrophobicContact CD1-CB 3.92Å; F751-M871 HydrophobicContact CD1-CE 4.17Å; F751-M871 HydrophobicContact CE1-CB 4.23Å; F751-M871 HydrophobicContact CE1-CE 3.35Å; F751-M871 HydrophobicContact CZ-CE 3.79Å
752	E	96.9	Very high	86.3	Confident	80 Å²	80	51.8 Å²	51.8	37%	0.374	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-35.9	177	-58.6	178.7	154.4	0	0	111.4	S801 A850 S870 K872	E752-S801 WeakPolarHBondContact O-CB 3.32Å; E752-S801 PolarHBondContact O-N 3.27Å; E752-S801 VanDerWaalsContact O-N 3.1Å; E752-A850 VanDerWaalsContact CD-CB 3.4Å; E752-A850 HydrophobicContact CG-CB 4.31Å; E752-A850 WeakPolarHBondContact OE1-CB 3.36Å; E752-A850 WeakPolarHBondContact OE2-CB 3.4Å; E752-S870 PolarHBondContact N-O 2.8Å; E752-S870 PolarHBondContact OE2-OG 2.95Å; E752-K872 IonicContact OE1-NZ 3.85Å; E752-K872 PolarHBondContact OE1-NZ 3.02Å
753	S	97.8	Very high	88	Confident	57 Å²	57	51.9 Å²	51.9	40%	0.399	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	156.4	168.5	59.3	0	0	0	0	110.8	W799 G869 S870	S753-W799 WeakPolarHBondContact CA-O 3.45Å; S753-G869 CarbonylContact O-C 3.6Å; S753-G869 WeakPolarHBondContact O-CA 3.42Å; S753-S870 PolarHBondContact O-N 3.14Å
754	I	98.6	Very high	89.8	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143.4	164.8	-66.3	177.5	0	0	0	108.4	F751 I768 F770 Q798 W799 L804 F853 I867 R868	F751-I754 HydrophobicContact CD1-CD1 3.67Å; F751-I754 HydrophobicContact CD1-CG1 4.01Å; F751-I754 HydrophobicContact CE1-CD1 3.91Å; F751-I754 HydrophobicContact CG-CD1 4.28Å; I754-I768 HydrophobicContact CB-CD1 4.25Å; I754-I768 HydrophobicContact CD1-CD1 3.8Å; I754-I768 HydrophobicContact CG2-CD1 3.71Å; I754-F770 HydrophobicContact CD1-CE1 4.08Å; I754-F770 HydrophobicContact CD1-CZ 4.04Å; I754-Q798 WeakPolarHBondContact O-CA 3.18Å; I754-W799 HydrophobicContact CB-CE3 4.19Å; I754-W799 HydrophobicContact CG2-CE3 3.89Å; I754-W799 HydrophobicContact CG2-CZ3 4.15Å; I754-W799 PolarHBondContact N-O 3.18Å; I754-W799 PolarHBondContact O-N 2.77Å; I754-L804 HydrophobicContact CB-CD1 4.13Å; I754-L804 HydrophobicContact CD1-CD1 4.1Å; I754-L804 HydrophobicContact CD1-CD2 3.87Å; I754-L804 HydrophobicContact CG1-CD1 3.78Å; I754-L804 HydrophobicContact CG1-CD2 4.34Å; I754-F853 HydrophobicContact CD1-CZ 4.32Å; I754-F853 HydrophobicContact CG1-CZ 4.18Å; I754-I867 HydrophobicContact CG2-CD1 3.78Å; I754-I867 HydrophobicContact CG2-CG1 3.73Å; I754-R868 CarbonylContact C-O 3.59Å; I754-R868 WeakPolarHBondContact CA-O 3.02Å
755	E	98.4	Very high	92	Very high	28 Å²	28	45.5 Å²	45.5	13%	0.131	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	132	171.8	-178.8	-173.4	98.5	0	0	108.7	K796 V797 Q798 I867 R868	E755-K796 HydrophobicContact CG-CG 4.4Å; E755-K796 WeakPolarHBondContact OE1-CE 3.44Å; E755-K796 IonicContact OE1-NZ 3.41Å; E755-K796 WeakPolarHBondContact OE2-CE 3.43Å; E755-K796 IonicContact OE2-NZ 3.56Å; E755-K796 PolarHBondContact OE2-NZ 2.88Å; E755-V797 CarbonylContact C-O 3.44Å; E755-V797 WeakPolarHBondContact CA-O 2.94Å; E755-Q798 HydrophobicContact CB-CG 4.18Å; E755-Q798 HydrophobicContact CG-CG 3.8Å; E755-I867 WeakPolarHBondContact O-CA 3.06Å; E755-R868 HydrophobicContact CB-CG 4.17Å; E755-R868 PolarHBondContact N-O 3.18Å; E755-R868 PolarHBondContact O-N 2.84Å; E755-R868 VanDerWaalsContact O-O 3.07Å; E755-R868 IonicContact OE1-CZ 3.66Å; E755-R868 IonicContact OE1-NE 3.36Å; E755-R868 PolarHBondContact OE1-NE 3.5Å; E755-R868 IonicContact OE1-NH2 3.5Å; E755-R868 PolarHBondContact OE1-NH2 3.21Å; E755-R868 IonicContact OE2-NH2 2.87Å
756	A	98.1	Very high	93.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	147.6	173	0	0	0	0	0	111.3	V758 K796 V797 W799 L857 N866 I867	A756-V758 HydrophobicContact CB-CG2 4.08Å; A756-K796 CarbonylContact O-C 3.57Å; A756-K796 WeakPolarHBondContact O-CA 3.48Å; A756-V797 HydrophobicContact CB-CG2 3.95Å; A756-V797 PolarHBondContact N-O 3.5Å; A756-V797 PolarHBondContact O-N 3.24Å; A756-W799 HydrophobicContact CB-CH2 4.28Å; A756-W799 HydrophobicContact CB-CZ3 3.91Å; A756-L857 HydrophobicContact CB-CD1 4.29Å; A756-N866 CarbonylContact C-O 3.52Å; A756-N866 VanDerWaalsContact CA-O 3.32Å; A756-N866 WeakPolarHBondContact CA-O 3.41Å; A756-I867 HydrophobicContact CB-CB 4.1Å; A756-I867 HydrophobicContact CB-CD1 4.36Å; A756-I867 HydrophobicContact CB-CG1 4.02Å
757	I	97.1	Very high	94.4	Very high	53 Å²	53	40.7 Å²	40.7	27%	0.272	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	115.5	166.8	-61.3	175.9	0	0	0	105.9	F794 K796 G865 N866	I757-F794 HydrophobicContact CG2-CB 4.02Å; I757-F794 HydrophobicContact CG2-CD1 3.93Å; I757-F794 HydrophobicContact CG2-CG 4.32Å; I757-K796 HydrophobicContact CG1-CG 4.21Å; I757-G865 WeakPolarHBondContact O-CA 3.21Å; I757-N866 PolarHBondContact N-O 3.02Å; I757-N866 PolarHBondContact O-N 3.44Å; I757-N866 VanDerWaalsContact O-N 3.08Å
758	V	96.7	Very high	94.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.6	-171.4	-178.5	0	0	0	0	109.7	A756 T760 F766 F794 L795 V797 V826 Y835 L857	A756-V758 HydrophobicContact CB-CG2 4.08Å; V758-T760 HydrophobicContact CG1-CG2 4.46Å; V758-T760 PolarHBondContact O-N 2.95Å; V758-T760 VanDerWaalsContact O-N 3.16Å; V758-F766 HydrophobicContact CG1-CE1 4.23Å; V758-F766 HydrophobicContact CG1-CZ 4.27Å; V758-F794 CarbonylContact O-C 3.2Å; V758-F794 VanDerWaalsContact O-CA 3.3Å; V758-F794 WeakPolarHBondContact O-CA 3.39Å; V758-L795 PolarHBondContact N-O 3.33Å; V758-L795 PolarHBondContact O-N 2.75Å; V758-V797 HydrophobicContact CG2-CG2 4.13Å; V758-V826 HydrophobicContact CG2-CG1 4.16Å; V758-Y835 HydrophobicContact CG1-CD1 4.02Å; V758-Y835 HydrophobicContact CG1-CG 4.16Å; V758-L857 HydrophobicContact CG2-CD1 4.22Å
759	K	94.6	Very high	95.1	Very high	98 Å²	98	38 Å²	38	43%	0.426	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	103.4	174.6	-175.4	-175.3	176.7	-170.8	0	109.9	N793 F794 T864	K759-N793 WeakPolarHBondContact CA-O 3.41Å; K759-F794 HydrophobicContact CB-CD1 3.96Å; K759-F794 HydrophobicContact CB-CE1 3.66Å; K759-F794 HydrophobicContact CB-CZ 4.36Å; K759-F794 HydrophobicContact CG-CE1 4.09Å; K759-F794 HydrophobicContact CG-CZ 4.29Å; K759-T864 WeakPolarHBondContact CB-O 3.13Å; K759-T864 PolarHBondContact N-O 3.12Å
760	T	92.6	Very high	95.2	Very high	16 Å²	16	38 Å²	38	10%	0.098	20%	0.199	C	C	.	.			trans	-158.6	148	-179.9	-178.3	0	0	0	0	110.4	V758 S762 F766 N793 L795	V758-T760 HydrophobicContact CG1-CG2 4.46Å; V758-T760 PolarHBondContact O-N 2.95Å; V758-T760 VanDerWaalsContact O-N 3.16Å; T760-S762 VanDerWaalsContact CG2-O 3.28Å; T760-S762 WeakPolarHBondContact CG2-O 3.11Å; T760-S762 PolarHBondContact OG1-N 2.97Å; T760-S762 PolarHBondContact OG1-O 2.98Å; T760-F766 HydrophobicContact CG2-CE2 4.49Å; T760-F766 HydrophobicContact CG2-CZ 4.24Å; T760-N793 PolarHBondContact N-O 3.35Å; T760-N793 CarbonylContact O-C 3.57Å; T760-L795 HydrophobicContact CG2-CB 3.57Å
761	A	88.6	Confident	95.2	Very high	91 Å²	91	37.3 Å²	37.3	75%	0.752	20%	0.195	S	C	*	.	S	Bend	trans	-93.7	-10.9	167.4	0	0	0	0	0	112.5
762	S	83	Confident	95	Very high	52 Å²	52	37.7 Å²	37.7	36%	0.364	20%	0.199	S	C	.	.			trans	-90.7	138.9	177.1	-179.6	0	0	0	0	111.1	T760 T764	T760-S762 VanDerWaalsContact CG2-O 3.28Å; T760-S762 WeakPolarHBondContact CG2-O 3.11Å; T760-S762 PolarHBondContact OG1-N 2.97Å; T760-S762 PolarHBondContact OG1-O 2.98Å; S762-T764 PolarHBondContact O-N 3.39Å; S762-T764 WeakPolarHBondContact OG-CB 3.27Å; S762-T764 PolarHBondContact OG-N 2.9Å
763	R	85.4	Confident	94.6	Very high	173 Å²	173	38.4 Å²	38.4	65%	0.653	21%	0.209	S	C	*	.			trans	-90.2	26.7	174.5	-68.4	-176.4	165.8	174.4	-3.8	113.1	Q787 S789 L795	R763-Q787 PolarHBondContact O-NE2 3.46Å; R763-Q787 VanDerWaalsContact O-NE2 3.11Å; R763-S789 PolarHBondContact NE-OG 2.82Å; R763-S789 VanDerWaalsContact NH2-CB 3.34Å; R763-S789 PolarHBondContact NH2-OG 2.69Å; R763-L795 HydrophobicContact CG-CD1 4.25Å
764	T	91.8	Very high	94.2	Very high	20 Å²	20	35.7 Å²	35.7	12%	0.123	19%	0.19	C	C	.	.			trans	-61.8	164.2	179	-165.3	0	0	0	0	113	S762 F766 D830	S762-T764 PolarHBondContact O-N 3.39Å; S762-T764 WeakPolarHBondContact OG-CB 3.27Å; S762-T764 PolarHBondContact OG-N 2.9Å; T764-F766 HydrophobicContact CG2-CD2 4.25Å; T764-F766 HydrophobicContact CG2-CE1 4.33Å; T764-F766 HydrophobicContact CG2-CE2 3.5Å; T764-F766 VanDerWaalsContact CG2-CE2 3.5Å; T764-F766 HydrophobicContact CG2-CZ 3.56Å; T764-F766 VanDerWaalsContact O-CD2 3.28Å; T764-F766 WeakPolarHBondContact O-CD2 3.28Å; T764-F766 VanDerWaalsContact O-CE2 3.27Å; T764-F766 WeakPolarHBondContact O-CE2 3.3Å; T764-D830 WeakPolarHBondContact CB-OD2 3.28Å; T764-D830 PolarHBondContact OG1-OD2 3.45Å
765	K	96.3	Very high	93.7	Very high	62 Å²	62	36.5 Å²	36.5	27%	0.27	19%	0.194	S	C	.	.			trans	-84.9	150.2	175.2	-74.8	-71.8	-172.7	138.5	0	110.7	E783 N784 S828 M829	K765-E783 HydrophobicContact CB-CB 4.28Å; K765-E783 HydrophobicContact CD-CB 4.41Å; K765-E783 WeakPolarHBondContact CD-OE1 3.46Å; K765-E783 WeakPolarHBondContact CE-OE1 3.39Å; K765-E783 IonicContact NZ-OE1 3.18Å; K765-E783 PolarHBondContact NZ-OE1 3.36Å; K765-N784 WeakPolarHBondContact CA-OD1 3.21Å; K765-N784 VanDerWaalsContact CD-OD1 3.3Å; K765-N784 WeakPolarHBondContact CD-OD1 3.41Å; K765-N784 PolarHBondContact NZ-O 2.87Å; K765-S828 CarbonylContact O-C 3.39Å; K765-S828 WeakPolarHBondContact O-CA 3.39Å; K765-M829 HydrophobicContact CB-CB 3.99Å; K765-M829 HydrophobicContact CB-CG 3.67Å; K765-M829 WeakPolarHBondContact O-CG 3.47Å; K765-M829 PolarHBondContact O-N 2.71Å
766	F	98	Very high	93	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	145.9	-176.1	-69.8	-92.2	0	0	0	112.2	V758 T760 T764 E783 N784 L795 V797 W799 V826 K827 Y835	V758-F766 HydrophobicContact CG1-CE1 4.23Å; V758-F766 HydrophobicContact CG1-CZ 4.27Å; T760-F766 HydrophobicContact CG2-CE2 4.49Å; T760-F766 HydrophobicContact CG2-CZ 4.24Å; T764-F766 HydrophobicContact CG2-CD2 4.25Å; T764-F766 HydrophobicContact CG2-CE1 4.33Å; T764-F766 HydrophobicContact CG2-CE2 3.5Å; T764-F766 VanDerWaalsContact CG2-CE2 3.5Å; T764-F766 HydrophobicContact CG2-CZ 3.56Å; T764-F766 VanDerWaalsContact O-CD2 3.28Å; T764-F766 WeakPolarHBondContact O-CD2 3.28Å; T764-F766 VanDerWaalsContact O-CE2 3.27Å; T764-F766 WeakPolarHBondContact O-CE2 3.3Å; F766-E783 CarbonylContact O-C 3.55Å; F766-E783 VanDerWaalsContact O-CA 3.3Å; F766-E783 WeakPolarHBondContact O-CA 3.22Å; F766-N784 PolarHBondContact N-OD1 3.25Å; F766-N784 PolarHBondContact O-N 3.37Å; F766-N784 PolarHBondContact O-OD1 3.37Å; F766-L795 HydrophobicContact CD2-CD2 4.18Å; F766-L795 HydrophobicContact CE2-CD2 3.76Å; F766-V797 HydrophobicContact CD2-CG1 3.95Å; F766-W799 HydrophobicContact CB-CH2 4.29Å; F766-W799 HydrophobicContact CB-CZ2 3.81Å; F766-W799 WeakPolarHBondContact O-CZ2 3.42Å; F766-W799 PolarHBondContact O-NE1 3.37Å; F766-W799 VanDerWaalsContact O-NE1 3.09Å; F766-V826 HydrophobicContact CB-CG1 4.15Å; F766-V826 HydrophobicContact CD1-CG1 3.86Å; F766-V826 HydrophobicContact CG-CG1 4.32Å; F766-K827 CarbonylContact C-O 3.56Å; F766-K827 VanDerWaalsContact CA-O 3.22Å; F766-K827 WeakPolarHBondContact CA-O 3.4Å; F766-K827 WeakPolarHBondContact CD1-O 3.14Å; F766-Y835 HydrophobicContact CE1-CD1 4.14Å; F766-Y835 AromaticContact CE1-CD2 3.64Å; F766-Y835 HydrophobicContact CE1-CD2 3.64Å; F766-Y835 HydrophobicContact CE1-CE2 4.1Å; F766-Y835 AromaticContact CE1-CG 3.65Å; F766-Y835 HydrophobicContact CE1-CG 3.65Å; F766-Y835 HydrophobicContact CZ-CD1 4.27Å; F766-Y835 HydrophobicContact CZ-CD2 4.38Å; F766-Y835 HydrophobicContact CZ-CE1 4.42Å; F766-Y835 HydrophobicContact CZ-CG 4.25Å
767	F	98.2	Very high	92.5	Very high	6 Å²	6	49.2 Å²	49.2	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	167	169.3	72.2	-79.9	0	0	0	110.4	E769 K780 K827 M829 Y832	F767-E769 HydrophobicContact CD2-CG 4.2Å; F767-E769 HydrophobicContact CE2-CG 3.66Å; F767-K780 HydrophobicContact CD2-CB 4.2Å; F767-K780 HydrophobicContact CE2-CB 4.47Å; F767-K827 HydrophobicContact CD1-CB 4.07Å; F767-K827 WeakPolarHBondContact CD1-O 3.46Å; F767-K827 HydrophobicContact CE1-CB 3.54Å; F767-K827 HydrophobicContact CE2-CB 4.19Å; F767-K827 HydrophobicContact CE2-CD 4.18Å; F767-K827 HydrophobicContact CZ-CB 3.61Å; F767-K827 HydrophobicContact CZ-CD 3.78Å; F767-K827 HydrophobicContact CZ-CG 4.35Å; F767-K827 PolarHBondContact N-O 3.23Å; F767-K827 PolarHBondContact O-N 2.7Å; F767-M829 HydrophobicContact CB-SD 4.14Å; F767-M829 HydrophobicContact CD1-CG 4.25Å; F767-M829 HydrophobicContact CD1-SD 3.53Å; F767-M829 VanDerWaalsContact CD1-SD 3.53Å; F767-M829 HydrophobicContact CE1-SD 4.29Å; F767-M829 HydrophobicContact CG-SD 4.13Å; F767-Y832 AromaticContact CE1-CD1 3.89Å; F767-Y832 HydrophobicContact CE1-CD1 3.89Å; F767-Y832 HydrophobicContact CE1-CE1 4.05Å; F767-Y832 AromaticContact CZ-CD1 3.64Å; F767-Y832 HydrophobicContact CZ-CD1 3.64Å; F767-Y832 AromaticContact CZ-CE1 3.92Å; F767-Y832 HydrophobicContact CZ-CE1 3.92Å
768	I	98.4	Very high	92.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132.9	-178.7	-53.3	174.9	0	0	0	108.6	I754 F770 K780 S781 W799 L804 L824 T825 V826 I867	I754-I768 HydrophobicContact CB-CD1 4.25Å; I754-I768 HydrophobicContact CD1-CD1 3.8Å; I754-I768 HydrophobicContact CG2-CD1 3.71Å; I768-F770 HydrophobicContact CB-CE2 3.83Å; I768-F770 HydrophobicContact CB-CZ 3.86Å; I768-F770 HydrophobicContact CD1-CZ 4.41Å; I768-F770 HydrophobicContact CG2-CD1 4.39Å; I768-F770 HydrophobicContact CG2-CD2 4.24Å; I768-F770 HydrophobicContact CG2-CE1 3.9Å; I768-F770 HydrophobicContact CG2-CE2 3.72Å; I768-F770 HydrophobicContact CG2-CZ 3.53Å; I768-K780 CarbonylContact O-C 3.6Å; I768-K780 VanDerWaalsContact O-CA 3.26Å; I768-K780 WeakPolarHBondContact O-CA 3.43Å; I768-S781 PolarHBondContact N-OG 3.05Å; I768-S781 PolarHBondContact O-N 3.15Å; I768-W799 HydrophobicContact CD1-CD2 3.86Å; I768-W799 HydrophobicContact CD1-CE3 3.79Å; I768-W799 HydrophobicContact CD1-CH2 3.96Å; I768-W799 HydrophobicContact CD1-CZ2 4.03Å; I768-W799 HydrophobicContact CD1-CZ3 3.85Å; I768-W799 HydrophobicContact CG1-CD2 4.29Å; I768-W799 HydrophobicContact CG1-CE3 4.49Å; I768-W799 HydrophobicContact CG1-CH2 3.9Å; I768-W799 HydrophobicContact CG1-CZ2 3.66Å; I768-W799 HydrophobicContact CG1-CZ3 4.32Å; I768-L804 HydrophobicContact CD1-CD2 4.45Å; I768-L824 HydrophobicContact CG2-CB 4.2Å; I768-L824 HydrophobicContact CG2-CD2 4.08Å; I768-L824 HydrophobicContact CG2-CG 3.95Å; I768-T825 WeakPolarHBondContact CA-O 3.41Å; I768-V826 HydrophobicContact CG1-CG2 4.48Å; I768-I867 HydrophobicContact CD1-CD1 4.32Å
769	E	97.7	Very high	92.3	Very high	11 Å²	11	55.7 Å²	55.7	5%	0.051	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	142.2	164.5	-61.8	170.4	164.4	0	0	110.8	F767 Y771 Y778 K779 K780 L824 T825 K827	F767-E769 HydrophobicContact CD2-CG 4.2Å; F767-E769 HydrophobicContact CE2-CG 3.66Å; E769-Y771 HydrophobicContact CB-CD2 4.16Å; E769-Y771 HydrophobicContact CB-CE2 3.59Å; E769-Y771 WeakPolarHBondContact OE2-CE2 3.13Å; E769-Y771 PolarHBondContact OE2-OH 3.07Å; E769-Y778 HydrophobicContact CB-CD2 4.28Å; E769-Y778 HydrophobicContact CG-CD2 4.34Å; E769-Y778 HydrophobicContact CG-CE2 4.24Å; E769-K779 CarbonylContact C-O 3.42Å; E769-K779 VanDerWaalsContact CA-O 3.3Å; E769-K779 WeakPolarHBondContact CA-O 3.08Å; E769-K780 HydrophobicContact CG-CB 4.2Å; E769-L824 WeakPolarHBondContact O-CA 3.46Å; E769-T825 HydrophobicContact CB-CG2 3.79Å; E769-T825 HydrophobicContact CG-CG2 4.5Å; E769-T825 PolarHBondContact N-O 3.36Å; E769-T825 PolarHBondContact O-N 3.36Å; E769-K827 HydrophobicContact CG-CD 4.44Å; E769-K827 IonicContact OE1-NZ 2.76Å; E769-K827 PolarHBondContact OE1-NZ 3.34Å; E769-K827 VanDerWaalsContact OE1-NZ 3.08Å; E769-K827 WeakPolarHBondContact OE2-CE 3.39Å; E769-K827 IonicContact OE2-NZ 2.83Å; E769-K827 PolarHBondContact OE2-NZ 3.22Å
770	F	97.4	Very high	92.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	112.1	-175	-57	-95.6	0	0	0	109	F751 I754 I768 Y778 K779 L804 P805 L807 L824	F751-F770 AromaticContact CE1-CE1 3.94Å; F751-F770 HydrophobicContact CE1-CE1 3.94Å; F751-F770 HydrophobicContact CE2-CD1 4.08Å; F751-F770 AromaticContact CE2-CE1 3.72Å; F751-F770 HydrophobicContact CE2-CE1 3.72Å; F751-F770 HydrophobicContact CE2-CZ 4.32Å; F751-F770 AromaticContact CZ-CD1 3.75Å; F751-F770 HydrophobicContact CZ-CD1 3.75Å; F751-F770 AromaticContact CZ-CE1 3.39Å; F751-F770 HydrophobicContact CZ-CE1 3.39Å; F751-F770 HydrophobicContact CZ-CZ 4.34Å; I754-F770 HydrophobicContact CD1-CE1 4.08Å; I754-F770 HydrophobicContact CD1-CZ 4.04Å; I768-F770 HydrophobicContact CB-CE2 3.83Å; I768-F770 HydrophobicContact CB-CZ 3.86Å; I768-F770 HydrophobicContact CD1-CZ 4.41Å; I768-F770 HydrophobicContact CG2-CD1 4.39Å; I768-F770 HydrophobicContact CG2-CD2 4.24Å; I768-F770 HydrophobicContact CG2-CE1 3.9Å; I768-F770 HydrophobicContact CG2-CE2 3.72Å; I768-F770 HydrophobicContact CG2-CZ 3.53Å; F770-Y778 WeakPolarHBondContact O-CA 3.44Å; F770-Y778 WeakPolarHBondContact O-CB 3.44Å; F770-K779 PolarHBondContact N-O 2.98Å; F770-K779 PolarHBondContact O-N 3.47Å; F770-L804 HydrophobicContact CZ-CD2 4.23Å; F770-P805 HydrophobicContact CD2-CG 3.81Å; F770-P805 HydrophobicContact CE2-CG 3.69Å; F770-P805 HydrophobicContact CZ-CG 4.47Å; F770-L807 HydrophobicContact CB-CD1 4.08Å; F770-L807 HydrophobicContact CB-CD2 4.04Å; F770-L807 HydrophobicContact CD1-CD1 4.23Å; F770-L807 HydrophobicContact CG-CD1 4.32Å; F770-L807 HydrophobicContact CG-CD2 4.23Å; F770-L824 HydrophobicContact CD1-CD1 3.86Å; F770-L824 HydrophobicContact CD1-CD2 4.25Å; F770-L824 HydrophobicContact CD1-CG 3.8Å; F770-L824 HydrophobicContact CE1-CD1 4.32Å; F770-L824 HydrophobicContact CE1-CD2 3.89Å; F770-L824 HydrophobicContact CE1-CG 3.93Å
771	Y	96.2	Very high	92.7	Very high	22 Å²	22	56.7 Å²	56.7	9%	0.086	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	141.2	179.6	-68.4	-98.4	0	0	0	110.5	L591 F594 E769 Y778 L823 T825	L591-Y771 HydrophobicContact CD2-CD1 3.85Å; L591-Y771 HydrophobicContact CD2-CG 4.05Å; F594-Y771 AromaticContact CE2-CD2 3.55Å; F594-Y771 HydrophobicContact CE2-CD2 3.55Å; F594-Y771 AromaticContact CE2-CE2 3.92Å; F594-Y771 HydrophobicContact CE2-CE2 3.92Å; F594-Y771 AromaticContact CE2-CG 3.93Å; F594-Y771 HydrophobicContact CE2-CG 3.93Å; F594-Y771 AromaticContact CZ-CD2 3.79Å; F594-Y771 HydrophobicContact CZ-CD2 3.79Å; F594-Y771 HydrophobicContact CZ-CE2 4.33Å; F594-Y771 HydrophobicContact CZ-CG 4.41Å; E769-Y771 HydrophobicContact CB-CD2 4.16Å; E769-Y771 HydrophobicContact CB-CE2 3.59Å; E769-Y771 WeakPolarHBondContact OE2-CE2 3.13Å; E769-Y771 PolarHBondContact OE2-OH 3.07Å; Y771-Y778 HydrophobicContact CD1-CG 4.17Å; Y771-Y778 HydrophobicContact CE1-CD1 4.17Å; Y771-Y778 HydrophobicContact CE1-CD2 4.03Å; Y771-Y778 AromaticContact CE1-CG 3.66Å; Y771-Y778 HydrophobicContact CE1-CG 3.66Å; Y771-Y778 HydrophobicContact CE2-CD2 4.13Å; Y771-Y778 AromaticContact CZ-CD2 3.7Å; Y771-Y778 AromaticContact CZ-CG 3.86Å; Y771-L823 PolarHBondContact N-O 3.25Å; Y771-L823 PolarHBondContact O-N 3.4Å; Y771-T825 HydrophobicContact CD2-CG2 4.47Å; Y771-T825 HydrophobicContact CE2-CG2 4Å
772	S	93.7	Very high	93.2	Very high	21 Å²	21	59.1 Å²	59.1	15%	0.147	28%	0.275	C	S	.	.			trans	-164.9	151.6	169.9	-171.6	0	0	0	0	111.2	C774 L775 H821	S772-C774 PolarHBondContact O-N 2.83Å; S772-C774 VanDerWaalsContact O-N 3.12Å; S772-C774 PolarHBondContact OG-N 3.5Å; S772-C774 PolarHBondContact OG-SG 2.96Å; S772-C774 VanDerWaalsContact OG-SG 3.41Å; S772-L775 PolarHBondContact O-N 3.44Å; S772-H821 VanDerWaalsContact CB-O 3.27Å; S772-H821 WeakPolarHBondContact CB-O 3.3Å; S772-H821 PolarHBondContact OG-O 3.37Å
773	T	87.7	Confident	93.9	Very high	94 Å²	94	60.3 Å²	60.3	58%	0.577	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-10.9	167	45.3	0	0	0	0	113.6	Q820	T773-Q820 PolarHBondContact OG1-OE1 2.92Å
774	C	89.3	Confident	94.5	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	3.1	177.2	83.9	0	0	0	0	115.4	S772 P809 I810 Y816 Q820	S772-C774 PolarHBondContact O-N 2.83Å; S772-C774 VanDerWaalsContact O-N 3.12Å; S772-C774 PolarHBondContact OG-N 3.5Å; S772-C774 PolarHBondContact OG-SG 2.96Å; S772-C774 VanDerWaalsContact OG-SG 3.41Å; C774-P809 CarbonylContact O-C 3.51Å; C774-P809 WeakPolarHBondContact O-CA 3.5Å; C774-I810 PolarHBondContact O-N 3.05Å; C774-Y816 WeakPolarHBondContact CA-OH 3.38Å; C774-Y816 HydrophobicContact CB-CE1 3.89Å; C774-Y816 VanDerWaalsContact CB-OH 3.24Å; C774-Y816 WeakPolarHBondContact CB-OH 3.47Å; C774-Q820 HydrophobicContact CB-CB 4.07Å; C774-Q820 HydrophobicContact CB-CG 3.63Å
775	L	89	Confident	94.7	Very high	19 Å²	19	54.5 Å²	54.5	10%	0.099	26%	0.256	C	S	.	.	S	Bend	trans	-114.1	145.2	179.4	-56	175.2	0	0	0	110	S772 E777 L807 K808	S772-L775 PolarHBondContact O-N 3.44Å; L775-E777 VanDerWaalsContact C-N 3.27Å; L775-E777 WeakPolarHBondContact CB-O 3.39Å; L775-E777 PolarHBondContact O-N 3.14Å; L775-L807 HydrophobicContact CD1-CD1 4.36Å; L775-L807 HydrophobicContact CD2-CB 3.96Å; L775-K808 WeakPolarHBondContact CD2-O 3.25Å
776	E	84.4	Confident	94.7	Very high	180 Å²	180	53.5 Å²	53.5	84%	0.841	26%	0.259	S	S	*	.	S	Bend	trans	-66.6	-33.1	175	-58	179.3	151.4	0	0	111.8	I810	E776-I810 HydrophobicContact CG-CG2 3.54Å
777	E	87.7	Confident	94.6	Very high	115 Å²	115	56.9 Å²	56.9	54%	0.537	28%	0.275	S	S	.	.	S	Bend	trans	-149.1	154.2	176.8	58.3	176.9	-173.8	0	0	109.5	L775 K779	L775-E777 VanDerWaalsContact C-N 3.27Å; L775-E777 WeakPolarHBondContact CB-O 3.39Å; L775-E777 PolarHBondContact O-N 3.14Å; E777-K779 IonicContact OE1-NZ 2.74Å; E777-K779 PolarHBondContact OE1-NZ 2.89Å
778	Y	92.9	Very high	94.4	Very high	116 Å²	116	58.2 Å²	58.2	46%	0.455	29%	0.285	S	S	.	.			trans	-64.2	153.2	171.4	80.5	-75.7	0	0	0	110.9	E769 F770 Y771	E769-Y778 HydrophobicContact CB-CD2 4.28Å; E769-Y778 HydrophobicContact CG-CD2 4.34Å; E769-Y778 HydrophobicContact CG-CE2 4.24Å; F770-Y778 WeakPolarHBondContact O-CA 3.44Å; F770-Y778 WeakPolarHBondContact O-CB 3.44Å; Y771-Y778 HydrophobicContact CD1-CG 4.17Å; Y771-Y778 HydrophobicContact CE1-CD1 4.17Å; Y771-Y778 HydrophobicContact CE1-CD2 4.03Å; Y771-Y778 AromaticContact CE1-CG 3.66Å; Y771-Y778 HydrophobicContact CE1-CG 3.66Å; Y771-Y778 HydrophobicContact CE2-CD2 4.13Å; Y771-Y778 AromaticContact CZ-CD2 3.7Å; Y771-Y778 AromaticContact CZ-CG 3.86Å
779	K	96.4	Very high	93.9	Very high	73 Å²	73	60 Å²	60	32%	0.317	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	157.2	176.6	-62	-61.4	-179.5	179.9	0	110.6	E769 F770 E777 P805 L807	E769-K779 CarbonylContact C-O 3.42Å; E769-K779 VanDerWaalsContact CA-O 3.3Å; E769-K779 WeakPolarHBondContact CA-O 3.08Å; F770-K779 PolarHBondContact N-O 2.98Å; F770-K779 PolarHBondContact O-N 3.47Å; E777-K779 IonicContact OE1-NZ 2.74Å; E777-K779 PolarHBondContact OE1-NZ 2.89Å; K779-P805 HydrophobicContact CB-CB 4.35Å; K779-P805 HydrophobicContact CB-CG 4.21Å; K779-L807 HydrophobicContact CB-CD2 3.64Å; K779-L807 HydrophobicContact CG-CD2 3.76Å
780	K	96.9	Very high	93.1	Very high	129 Å²	129	66 Å²	66	56%	0.561	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	151.8	171.5	66.6	176.9	-177.4	175.9	0	111.8	F767 I768 E769	F767-K780 HydrophobicContact CD2-CB 4.2Å; F767-K780 HydrophobicContact CE2-CB 4.47Å; I768-K780 CarbonylContact O-C 3.6Å; I768-K780 VanDerWaalsContact O-CA 3.26Å; I768-K780 WeakPolarHBondContact O-CA 3.43Å; E769-K780 HydrophobicContact CG-CB 4.2Å
781	S	98.3	Very high	92.5	Very high	7 Å²	7	70 Å²	70	5%	0.049	35%	0.351	C	S	.	.			trans	-78.6	171.8	163.5	72.7	0	0	0	0	111.3	I768 Q803	I768-S781 PolarHBondContact N-OG 3.05Å; I768-S781 PolarHBondContact O-N 3.15Å; S781-Q803 CarbonylContact C-O 3.6Å; S781-Q803 WeakPolarHBondContact CA-O 3.19Å; S781-Q803 VanDerWaalsContact CB-O 3.26Å; S781-Q803 WeakPolarHBondContact CB-O 3.34Å
782	F	98	Very high	91.8	Very high	142 Å²	142	75.8 Å²	75.8	62%	0.623	38%	0.382	S	S	*	.			trans	-76.7	-178.7	154.8	-62.6	-75.2	0	0	0	110.4	W799 Q803	F782-W799 PolarHBondContact O-NE1 3.25Å; F782-Q803 HydrophobicContact CB-CB 4.18Å; F782-Q803 PolarHBondContact N-O 3.34Å
783	E	97.7	Very high	91.7	Very high	76 Å²	76	79.4 Å²	79.4	36%	0.355	40%	0.4	S	S	.	.			trans	-66.7	162.8	176.1	61.8	163.9	-120.9	0	0	113.2	K765 F766 D785 Q803 M829	K765-E783 HydrophobicContact CB-CB 4.28Å; K765-E783 HydrophobicContact CD-CB 4.41Å; K765-E783 WeakPolarHBondContact CD-OE1 3.46Å; K765-E783 WeakPolarHBondContact CE-OE1 3.39Å; K765-E783 IonicContact NZ-OE1 3.18Å; K765-E783 PolarHBondContact NZ-OE1 3.36Å; F766-E783 CarbonylContact O-C 3.55Å; F766-E783 VanDerWaalsContact O-CA 3.3Å; F766-E783 WeakPolarHBondContact O-CA 3.22Å; E783-D785 PolarHBondContact O-N 2.67Å; E783-Q803 WeakPolarHBondContact O-CG 3.03Å; E783-M829 HydrophobicContact CB-CE 4.47Å; E783-M829 HydrophobicContact CB-CG 4.17Å; E783-M829 HydrophobicContact CB-SD 4.26Å
784	N	98	Very high	91.9	Very high	0 Å²	0	78.4 Å²	78.4	0%	0	39%	0.388	C	S	.	.			trans	-67	125.2	176.7	66.2	-75.1	0	0	0	111.1	K765 F766 A786 Q787 V797 Q798 W799	K765-N784 WeakPolarHBondContact CA-OD1 3.21Å; K765-N784 VanDerWaalsContact CD-OD1 3.3Å; K765-N784 WeakPolarHBondContact CD-OD1 3.41Å; K765-N784 PolarHBondContact NZ-O 2.87Å; F766-N784 PolarHBondContact N-OD1 3.25Å; F766-N784 PolarHBondContact O-N 3.37Å; F766-N784 PolarHBondContact O-OD1 3.37Å; N784-A786 PolarHBondContact ND2-O 3.49Å; N784-Q787 PolarHBondContact ND2-OE1 2.98Å; N784-V797 HydrophobicContact CB-CB 4.04Å; N784-Q798 CarbonylContact C-O 3.59Å; N784-Q798 WeakPolarHBondContact CA-O 3.1Å; N784-Q798 VanDerWaalsContact CB-O 3.31Å; N784-Q798 WeakPolarHBondContact CB-O 3.34Å; N784-W799 HydrophobicContact CB-CD2 4.04Å; N784-W799 HydrophobicContact CB-CG 4.31Å; N784-W799 HydrophobicContact CB-CZ2 4.08Å
785	D	97.3	Very high	92.3	Very high	71 Å²	71	78.6 Å²	78.6	38%	0.38	39%	0.389	S	S	.	.	S	Bend	trans	-84.9	-11.9	-177.9	48.5	-4.8	0	0	0	114.3	E783 Q798 W799 S800 Q803	E783-D785 PolarHBondContact O-N 2.67Å; D785-Q798 PolarHBondContact N-O 3.3Å; D785-W799 WeakPolarHBondContact OD1-CA 3.16Å; D785-S800 PolarHBondContact OD1-N 3.11Å; D785-S800 VanDerWaalsContact OD2-CB 3.3Å; D785-S800 WeakPolarHBondContact OD2-CB 3.48Å; D785-S800 PolarHBondContact OD2-OG 2.81Å; D785-Q803 HydrophobicContact CB-CG 3.98Å; D785-Q803 VanDerWaalsContact CG-CG 3.41Å; D785-Q803 WeakPolarHBondContact OD2-CG 3.24Å; D785-Q803 PolarHBondContact OD2-NE2 3.12Å
786	A	96.6	Very high	92.6	Very high	41 Å²	41	80 Å²	80	34%	0.339	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	155.5	165.9	0	0	0	0	0	112.7	N784 Q798	N784-A786 PolarHBondContact ND2-O 3.49Å; A786-Q798 HydrophobicContact CB-CB 4.12Å; A786-Q798 PolarHBondContact N-O 3.01Å; A786-Q798 PolarHBondContact O-N 2.88Å
787	Q	95.4	Very high	93.3	Very high	72 Å²	72	71.4 Å²	71.4	34%	0.336	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	146.6	171.7	59.5	-163.9	46.1	0	0	112.8	R763 N784 L795 K796 V797	R763-Q787 PolarHBondContact O-NE2 3.46Å; R763-Q787 VanDerWaalsContact O-NE2 3.11Å; N784-Q787 PolarHBondContact ND2-OE1 2.98Å; Q787-L795 HydrophobicContact CB-CD1 4.49Å; Q787-K796 CarbonylContact C-O 3.52Å; Q787-K796 WeakPolarHBondContact CA-O 3.39Å; Q787-K796 WeakPolarHBondContact CB-O 3.45Å; Q787-V797 HydrophobicContact CB-CG1 4.12Å
788	S	93.6	Very high	93.8	Very high	34 Å²	34	68.8 Å²	68.8	24%	0.238	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	159.1	168.3	67.4	0	0	0	0	111	D790 L795 K796	S788-D790 WeakPolarHBondContact CB-OD2 3.29Å; S788-D790 PolarHBondContact OG-OD2 3.44Å; S788-L795 WeakPolarHBondContact O-CD1 3.43Å; S788-K796 PolarHBondContact N-O 3.16Å; S788-K796 PolarHBondContact O-N 3.03Å; S788-K796 WeakPolarHBondContact OG-CB 3.22Å; S788-K796 WeakPolarHBondContact OG-CD 3.29Å
789	S	87.5	Confident	94	Very high	37 Å²	37	63.4 Å²	63.4	26%	0.259	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	67	-175.9	177.4	0	0	0	0	107.8	R763 N791	R763-S789 PolarHBondContact NE-OG 2.82Å; R763-S789 VanDerWaalsContact NH2-CB 3.34Å; R763-S789 PolarHBondContact NH2-OG 2.69Å; S789-N791 PolarHBondContact O-N 3.06Å; S789-N791 PolarHBondContact OG-O 2.89Å
790	D	82.4	Confident	94.1	Very high	137 Å²	137	61.7 Å²	61.7	73%	0.733	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	-11.9	-178.1	-45.6	-61.4	0	0	0	111.6	S788	S788-D790 WeakPolarHBondContact CB-OD2 3.29Å; S788-D790 PolarHBondContact OG-OD2 3.44Å
791	N	83.1	Confident	94.1	Very high	83 Å²	83	59 Å²	59	44%	0.444	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	148.3	171.1	-172.4	-44.9	0	0	0	108.3	S789 N793 F794	S789-N791 PolarHBondContact O-N 3.06Å; S789-N791 PolarHBondContact OG-O 2.89Å; N791-N793 VanDerWaalsContact C-N 3.34Å; N791-N793 PolarHBondContact OD1-N 3.05Å; N791-F794 HydrophobicContact CB-CB 4.32Å; N791-F794 VanDerWaalsContact O-O 3.12Å
792	I	81.3	Confident	94.1	Very high	144 Å²	144	68.8 Å²	68.8	74%	0.738	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-30.7	-178.1	-60.7	173.9	0	0	0	111.7
793	N	91.5	Very high	94	Very high	97 Å²	97	64 Å²	64	52%	0.519	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	2.2	-175	-66	-33.3	0	0	0	114.1	K759 T760 N791	K759-N793 WeakPolarHBondContact CA-O 3.41Å; T760-N793 PolarHBondContact N-O 3.35Å; T760-N793 CarbonylContact O-C 3.57Å; N791-N793 VanDerWaalsContact C-N 3.34Å; N791-N793 PolarHBondContact OD1-N 3.05Å
794	F	93.8	Very high	94.1	Very high	73 Å²	73	61.2 Å²	61.2	32%	0.32	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	121.3	179.9	-68.8	-90.3	0	0	0	110.9	I757 V758 K759 N791	I757-F794 HydrophobicContact CG2-CB 4.02Å; I757-F794 HydrophobicContact CG2-CD1 3.93Å; I757-F794 HydrophobicContact CG2-CG 4.32Å; V758-F794 CarbonylContact O-C 3.2Å; V758-F794 VanDerWaalsContact O-CA 3.3Å; V758-F794 WeakPolarHBondContact O-CA 3.39Å; K759-F794 HydrophobicContact CB-CD1 3.96Å; K759-F794 HydrophobicContact CB-CE1 3.66Å; K759-F794 HydrophobicContact CB-CZ 4.36Å; K759-F794 HydrophobicContact CG-CE1 4.09Å; K759-F794 HydrophobicContact CG-CZ 4.29Å; N791-F794 HydrophobicContact CB-CB 4.32Å; N791-F794 VanDerWaalsContact O-O 3.12Å
795	L	96	Very high	94.1	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	129.8	171.3	-167.8	72.2	0	0	0	109.3	V758 T760 R763 F766 Q787 S788 V797	V758-L795 PolarHBondContact N-O 3.33Å; V758-L795 PolarHBondContact O-N 2.75Å; T760-L795 HydrophobicContact CG2-CB 3.57Å; R763-L795 HydrophobicContact CG-CD1 4.25Å; F766-L795 HydrophobicContact CD2-CD2 4.18Å; F766-L795 HydrophobicContact CE2-CD2 3.76Å; Q787-L795 HydrophobicContact CB-CD1 4.49Å; S788-L795 WeakPolarHBondContact O-CD1 3.43Å; L795-V797 HydrophobicContact CD2-CG1 3.57Å; L795-V797 HydrophobicContact CG-CG1 3.84Å
796	K	96.9	Very high	94	Very high	48 Å²	48	62.5 Å²	62.5	21%	0.209	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118.3	172	-173.1	-173.3	-173.5	-147.6	0	108.3	E755 A756 I757 Q787 S788	E755-K796 HydrophobicContact CG-CG 4.4Å; E755-K796 WeakPolarHBondContact OE1-CE 3.44Å; E755-K796 IonicContact OE1-NZ 3.41Å; E755-K796 WeakPolarHBondContact OE2-CE 3.43Å; E755-K796 IonicContact OE2-NZ 3.56Å; E755-K796 PolarHBondContact OE2-NZ 2.88Å; A756-K796 CarbonylContact O-C 3.57Å; A756-K796 WeakPolarHBondContact O-CA 3.48Å; I757-K796 HydrophobicContact CG1-CG 4.21Å; Q787-K796 CarbonylContact C-O 3.52Å; Q787-K796 WeakPolarHBondContact CA-O 3.39Å; Q787-K796 WeakPolarHBondContact CB-O 3.45Å; S788-K796 PolarHBondContact N-O 3.16Å; S788-K796 PolarHBondContact O-N 3.03Å; S788-K796 WeakPolarHBondContact OG-CB 3.22Å; S788-K796 WeakPolarHBondContact OG-CD 3.29Å
797	V	97.6	Very high	94	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.3	-175.9	-68.4	0	0	0	0	111.2	E755 A756 V758 F766 N784 Q787 L795 W799	E755-V797 CarbonylContact C-O 3.44Å; E755-V797 WeakPolarHBondContact CA-O 2.94Å; A756-V797 HydrophobicContact CB-CG2 3.95Å; A756-V797 PolarHBondContact N-O 3.5Å; A756-V797 PolarHBondContact O-N 3.24Å; V758-V797 HydrophobicContact CG2-CG2 4.13Å; F766-V797 HydrophobicContact CD2-CG1 3.95Å; N784-V797 HydrophobicContact CB-CB 4.04Å; Q787-V797 HydrophobicContact CB-CG1 4.12Å; L795-V797 HydrophobicContact CD2-CG1 3.57Å; L795-V797 HydrophobicContact CG-CG1 3.84Å; V797-W799 HydrophobicContact CB-CH2 4.19Å; V797-W799 HydrophobicContact CB-CZ3 4.31Å; V797-W799 HydrophobicContact CG2-CH2 3.43Å; V797-W799 VanDerWaalsContact CG2-CH2 3.43Å; V797-W799 HydrophobicContact CG2-CZ2 4.3Å; V797-W799 HydrophobicContact CG2-CZ3 3.66Å
798	Q	98.3	Very high	93.9	Very high	61 Å²	61	62.4 Å²	62.4	29%	0.285	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	137.2	-171.8	-70.1	158	53	0	0	110.5	I754 E755 N784 D785 A786	I754-Q798 WeakPolarHBondContact O-CA 3.18Å; E755-Q798 HydrophobicContact CB-CG 4.18Å; E755-Q798 HydrophobicContact CG-CG 3.8Å; N784-Q798 CarbonylContact C-O 3.59Å; N784-Q798 WeakPolarHBondContact CA-O 3.1Å; N784-Q798 VanDerWaalsContact CB-O 3.31Å; N784-Q798 WeakPolarHBondContact CB-O 3.34Å; D785-Q798 PolarHBondContact N-O 3.3Å; A786-Q798 HydrophobicContact CB-CB 4.12Å; A786-Q798 PolarHBondContact N-O 3.01Å; A786-Q798 PolarHBondContact O-N 2.88Å
799	W	98.6	Very high	93.8	Very high	3 Å²	3	61 Å²	61	1%	0.011	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119.5	173.9	-61.7	-98.2	0	0	0	109.2	S753 I754 A756 F766 I768 F782 N784 D785 V797 Q803 L804 V826	S753-W799 WeakPolarHBondContact CA-O 3.45Å; I754-W799 HydrophobicContact CB-CE3 4.19Å; I754-W799 HydrophobicContact CG2-CE3 3.89Å; I754-W799 HydrophobicContact CG2-CZ3 4.15Å; I754-W799 PolarHBondContact N-O 3.18Å; I754-W799 PolarHBondContact O-N 2.77Å; A756-W799 HydrophobicContact CB-CH2 4.28Å; A756-W799 HydrophobicContact CB-CZ3 3.91Å; F766-W799 HydrophobicContact CB-CH2 4.29Å; F766-W799 HydrophobicContact CB-CZ2 3.81Å; F766-W799 WeakPolarHBondContact O-CZ2 3.42Å; F766-W799 PolarHBondContact O-NE1 3.37Å; F766-W799 VanDerWaalsContact O-NE1 3.09Å; I768-W799 HydrophobicContact CD1-CD2 3.86Å; I768-W799 HydrophobicContact CD1-CE3 3.79Å; I768-W799 HydrophobicContact CD1-CH2 3.96Å; I768-W799 HydrophobicContact CD1-CZ2 4.03Å; I768-W799 HydrophobicContact CD1-CZ3 3.85Å; I768-W799 HydrophobicContact CG1-CD2 4.29Å; I768-W799 HydrophobicContact CG1-CE3 4.49Å; I768-W799 HydrophobicContact CG1-CH2 3.9Å; I768-W799 HydrophobicContact CG1-CZ2 3.66Å; I768-W799 HydrophobicContact CG1-CZ3 4.32Å; F782-W799 PolarHBondContact O-NE1 3.25Å; N784-W799 HydrophobicContact CB-CD2 4.04Å; N784-W799 HydrophobicContact CB-CG 4.31Å; N784-W799 HydrophobicContact CB-CZ2 4.08Å; D785-W799 WeakPolarHBondContact OD1-CA 3.16Å; V797-W799 HydrophobicContact CB-CH2 4.19Å; V797-W799 HydrophobicContact CB-CZ3 4.31Å; V797-W799 HydrophobicContact CG2-CH2 3.43Å; V797-W799 VanDerWaalsContact CG2-CH2 3.43Å; V797-W799 HydrophobicContact CG2-CZ2 4.3Å; V797-W799 HydrophobicContact CG2-CZ3 3.66Å; W799-Q803 HydrophobicContact CB-CB 4.22Å; W799-L804 HydrophobicContact CB-CD1 4.13Å; W799-L804 HydrophobicContact CB-CD2 3.69Å; W799-L804 HydrophobicContact CB-CG 3.86Å; W799-L804 HydrophobicContact CG-CD2 4.11Å; W799-V826 HydrophobicContact CH2-CG1 4.03Å; W799-V826 HydrophobicContact CZ2-CG1 4.47Å
800	S	97.9	Very high	93.7	Very high	37 Å²	37	63 Å²	63	26%	0.259	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	163.2	166.7	77.7	0	0	0	0	111.6	D785 R802 Q803	D785-S800 PolarHBondContact OD1-N 3.11Å; D785-S800 VanDerWaalsContact OD2-CB 3.3Å; D785-S800 WeakPolarHBondContact OD2-CB 3.48Å; D785-S800 PolarHBondContact OD2-OG 2.81Å; S800-R802 PolarHBondContact O-N 3.23Å; S800-R802 PolarHBondContact OG-N 3.3Å; S800-Q803 PolarHBondContact O-N 2.77Å
801	S	96.9	Very high	93.7	Very high	71 Å²	71	57.7 Å²	57.7	50%	0.497	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-15.8	172.5	53	0	0	0	0	115.4	F751 E752	F751-S801 WeakPolarHBondContact O-CB 3.09Å; E752-S801 WeakPolarHBondContact O-CB 3.32Å; E752-S801 PolarHBondContact O-N 3.27Å; E752-S801 VanDerWaalsContact O-N 3.1Å
802	R	96.9	Very high	93.8	Very high	213 Å²	213	54.1 Å²	54.1	80%	0.804	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-28.7	173.7	-61.3	-178.6	-179.4	179.1	1	112.9	S800	S800-R802 PolarHBondContact O-N 3.23Å; S800-R802 PolarHBondContact OG-N 3.3Å
803	Q	97.8	Very high	93.8	Very high	42 Å²	42	49.3 Å²	49.3	20%	0.196	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-17.4	-179.9	-46	-52.2	-20.2	0	0	112.5	S781 F782 E783 D785 W799 S800	S781-Q803 CarbonylContact C-O 3.6Å; S781-Q803 WeakPolarHBondContact CA-O 3.19Å; S781-Q803 VanDerWaalsContact CB-O 3.26Å; S781-Q803 WeakPolarHBondContact CB-O 3.34Å; F782-Q803 HydrophobicContact CB-CB 4.18Å; F782-Q803 PolarHBondContact N-O 3.34Å; E783-Q803 WeakPolarHBondContact O-CG 3.03Å; D785-Q803 HydrophobicContact CB-CG 3.98Å; D785-Q803 VanDerWaalsContact CG-CG 3.41Å; D785-Q803 WeakPolarHBondContact OD2-CG 3.24Å; D785-Q803 PolarHBondContact OD2-NE2 3.12Å; W799-Q803 HydrophobicContact CB-CB 4.22Å; S800-Q803 PolarHBondContact O-N 2.77Å
804	L	98.3	Very high	93.4	Very high	17 Å²	17	46 Å²	46	9%	0.089	23%	0.228	C	C	.	.	S	Bend	trans	-98.7	137	-168.7	-63.2	173	0	0	0	112.1	F751 I754 I768 F770 W799	F751-L804 HydrophobicContact CB-CB 4.09Å; F751-L804 HydrophobicContact CB-CD1 3.6Å; F751-L804 HydrophobicContact CB-CG 4.43Å; F751-L804 HydrophobicContact CG-CD1 4.44Å; I754-L804 HydrophobicContact CB-CD1 4.13Å; I754-L804 HydrophobicContact CD1-CD1 4.1Å; I754-L804 HydrophobicContact CD1-CD2 3.87Å; I754-L804 HydrophobicContact CG1-CD1 3.78Å; I754-L804 HydrophobicContact CG1-CD2 4.34Å; I768-L804 HydrophobicContact CD1-CD2 4.45Å; F770-L804 HydrophobicContact CZ-CD2 4.23Å; W799-L804 HydrophobicContact CB-CD1 4.13Å; W799-L804 HydrophobicContact CB-CD2 3.69Å; W799-L804 HydrophobicContact CB-CG 3.86Å; W799-L804 HydrophobicContact CG-CD2 4.11Å
805	P	97.6	Very high	92.7	Very high	25 Å²	25	45.3 Å²	45.3	16%	0.162	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-76.8	147.5	-178.9	32.4	-34.8	0	0	0	111.6	F770 K779 L807	F770-P805 HydrophobicContact CD2-CG 3.81Å; F770-P805 HydrophobicContact CE2-CG 3.69Å; F770-P805 HydrophobicContact CZ-CG 4.47Å; K779-P805 HydrophobicContact CB-CB 4.35Å; K779-P805 HydrophobicContact CB-CG 4.21Å; P805-L807 HydrophobicContact CB-CD2 4.27Å; P805-L807 HydrophobicContact CG-CD2 3.89Å
806	T	96.8	Very high	92	Very high	73 Å²	73	45.9 Å²	45.9	45%	0.448	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-80.8	118	160.2	-57.5	0	0	0	0	108.7	Y748 I749 E750	Y748-T806 HydrophobicContact CD1-CG2 3.96Å; Y748-T806 HydrophobicContact CG-CG2 4.38Å; I749-T806 WeakPolarHBondContact O-CA 3.45Å; E750-T806 HydrophobicContact CG-CG2 3.99Å
807	L	96.9	Very high	91.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-85.7	147.5	177.3	-42	174.6	0	0	0	109.9	I749 F751 F770 L775 K779 P805 L822	I749-L807 HydrophobicContact CB-CB 4.03Å; I749-L807 HydrophobicContact CB-CD1 4.4Å; I749-L807 HydrophobicContact CB-CG 4.44Å; I749-L807 HydrophobicContact CD1-CB 4.33Å; I749-L807 HydrophobicContact CD1-CD1 4.29Å; I749-L807 HydrophobicContact CG1-CB 4.39Å; I749-L807 PolarHBondContact N-O 2.86Å; I749-L807 PolarHBondContact O-N 3.45Å; F751-L807 HydrophobicContact CE2-CD1 3.87Å; F751-L807 HydrophobicContact CE2-CG 4.11Å; F751-L807 HydrophobicContact CZ-CD1 4.22Å; F770-L807 HydrophobicContact CB-CD1 4.08Å; F770-L807 HydrophobicContact CB-CD2 4.04Å; F770-L807 HydrophobicContact CD1-CD1 4.23Å; F770-L807 HydrophobicContact CG-CD1 4.32Å; F770-L807 HydrophobicContact CG-CD2 4.23Å; L775-L807 HydrophobicContact CD1-CD1 4.36Å; L775-L807 HydrophobicContact CD2-CB 3.96Å; K779-L807 HydrophobicContact CB-CD2 3.64Å; K779-L807 HydrophobicContact CG-CD2 3.76Å; P805-L807 HydrophobicContact CB-CD2 4.27Å; P805-L807 HydrophobicContact CG-CD2 3.89Å; L807-L822 HydrophobicContact CD1-CD1 3.66Å; L807-L822 HydrophobicContact CD1-CD2 4.11Å
808	K	93.4	Very high	91.2	Very high	112 Å²	112	45.1 Å²	45.1	49%	0.487	23%	0.225	S	C	.	.			trans	-122.3	101.5	-177.2	-63.9	-176.7	177.5	-165.8	0	109.6	Y748 L775	Y748-K808 HydrophobicContact CD1-CG 4.03Å; Y748-K808 HydrophobicContact CE1-CD 4.29Å; Y748-K808 HydrophobicContact CE1-CG 3.99Å; L775-K808 WeakPolarHBondContact CD2-O 3.25Å
809	P	90.6	Very high	90.7	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.019	22%	0.218	C	C	.	.			trans	-65	146.7	175.7	-25.5	36.9	0	0	0	113.1	A747 I749 C774 L811 L817	A747-P809 WeakPolarHBondContact O-CD 3.37Å; I749-P809 HydrophobicContact CD1-CG 3.98Å; I749-P809 HydrophobicContact CG1-CG 3.9Å; C774-P809 CarbonylContact O-C 3.51Å; C774-P809 WeakPolarHBondContact O-CA 3.5Å; P809-L811 PolarHBondContact O-N 3.45Å; P809-L817 HydrophobicContact CB-CD2 3.51Å; P809-L817 HydrophobicContact CG-CD2 3.71Å
810	I	85	Confident	90.4	Very high	80 Å²	80	43.9 Å²	43.9	41%	0.41	22%	0.22	S	C	.	.	S	Bend	trans	-65.1	-23.8	178.6	58.4	172.7	0	0	0	113.9	C774 E776 Y816	C774-I810 PolarHBondContact O-N 3.05Å; E776-I810 HydrophobicContact CG-CG2 3.54Å; I810-Y816 WeakPolarHBondContact CD1-OH 3.4Å; I810-Y816 HydrophobicContact CG1-CE1 4.26Å; I810-Y816 WeakPolarHBondContact CG1-OH 3.47Å
811	L	82.6	Confident	90.3	Very high	25 Å²	25	43 Å²	43	13%	0.131	21%	0.212	C	C	.	.			trans	-135.1	142.2	177.1	-63.3	173.9	0	0	0	109.8	F734 P809 Y816 L817	F734-L811 HydrophobicContact CB-CD1 3.63Å; P809-L811 PolarHBondContact O-N 3.45Å; L811-Y816 HydrophobicContact CB-CD1 3.6Å; L811-Y816 HydrophobicContact CB-CE1 3.82Å; L811-Y816 HydrophobicContact CB-CG 4.19Å; L811-Y816 HydrophobicContact CD1-CD1 4.26Å; L811-Y816 HydrophobicContact CD1-CD2 4.18Å; L811-Y816 HydrophobicContact CD1-CE1 4.37Å; L811-Y816 HydrophobicContact CD1-CE2 4.3Å; L811-Y816 HydrophobicContact CD1-CG 4.13Å; L811-Y816 HydrophobicContact CG-CD1 4.46Å; L811-Y816 HydrophobicContact CG-CE1 4.43Å; L811-L817 WeakPolarHBondContact O-CD2 3.39Å
812	A	85.3	Confident	90.4	Very high	8 Å²	8	39.6 Å²	39.6	7%	0.066	19%	0.188	C	C	.	.			trans	-98.8	3.3	-177.9	0	0	0	0	0	114.1	D745 A747 V875	D745-A812 WeakPolarHBondContact O-CB 3.2Å; A747-A812 HydrophobicContact CB-CB 3.8Å; A812-V875 WeakPolarHBondContact O-CG1 3.48Å
813	D	81.2	Confident	90.4	Very high	44 Å²	44	29.8 Å²	29.8	24%	0.235	15%	0.152	C	C	.	.			trans	-74.8	128.7	-176.8	-66	-67.8	0	0	0	111.5	E815 Y816 L817 R879	D813-E815 PolarHBondContact O-N 3.2Å; D813-Y816 WeakPolarHBondContact O-CB 3.45Å; D813-Y816 PolarHBondContact O-N 2.81Å; D813-L817 PolarHBondContact O-N 3.07Å; D813-R879 WeakPolarHBondContact OD1-CD 3.39Å; D813-R879 IonicContact OD1-CZ 2.68Å; D813-R879 IonicContact OD1-NE 3.2Å; D813-R879 IonicContact OD1-NH1 3.35Å; D813-R879 PolarHBondContact OD1-NH1 3.24Å; D813-R879 IonicContact OD2-NH1 2.71Å; D813-R879 PolarHBondContact OD2-NH1 2.84Å
814	I	83	Confident	90.4	Very high	26 Å²	26	27.9 Å²	27.9	13%	0.133	14%	0.143	C	C	.	.	H	α-helix	trans	-56.8	-41	-177.2	-60.2	-180	0	0	0	111	Y816 L817 Q818 I846 V875 L880 T882	I814-Y816 PolarHBondContact O-N 2.83Å; I814-L817 PolarHBondContact O-N 2.79Å; I814-Q818 WeakPolarHBondContact O-CB 3.19Å; I814-Q818 WeakPolarHBondContact O-CG 3.44Å; I814-Q818 PolarHBondContact O-N 2.89Å; I814-I846 HydrophobicContact CG2-CD1 4.28Å; I814-I846 HydrophobicContact CG2-CG2 4.46Å; I814-V875 HydrophobicContact CD1-CG1 4.35Å; I814-V875 HydrophobicContact CG1-CB 4.38Å; I814-V875 HydrophobicContact CG1-CG1 3.79Å; I814-V875 HydrophobicContact CG1-CG2 4.42Å; I814-L880 HydrophobicContact CD1-CD2 4.11Å; I814-T882 HydrophobicContact CG2-CG2 4.14Å
815	E	78.5	Confident	90.4	Very high	59 Å²	59	27 Å²	27	28%	0.276	14%	0.138	S	C	.	.	H	α-helix	trans	-59.4	-31.7	178.6	-62.4	-171.2	163.9	0	0	113.7	F734 D813 T882 R883 R885	F734-E815 HydrophobicContact CE1-CB 4.11Å; F734-E815 HydrophobicContact CZ-CB 4.15Å; D813-E815 PolarHBondContact O-N 3.2Å; E815-T882 HydrophobicContact CG-CG2 4.48Å; E815-T882 WeakPolarHBondContact OE1-CA 3.25Å; E815-R883 VanDerWaalsContact OE1-CB 3.26Å; E815-R883 WeakPolarHBondContact OE1-CB 3.35Å; E815-R883 PolarHBondContact OE1-N 3.36Å; E815-R885 PolarHBondContact O-NH2 3.35Å
816	Y	83	Confident	90.4	Very high	17 Å²	17	25.9 Å²	25.9	7%	0.067	13%	0.131	C	C	.	.	H	α-helix	trans	-81.2	-50.1	175.6	168	-104.4	0	0	0	110.9	F734 C774 I810 L811 D813 I814 Q818 D819 Q820	F734-Y816 HydrophobicContact CB-CD2 3.76Å; F734-Y816 HydrophobicContact CB-CE2 4.32Å; F734-Y816 HydrophobicContact CB-CG 4.44Å; F734-Y816 HydrophobicContact CD1-CD2 4.39Å; F734-Y816 AromaticContact CD2-CD2 3.55Å; F734-Y816 HydrophobicContact CD2-CD2 3.55Å; F734-Y816 HydrophobicContact CD2-CE2 4.46Å; F734-Y816 HydrophobicContact CD2-CG 4.35Å; F734-Y816 HydrophobicContact CE2-CD2 4.17Å; F734-Y816 AromaticContact CG-CD2 3.66Å; F734-Y816 HydrophobicContact CG-CD2 3.66Å; F734-Y816 HydrophobicContact CG-CG 4.22Å; C774-Y816 WeakPolarHBondContact CA-OH 3.38Å; C774-Y816 HydrophobicContact CB-CE1 3.89Å; C774-Y816 VanDerWaalsContact CB-OH 3.24Å; C774-Y816 WeakPolarHBondContact CB-OH 3.47Å; I810-Y816 WeakPolarHBondContact CD1-OH 3.4Å; I810-Y816 HydrophobicContact CG1-CE1 4.26Å; I810-Y816 WeakPolarHBondContact CG1-OH 3.47Å; L811-Y816 HydrophobicContact CB-CD1 3.6Å; L811-Y816 HydrophobicContact CB-CE1 3.82Å; L811-Y816 HydrophobicContact CB-CG 4.19Å; L811-Y816 HydrophobicContact CD1-CD1 4.26Å; L811-Y816 HydrophobicContact CD1-CD2 4.18Å; L811-Y816 HydrophobicContact CD1-CE1 4.37Å; L811-Y816 HydrophobicContact CD1-CE2 4.3Å; L811-Y816 HydrophobicContact CD1-CG 4.13Å; L811-Y816 HydrophobicContact CG-CD1 4.46Å; L811-Y816 HydrophobicContact CG-CE1 4.43Å; D813-Y816 WeakPolarHBondContact O-CB 3.45Å; D813-Y816 PolarHBondContact O-N 2.81Å; I814-Y816 PolarHBondContact O-N 2.83Å; Y816-Q818 VanDerWaalsContact C-N 3.31Å; Y816-Q818 PolarHBondContact O-N 3.33Å; Y816-D819 WeakPolarHBondContact O-CB 3.49Å; Y816-D819 PolarHBondContact O-N 3.06Å; Y816-D819 VanDerWaalsContact O-N 3.09Å; Y816-Q820 HydrophobicContact CD1-CG 4.31Å; Y816-Q820 HydrophobicContact CE1-CG 3.97Å; Y816-Q820 HydrophobicContact CE2-CG 4.37Å; Y816-Q820 VanDerWaalsContact CE2-NE2 3.32Å; Y816-Q820 WeakPolarHBondContact O-CG 3.34Å; Y816-Q820 PolarHBondContact O-NE2 2.85Å
817	L	88.1	Confident	90.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.3	-36.3	-174.3	-71.4	173.2	0	0	0	112.7	A747 P809 L811 D813 I814 D819 Q820 L842 I846 V873 V875	A747-L817 HydrophobicContact CB-CD1 3.8Å; P809-L817 HydrophobicContact CB-CD2 3.51Å; P809-L817 HydrophobicContact CG-CD2 3.71Å; L811-L817 WeakPolarHBondContact O-CD2 3.39Å; D813-L817 PolarHBondContact O-N 3.07Å; I814-L817 PolarHBondContact O-N 2.79Å; L817-D819 PolarHBondContact O-N 3.41Å; L817-D819 VanDerWaalsContact O-N 3.16Å; L817-Q820 PolarHBondContact O-N 2.89Å; L817-Q820 VanDerWaalsContact O-N 3.14Å; L817-L842 WeakPolarHBondContact O-CB 3.42Å; L817-I846 HydrophobicContact CB-CD1 3.93Å; L817-V873 HydrophobicContact CD1-CG1 4.11Å; L817-V875 HydrophobicContact CD1-CG2 3.6Å
818	Q	88.2	Confident	90.3	Very high	31 Å²	31	23.8 Å²	23.8	15%	0.145	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-11.6	178.8	74	-175	-8.6	0	0	113.7	I814 Y816 K843 I846 R885	I814-Q818 WeakPolarHBondContact O-CB 3.19Å; I814-Q818 WeakPolarHBondContact O-CG 3.44Å; I814-Q818 PolarHBondContact O-N 2.89Å; Y816-Q818 VanDerWaalsContact C-N 3.31Å; Y816-Q818 PolarHBondContact O-N 3.33Å; Q818-K843 HydrophobicContact CB-CB 4.5Å; Q818-K843 HydrophobicContact CB-CG 4.32Å; Q818-K843 VanDerWaalsContact O-CB 3.29Å; Q818-K843 WeakPolarHBondContact O-CB 3.46Å; Q818-I846 HydrophobicContact CB-CD1 3.75Å; Q818-R885 VanDerWaalsContact NE2-CZ 3.32Å
819	D	88	Confident	90.4	Very high	26 Å²	26	21.8 Å²	21.8	14%	0.139	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-5.7	175.9	-74.6	-16.7	0	0	0	113.8	T731 Y816 L817 H821 R885	T731-D819 HydrophobicContact CG2-CB 3.71Å; Y816-D819 WeakPolarHBondContact O-CB 3.49Å; Y816-D819 PolarHBondContact O-N 3.06Å; Y816-D819 VanDerWaalsContact O-N 3.09Å; L817-D819 PolarHBondContact O-N 3.41Å; L817-D819 VanDerWaalsContact O-N 3.16Å; D819-H821 PolarHBondContact O-ND1 3.38Å; D819-R885 IonicContact OD1-CZ 3.27Å; D819-R885 IonicContact OD1-NH1 3.35Å; D819-R885 PolarHBondContact OD1-NH1 2.86Å; D819-R885 IonicContact OD1-NH2 2.73Å; D819-R885 PolarHBondContact OD1-NH2 2.85Å; D819-R885 IonicContact OD2-CZ 3.36Å; D819-R885 IonicContact OD2-NH1 2.88Å; D819-R885 IonicContact OD2-NH2 3.14Å; D819-R885 PolarHBondContact OD2-NH2 3Å
820	Q	92.4	Very high	90.5	Very high	12 Å²	12	26.2 Å²	26.2	6%	0.056	13%	0.132	C	C	.	.			trans	-89.4	152	-175.5	-50.1	-53.2	-63	0	0	111.7	T773 C774 Y816 L817 L842	T773-Q820 PolarHBondContact OG1-OE1 2.92Å; C774-Q820 HydrophobicContact CB-CB 4.07Å; C774-Q820 HydrophobicContact CB-CG 3.63Å; Y816-Q820 HydrophobicContact CD1-CG 4.31Å; Y816-Q820 HydrophobicContact CE1-CG 3.97Å; Y816-Q820 HydrophobicContact CE2-CG 4.37Å; Y816-Q820 VanDerWaalsContact CE2-NE2 3.32Å; Y816-Q820 WeakPolarHBondContact O-CG 3.34Å; Y816-Q820 PolarHBondContact O-NE2 2.85Å; L817-Q820 PolarHBondContact O-N 2.89Å; L817-Q820 VanDerWaalsContact O-N 3.14Å; Q820-L842 HydrophobicContact CB-CD1 4.07Å; Q820-L842 WeakPolarHBondContact O-CB 3.43Å; Q820-L842 PolarHBondContact O-N 2.79Å
821	H	96.9	Very high	90.7	Very high	18 Å²	18	24.6 Å²	24.6	8%	0.083	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	142	175.7	-59	81.8	0	0	0	109.8	Y698 P699 S772 D819 V839 V840 A841	Y698-H821 HydrophobicContact CD2-CB 3.84Å; Y698-H821 AromaticContact CD2-CG 3.53Å; Y698-H821 AromaticContact CD2-ND1 3.53Å; Y698-H821 HydrophobicContact CE2-CB 4.22Å; P699-H821 PolarHBondContact O-NE2 2.89Å; S772-H821 VanDerWaalsContact CB-O 3.27Å; S772-H821 WeakPolarHBondContact CB-O 3.3Å; S772-H821 PolarHBondContact OG-O 3.37Å; D819-H821 PolarHBondContact O-ND1 3.38Å; H821-V839 HydrophobicContact CB-CG2 3.74Å; H821-V840 CarbonylContact C-O 3.58Å; H821-V840 VanDerWaalsContact CA-O 3.25Å; H821-V840 WeakPolarHBondContact CA-O 3.47Å; H821-A841 VanDerWaalsContact CD2-CA 3.49Å; H821-A841 WeakPolarHBondContact CD2-CA 3.46Å
822	L	97.5	Very high	91.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.8	167.6	-56.7	-175.9	0	0	0	108.7	I749 F751 L807 L824 V839 V840 L842 M871	I749-L822 HydrophobicContact CD1-CD1 4.2Å; I749-L822 HydrophobicContact CD1-CD2 4.05Å; I749-L822 HydrophobicContact CG2-CD1 4.39Å; F751-L822 HydrophobicContact CZ-CD1 3.97Å; L807-L822 HydrophobicContact CD1-CD1 3.66Å; L807-L822 HydrophobicContact CD1-CD2 4.11Å; L822-L824 HydrophobicContact CB-CD1 3.66Å; L822-V839 CarbonylContact O-C 3.56Å; L822-V839 WeakPolarHBondContact O-CA 3.5Å; L822-V840 PolarHBondContact N-O 2.68Å; L822-V840 PolarHBondContact O-N 2.96Å; L822-L842 HydrophobicContact CD1-CD2 4.12Å; L822-L842 HydrophobicContact CG-CD2 3.98Å; L822-M871 HydrophobicContact CD1-CE 4.03Å
823	L	97.9	Very high	91.4	Very high	8 Å²	8	34.5 Å²	34.5	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	125.4	167.8	-72.6	66.4	0	0	0	107.1	L591 F594 L598 Y698 Y771 C838 V839	L591-L823 HydrophobicContact CD1-CD2 3.9Å; L591-L823 HydrophobicContact CD2-CD2 4.03Å; F594-L823 HydrophobicContact CD1-CB 4.44Å; F594-L823 HydrophobicContact CD1-CD2 4.27Å; F594-L823 HydrophobicContact CD2-CD2 4.32Å; F594-L823 HydrophobicContact CE1-CB 3.75Å; F594-L823 HydrophobicContact CE1-CD2 4.36Å; F594-L823 HydrophobicContact CE1-CG 4.49Å; F594-L823 HydrophobicContact CE2-CB 4.27Å; F594-L823 HydrophobicContact CE2-CD2 4.38Å; F594-L823 HydrophobicContact CG-CD2 4.28Å; F594-L823 HydrophobicContact CZ-CB 3.66Å; F594-L823 HydrophobicContact CZ-CD2 4.42Å; L598-L823 WeakPolarHBondContact O-CD2 3.28Å; Y698-L823 HydrophobicContact CE2-CD1 4.31Å; Y771-L823 PolarHBondContact N-O 3.25Å; Y771-L823 PolarHBondContact O-N 3.4Å; L823-C838 WeakPolarHBondContact CA-O 3.49Å; L823-V839 HydrophobicContact CD1-CG2 4.35Å
824	L	98.1	Very high	92	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	136.9	178.8	-82.8	64.3	0	0	0	109.3	I768 E769 F770 L822 E837 C838 I867	I768-L824 HydrophobicContact CG2-CB 4.2Å; I768-L824 HydrophobicContact CG2-CD2 4.08Å; I768-L824 HydrophobicContact CG2-CG 3.95Å; E769-L824 WeakPolarHBondContact O-CA 3.46Å; F770-L824 HydrophobicContact CD1-CD1 3.86Å; F770-L824 HydrophobicContact CD1-CD2 4.25Å; F770-L824 HydrophobicContact CD1-CG 3.8Å; F770-L824 HydrophobicContact CE1-CD1 4.32Å; F770-L824 HydrophobicContact CE1-CD2 3.89Å; F770-L824 HydrophobicContact CE1-CG 3.93Å; L822-L824 HydrophobicContact CB-CD1 3.66Å; L824-E837 CarbonylContact O-C 3.59Å; L824-E837 VanDerWaalsContact O-CA 3.32Å; L824-E837 WeakPolarHBondContact O-CA 3.44Å; L824-C838 PolarHBondContact N-O 3.27Å; L824-C838 PolarHBondContact O-N 3.17Å; L824-I867 HydrophobicContact CD2-CD1 4.1Å
825	T	97.7	Very high	92.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.9	166.7	167.7	0	0	0	0	109.1	A593 F594 I768 E769 Y771 S834 G836	A593-T825 HydrophobicContact CB-CG2 4.38Å; F594-T825 HydrophobicContact CE2-CG2 4.47Å; F594-T825 HydrophobicContact CZ-CG2 3.97Å; I768-T825 WeakPolarHBondContact CA-O 3.41Å; E769-T825 HydrophobicContact CB-CG2 3.79Å; E769-T825 HydrophobicContact CG-CG2 4.5Å; E769-T825 PolarHBondContact N-O 3.36Å; E769-T825 PolarHBondContact O-N 3.36Å; Y771-T825 HydrophobicContact CD2-CG2 4.47Å; Y771-T825 HydrophobicContact CE2-CG2 4Å; T825-S834 VanDerWaalsContact OG1-CB 3.29Å; T825-S834 WeakPolarHBondContact OG1-CB 3.36Å; T825-S834 PolarHBondContact OG1-OG 3.3Å; T825-G836 WeakPolarHBondContact CA-O 3.2Å
826	V	97.7	Very high	93.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	113.5	176.6	-177.3	0	0	0	0	107.9	V758 F766 I768 W799 Y835 G836 L857 I867	V758-V826 HydrophobicContact CG2-CG1 4.16Å; F766-V826 HydrophobicContact CB-CG1 4.15Å; F766-V826 HydrophobicContact CD1-CG1 3.86Å; F766-V826 HydrophobicContact CG-CG1 4.32Å; I768-V826 HydrophobicContact CG1-CG2 4.48Å; W799-V826 HydrophobicContact CH2-CG1 4.03Å; W799-V826 HydrophobicContact CZ2-CG1 4.47Å; V826-Y835 PolarHBondContact O-N 2.72Å; V826-G836 PolarHBondContact N-O 3.42Å; V826-L857 HydrophobicContact CG2-CD1 4.25Å; V826-L857 HydrophobicContact CG2-CD2 3.96Å; V826-I867 HydrophobicContact CG2-CD1 4.05Å
827	K	96.5	Very high	94.1	Very high	28 Å²	28	30.8 Å²	30.8	12%	0.122	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	147.1	-174.2	-74.2	179.4	168.7	177.7	0	112.3	F766 F767 E769 Y832 E833	F766-K827 CarbonylContact C-O 3.56Å; F766-K827 VanDerWaalsContact CA-O 3.22Å; F766-K827 WeakPolarHBondContact CA-O 3.4Å; F766-K827 WeakPolarHBondContact CD1-O 3.14Å; F767-K827 HydrophobicContact CD1-CB 4.07Å; F767-K827 WeakPolarHBondContact CD1-O 3.46Å; F767-K827 HydrophobicContact CE1-CB 3.54Å; F767-K827 HydrophobicContact CE2-CB 4.19Å; F767-K827 HydrophobicContact CE2-CD 4.18Å; F767-K827 HydrophobicContact CZ-CB 3.61Å; F767-K827 HydrophobicContact CZ-CD 3.78Å; F767-K827 HydrophobicContact CZ-CG 4.35Å; F767-K827 PolarHBondContact N-O 3.23Å; F767-K827 PolarHBondContact O-N 2.7Å; E769-K827 HydrophobicContact CG-CD 4.44Å; E769-K827 IonicContact OE1-NZ 2.76Å; E769-K827 PolarHBondContact OE1-NZ 3.34Å; E769-K827 VanDerWaalsContact OE1-NZ 3.08Å; E769-K827 WeakPolarHBondContact OE2-CE 3.39Å; E769-K827 IonicContact OE2-NZ 2.83Å; E769-K827 PolarHBondContact OE2-NZ 3.22Å; K827-Y832 WeakPolarHBondContact CD-O 3.31Å; K827-E833 VanDerWaalsContact CA-O 3.24Å; K827-E833 WeakPolarHBondContact CA-O 3.41Å
828	S	95.9	Very high	94.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.007	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	149	174.2	70.4	0	0	0	0	112.1	K765 D830 Y832 E833	K765-S828 CarbonylContact O-C 3.39Å; K765-S828 WeakPolarHBondContact O-CA 3.39Å; S828-D830 VanDerWaalsContact C-N 3.31Å; S828-D830 WeakPolarHBondContact CB-OD1 2.93Å; S828-D830 PolarHBondContact OG-OD1 2.93Å; S828-Y832 VanDerWaalsContact O-CA 3.27Å; S828-Y832 WeakPolarHBondContact O-CA 3.35Å; S828-Y832 PolarHBondContact O-N 3.32Å; S828-Y832 VanDerWaalsContact O-N 3.08Å; S828-E833 PolarHBondContact N-O 2.95Å
829	M	94.9	Very high	95	Very high	70 Å²	70	30 Å²	30	35%	0.345	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-16.9	-179.3	-71.9	-69.6	-67	0	0	113.7	K765 F767 E783	K765-M829 HydrophobicContact CB-CB 3.99Å; K765-M829 HydrophobicContact CB-CG 3.67Å; K765-M829 WeakPolarHBondContact O-CG 3.47Å; K765-M829 PolarHBondContact O-N 2.71Å; F767-M829 HydrophobicContact CB-SD 4.14Å; F767-M829 HydrophobicContact CD1-CG 4.25Å; F767-M829 HydrophobicContact CD1-SD 3.53Å; F767-M829 VanDerWaalsContact CD1-SD 3.53Å; F767-M829 HydrophobicContact CE1-SD 4.29Å; F767-M829 HydrophobicContact CG-SD 4.13Å; E783-M829 HydrophobicContact CB-CE 4.47Å; E783-M829 HydrophobicContact CB-CG 4.17Å; E783-M829 HydrophobicContact CB-SD 4.26Å
830	D	91.8	Very high	95.5	Very high	97 Å²	97	29 Å²	29	52%	0.519	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-51.1	-178.6	45.7	21.5	0	0	0	112.9	T764 S828	T764-D830 WeakPolarHBondContact CB-OD2 3.28Å; T764-D830 PolarHBondContact OG1-OD2 3.45Å; S828-D830 VanDerWaalsContact C-N 3.31Å; S828-D830 WeakPolarHBondContact CB-OD1 2.93Å; S828-D830 PolarHBondContact OG-OD1 2.93Å
831	G	89.1	Confident	95.7	Very high	46 Å²	46	28.7 Å²	28.7	47%	0.474	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-9.4	-176.1	0	0	0	0	0	115.4	E833	G831-E833 PolarHBondContact O-N 3.48Å
832	Y	91.6	Very high	95.6	Very high	129 Å²	129	27.8 Å²	27.8	51%	0.506	14%	0.143	S	C	.	.			trans	58	13.1	-173.2	-68.6	-106.8	0	0	0	114.3	F767 K827 S828	F767-Y832 AromaticContact CE1-CD1 3.89Å; F767-Y832 HydrophobicContact CE1-CD1 3.89Å; F767-Y832 HydrophobicContact CE1-CE1 4.05Å; F767-Y832 AromaticContact CZ-CD1 3.64Å; F767-Y832 HydrophobicContact CZ-CD1 3.64Å; F767-Y832 AromaticContact CZ-CE1 3.92Å; F767-Y832 HydrophobicContact CZ-CE1 3.92Å; K827-Y832 WeakPolarHBondContact CD-O 3.31Å; S828-Y832 VanDerWaalsContact O-CA 3.27Å; S828-Y832 WeakPolarHBondContact O-CA 3.35Å; S828-Y832 PolarHBondContact O-N 3.32Å; S828-Y832 VanDerWaalsContact O-N 3.08Å
833	E	91.7	Very high	95.2	Very high	112 Å²	112	30.7 Å²	30.7	52%	0.523	16%	0.155	S	C	.	.			trans	-74.3	143.1	177	-61.8	-155.8	112.1	0	0	111	K827 S828 G831	K827-E833 VanDerWaalsContact CA-O 3.24Å; K827-E833 WeakPolarHBondContact CA-O 3.41Å; S828-E833 PolarHBondContact N-O 2.95Å; G831-E833 PolarHBondContact O-N 3.48Å
834	S	94.4	Very high	94.7	Very high	11 Å²	11	33.7 Å²	33.7	8%	0.077	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	126.3	172	-175.6	0	0	0	0	110.1	T825 G836 E837 H859	T825-S834 VanDerWaalsContact OG1-CB 3.29Å; T825-S834 WeakPolarHBondContact OG1-CB 3.36Å; T825-S834 PolarHBondContact OG1-OG 3.3Å; S834-G836 PolarHBondContact OG-N 2.95Å; S834-E837 VanDerWaalsContact CB-OE1 3.31Å; S834-E837 WeakPolarHBondContact CB-OE1 3.41Å; S834-E837 PolarHBondContact OG-OE1 3.43Å; S834-H859 PolarHBondContact O-CD2 3.37Å; S834-H859 PolarHBondContact O-CE1 3.4Å; S834-H859 PolarHBondContact O-ND1 3.1Å; S834-H859 PolarHBondContact O-NE2 3.02Å
835	Y	95.4	Very high	94.3	Very high	55 Å²	55	34.3 Å²	34.3	22%	0.216	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-4.3	169.3	-79.7	-110.8	0	0	0	112	V758 F766 V826 T864	V758-Y835 HydrophobicContact CG1-CD1 4.02Å; V758-Y835 HydrophobicContact CG1-CG 4.16Å; F766-Y835 HydrophobicContact CE1-CD1 4.14Å; F766-Y835 AromaticContact CE1-CD2 3.64Å; F766-Y835 HydrophobicContact CE1-CD2 3.64Å; F766-Y835 HydrophobicContact CE1-CE2 4.1Å; F766-Y835 AromaticContact CE1-CG 3.65Å; F766-Y835 HydrophobicContact CE1-CG 3.65Å; F766-Y835 HydrophobicContact CZ-CD1 4.27Å; F766-Y835 HydrophobicContact CZ-CD2 4.38Å; F766-Y835 HydrophobicContact CZ-CE1 4.42Å; F766-Y835 HydrophobicContact CZ-CG 4.25Å; V826-Y835 PolarHBondContact O-N 2.72Å; Y835-T864 WeakPolarHBondContact O-CB 3.29Å; Y835-T864 PolarHBondContact O-OG1 3.13Å
836	G	96.1	Very high	93.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.9	136	177.3	0	0	0	0	0	113.7	T825 V826 S834 T864	T825-G836 WeakPolarHBondContact CA-O 3.2Å; V826-G836 PolarHBondContact N-O 3.42Å; S834-G836 PolarHBondContact OG-N 2.95Å; G836-T864 WeakPolarHBondContact CA-OG1 3.36Å
837	E	97	Very high	93.1	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	146.6	174.3	-56.8	90	-111.9	0	0	111.4	F594 L598 L824 S834 S858 H859	F594-E837 HydrophobicContact CD1-CB 3.71Å; F594-E837 HydrophobicContact CD1-CG 3.61Å; F594-E837 HydrophobicContact CE1-CB 3.89Å; F594-E837 HydrophobicContact CE1-CG 3.91Å; F594-E837 HydrophobicContact CG-CG 4.39Å; L598-E837 HydrophobicContact CD1-CB 3.41Å; L598-E837 VanDerWaalsContact CD1-CB 3.41Å; L824-E837 CarbonylContact O-C 3.59Å; L824-E837 VanDerWaalsContact O-CA 3.32Å; L824-E837 WeakPolarHBondContact O-CA 3.44Å; S834-E837 VanDerWaalsContact CB-OE1 3.31Å; S834-E837 WeakPolarHBondContact CB-OE1 3.41Å; S834-E837 PolarHBondContact OG-OE1 3.43Å; E837-S858 PolarHBondContact N-O 3.34Å; E837-S858 PolarHBondContact O-N 2.98Å; E837-H859 IonicContact OE1-CE1 2.98Å; E837-H859 IonicContact OE1-CG 3.7Å; E837-H859 IonicContact OE1-ND1 3.93Å; E837-H859 PolarHBondContact OE1-ND1 2.95Å; E837-H859 IonicContact OE2-ND1 2.56Å
838	C	97.4	Very high	92.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	178.2	168.8	75.3	0	0	0	0	112.4	L823 L824 T855 L857 I867	L823-C838 WeakPolarHBondContact CA-O 3.49Å; L824-C838 PolarHBondContact N-O 3.27Å; L824-C838 PolarHBondContact O-N 3.17Å; C838-T855 HydrophobicContact CB-CG2 3.68Å; C838-T855 VanDerWaalsContact SG-CG2 3.51Å; C838-L857 HydrophobicContact CB-CD2 4.17Å; C838-I867 HydrophobicContact CB-CG2 4.33Å; C838-I867 VanDerWaalsContact SG-CG2 3.52Å
839	V	97.6	Very high	91.9	Very high	13 Å²	13	45.4 Å²	45.4	8%	0.079	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	140.6	176	59.5	0	0	0	0	110.3	L598 Y698 P699 H821 L822 L823	L598-V839 HydrophobicContact CD2-CB 4.32Å; L598-V839 HydrophobicContact CD2-CG1 3.88Å; Y698-V839 HydrophobicContact CD1-CG1 4.28Å; Y698-V839 HydrophobicContact CD1-CG2 4.09Å; Y698-V839 HydrophobicContact CD2-CG2 4.32Å; Y698-V839 HydrophobicContact CE1-CG2 4.37Å; Y698-V839 HydrophobicContact CG-CG2 4.07Å; P699-V839 HydrophobicContact CG-CG1 4.27Å; H821-V839 HydrophobicContact CB-CG2 3.74Å; L822-V839 CarbonylContact O-C 3.56Å; L822-V839 WeakPolarHBondContact O-CA 3.5Å; L823-V839 HydrophobicContact CD1-CG2 4.35Å
840	V	97.7	Very high	91.8	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.042	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129.4	-179.9	-177.7	0	0	0	0	108.7	H821 L822 F853 T855 M871	H821-V840 CarbonylContact C-O 3.58Å; H821-V840 VanDerWaalsContact CA-O 3.25Å; H821-V840 WeakPolarHBondContact CA-O 3.47Å; L822-V840 PolarHBondContact N-O 2.68Å; L822-V840 PolarHBondContact O-N 2.96Å; V840-F853 HydrophobicContact CG1-CB 4.07Å; V840-F853 HydrophobicContact CG1-CD2 4.31Å; V840-F853 HydrophobicContact CG1-CG 4.07Å; V840-F853 HydrophobicContact CG2-CD2 3.75Å; V840-F853 HydrophobicContact CG2-CE2 3.96Å; V840-F853 HydrophobicContact CG2-CG 4.35Å; V840-T855 HydrophobicContact CG2-CG2 4.21Å; V840-M871 HydrophobicContact CG1-CE 4.17Å
841	A	96.5	Very high	91.9	Very high	4 Å²	4	42.6 Å²	42.6	3%	0.033	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	144.1	174.6	0	0	0	0	0	111.2	P699 E700 H821 M845	P699-A841 HydrophobicContact CB-CB 4.37Å; P699-A841 HydrophobicContact CG-CB 4.11Å; E700-A841 HydrophobicContact CB-CB 4.05Å; E700-A841 HydrophobicContact CG-CB 4.16Å; E700-A841 WeakPolarHBondContact OE1-CB 3.22Å; H821-A841 VanDerWaalsContact CD2-CA 3.49Å; H821-A841 WeakPolarHBondContact CD2-CA 3.46Å; A841-M845 WeakPolarHBondContact O-CG 3.47Å
842	L	94.7	Very high	92.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-87.4	-14.4	174.7	-63.2	-169.1	0	0	0	113.7	I749 L817 Q820 L822 S844 M845 M871 V873	I749-L842 HydrophobicContact CD1-CD1 3.57Å; I749-L842 HydrophobicContact CD1-CD2 4.23Å; I749-L842 HydrophobicContact CG1-CD1 4.5Å; L817-L842 WeakPolarHBondContact O-CB 3.42Å; Q820-L842 HydrophobicContact CB-CD1 4.07Å; Q820-L842 WeakPolarHBondContact O-CB 3.43Å; Q820-L842 PolarHBondContact O-N 2.79Å; L822-L842 HydrophobicContact CD1-CD2 4.12Å; L822-L842 HydrophobicContact CG-CD2 3.98Å; L842-S844 PolarHBondContact O-N 3.04Å; L842-M845 WeakPolarHBondContact O-CB 3.28Å; L842-M845 PolarHBondContact O-N 3.45Å; L842-M871 HydrophobicContact CD2-SD 4.09Å; L842-V873 HydrophobicContact CB-CG2 4.41Å; L842-V873 HydrophobicContact CD1-CG2 4.28Å; L842-V873 HydrophobicContact CD2-CG2 3.96Å; L842-V873 HydrophobicContact CG-CG2 4.45Å
843	K	88.8	Confident	92.5	Very high	60 Å²	60	42.9 Å²	42.9	26%	0.261	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-49.7	-52.7	-175.3	-173.5	162.5	-173.1	169	0	113.2	E700 Q818 M845 E888	E700-K843 HydrophobicContact CB-CB 4.41Å; E700-K843 WeakPolarHBondContact OE2-CB 3.47Å; Q818-K843 HydrophobicContact CB-CB 4.5Å; Q818-K843 HydrophobicContact CB-CG 4.32Å; Q818-K843 VanDerWaalsContact O-CB 3.29Å; Q818-K843 WeakPolarHBondContact O-CB 3.46Å; K843-M845 VanDerWaalsContact C-N 3.28Å; K843-M845 PolarHBondContact O-N 3.32Å; K843-E888 IonicContact NZ-OE1 3.64Å; K843-E888 PolarHBondContact NZ-OE1 3.18Å
844	S	88.8	Confident	92.8	Very high	72 Å²	72	43.4 Å²	43.4	50%	0.503	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-82.8	4.7	179.2	-69.5	0	0	0	0	114.7	E700 L842	E700-S844 WeakPolarHBondContact OE2-CB 3.49Å; E700-S844 PolarHBondContact OE2-N 2.96Å; E700-S844 PolarHBondContact OE2-OG 3.15Å; L842-S844 PolarHBondContact O-N 3.04Å
845	M	89.1	Confident	92.9	Very high	14 Å²	14	44 Å²	44	7%	0.069	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-110.5	-0.5	-172.5	-53.3	-66	160.2	0	0	113.9	A841 L842 K843 Q851 F853 M871 V873	A841-M845 WeakPolarHBondContact O-CG 3.47Å; L842-M845 WeakPolarHBondContact O-CB 3.28Å; L842-M845 PolarHBondContact O-N 3.45Å; K843-M845 VanDerWaalsContact C-N 3.28Å; K843-M845 PolarHBondContact O-N 3.32Å; M845-Q851 HydrophobicContact SD-CB 3.69Å; M845-F853 HydrophobicContact CE-CB 3.79Å; M845-M871 HydrophobicContact CB-CG 4.22Å; M845-M871 HydrophobicContact CB-SD 3.66Å; M845-M871 HydrophobicContact CG-CG 4.12Å; M845-M871 HydrophobicContact CG-SD 3.56Å; M845-M871 VanDerWaalsContact CG-SD 3.56Å; M845-M871 HydrophobicContact SD-CG 3.83Å; M845-M871 HydrophobicContact SD-SD 4.05Å; M845-V873 HydrophobicContact CB-CG2 4.16Å; M845-V873 PolarHBondContact O-N 3.49Å
846	I	87.4	Confident	92.9	Very high	46 Å²	46	46.2 Å²	46.2	24%	0.236	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-80.4	121.6	-178.6	-65.3	167	0	0	0	111.1	I814 L817 Q818 V873 V875	I814-I846 HydrophobicContact CG2-CD1 4.28Å; I814-I846 HydrophobicContact CG2-CG2 4.46Å; L817-I846 HydrophobicContact CB-CD1 3.93Å; Q818-I846 HydrophobicContact CB-CD1 3.75Å; I846-V873 HydrophobicContact CG1-CB 3.97Å; I846-V873 HydrophobicContact CG1-CG1 4.24Å; I846-V873 HydrophobicContact CG1-CG2 4.4Å; I846-V875 HydrophobicContact CG2-CG2 4.25Å
847	G	83.4	Confident	93	Very high	26 Å²	26	46.2 Å²	46.2	27%	0.268	26%	0.258	S	S	.	.	S	Bend	trans	162.7	173.8	-179.2	0	0	0	0	0	113.8	V873	G847-V873 PolarHBondContact N-O 3.05Å; G847-V873 VanDerWaalsContact N-O 3.09Å
848	S	79.1	Confident	92.9	Very high	101 Å²	101	46.3 Å²	46.3	71%	0.706	26%	0.259	S	S	*	.	S	Bend	trans	-83.1	-25.9	172	52.8	0	0	0	0	112.9
849	T	87.6	Confident	92.7	Very high	89 Å²	89	48.1 Å²	48.1	55%	0.546	27%	0.267	S	S	.	.	S	Bend	trans	-86.1	139	173.3	53.6	0	0	0	0	110.5	Q851	T849-Q851 PolarHBondContact OG1-NE2 3.27Å
850	A	91.9	Very high	92.3	Very high	26 Å²	26	53.3 Å²	53.3	22%	0.215	29%	0.286	C	S	.	.			trans	-70.6	147	172.2	0	0	0	0	0	112.2	E752 S870 M871 K872	E752-A850 VanDerWaalsContact CD-CB 3.4Å; E752-A850 HydrophobicContact CG-CB 4.31Å; E752-A850 WeakPolarHBondContact OE1-CB 3.36Å; E752-A850 WeakPolarHBondContact OE2-CB 3.4Å; A850-S870 VanDerWaalsContact CB-OG 3.23Å; A850-S870 WeakPolarHBondContact CB-OG 3.44Å; A850-M871 CarbonylContact C-O 3.57Å; A850-M871 VanDerWaalsContact CA-O 3.24Å; A850-M871 WeakPolarHBondContact CA-O 3.33Å; A850-K872 HydrophobicContact CB-CB 4.39Å; A850-K872 HydrophobicContact CB-CD 4.25Å
851	Q	94.9	Very high	91.8	Very high	81 Å²	81	53.2 Å²	53.2	38%	0.379	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	150.1	178.6	-58.8	-60.6	-15.8	0	0	108.9	M845 T849 S870 M871	M845-Q851 HydrophobicContact SD-CB 3.69Å; T849-Q851 PolarHBondContact OG1-NE2 3.27Å; Q851-S870 WeakPolarHBondContact O-CA 3.14Å; Q851-M871 PolarHBondContact N-O 3.29Å; Q851-M871 PolarHBondContact O-N 2.95Å
852	Q	96.2	Very high	91.5	Very high	169 Å²	169	57.4 Å²	57.4	79%	0.79	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	137.2	-179.5	-67.7	-178.1	-5.9	0	0	111.2	G869	Q852-G869 VanDerWaalsContact CA-O 3.31Å; Q852-G869 WeakPolarHBondContact CA-O 3.5Å
853	F	97	Very high	91.5	Very high	13 Å²	13	61.3 Å²	61.3	6%	0.057	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	152	166.6	71.2	-89	0	0	0	110.8	F751 I754 V840 M845 I867 R868 G869 M871	F751-F853 HydrophobicContact CD1-CE1 4.27Å; F751-F853 HydrophobicContact CE1-CE1 4.18Å; F751-F853 HydrophobicContact CE1-CZ 4.45Å; I754-F853 HydrophobicContact CD1-CZ 4.32Å; I754-F853 HydrophobicContact CG1-CZ 4.18Å; V840-F853 HydrophobicContact CG1-CB 4.07Å; V840-F853 HydrophobicContact CG1-CD2 4.31Å; V840-F853 HydrophobicContact CG1-CG 4.07Å; V840-F853 HydrophobicContact CG2-CD2 3.75Å; V840-F853 HydrophobicContact CG2-CE2 3.96Å; V840-F853 HydrophobicContact CG2-CG 4.35Å; M845-F853 HydrophobicContact CE-CB 3.79Å; F853-I867 HydrophobicContact CE2-CG1 4.47Å; F853-R868 CarbonylContact O-C 3.52Å; F853-R868 WeakPolarHBondContact O-CA 3.29Å; F853-R868 VanDerWaalsContact O-CB 3.29Å; F853-R868 WeakPolarHBondContact O-CB 3.22Å; F853-G869 WeakPolarHBondContact CD1-O 3.38Å; F853-G869 PolarHBondContact N-O 2.81Å; F853-G869 PolarHBondContact O-N 3Å; F853-M871 HydrophobicContact CD1-CE 4.2Å; F853-M871 HydrophobicContact CD1-CG 4.06Å; F853-M871 HydrophobicContact CE1-CE 4.09Å; F853-M871 HydrophobicContact CE1-CG 4.42Å
854	L	97.3	Very high	91.8	Very high	122 Å²	122	59.2 Å²	59.2	64%	0.639	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.2	130.8	171.5	170.4	65.2	0	0	0	107.7	N866 I867 R868	L854-N866 HydrophobicContact CD1-CB 4.5Å; L854-I867 WeakPolarHBondContact CA-O 3.34Å; L854-R868 HydrophobicContact CB-CB 4.34Å; L854-R868 HydrophobicContact CD1-CB 3.92Å
855	T	96.8	Very high	92.2	Very high	23 Å²	23	56.1 Å²	56.1	14%	0.141	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	162.1	178.3	-172.3	0	0	0	0	111.3	C838 V840 N866 I867	C838-T855 HydrophobicContact CB-CG2 3.68Å; C838-T855 VanDerWaalsContact SG-CG2 3.51Å; V840-T855 HydrophobicContact CG2-CG2 4.21Å; T855-N866 WeakPolarHBondContact O-CA 3.48Å; T855-I867 HydrophobicContact CG2-CG2 3.62Å; T855-I867 PolarHBondContact N-O 2.74Å; T855-I867 PolarHBondContact O-N 3.24Å
856	F	96.2	Very high	92.6	Very high	103 Å²	103	57.6 Å²	57.6	45%	0.452	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	132.9	-177.4	-55.8	-98.3	0	0	0	111.2	R650 E863	R650-F856 PolarHBondContact NH1-O 3Å; R650-F856 PolarHBondContact NH2-O 2.91Å; F856-E863 WeakPolarHBondContact CD1-OE1 3.41Å
857	L	97.2	Very high	93.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	133.4	171.2	-66.5	173.4	0	0	0	109.2	A756 V758 V826 C838 T864 G865 I867	A756-L857 HydrophobicContact CB-CD1 4.29Å; V758-L857 HydrophobicContact CG2-CD1 4.22Å; V826-L857 HydrophobicContact CG2-CD1 4.25Å; V826-L857 HydrophobicContact CG2-CD2 3.96Å; C838-L857 HydrophobicContact CB-CD2 4.17Å; L857-T864 PolarHBondContact O-N 3.4Å; L857-G865 PolarHBondContact N-O 3.37Å; L857-G865 PolarHBondContact O-N 3Å; L857-I867 HydrophobicContact CD1-CB 4.32Å; L857-I867 HydrophobicContact CD2-CB 4.13Å; L857-I867 HydrophobicContact CD2-CG2 3.72Å; L857-I867 HydrophobicContact CG-CB 4.14Å; L857-I867 HydrophobicContact CG-CG2 3.99Å
858	S	95.3	Very high	93.8	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	145.3	169.3	53.1	0	0	0	0	110.6	R650 E837 E862	R650-S858 PolarHBondContact NH2-OG 3.16Å; E837-S858 PolarHBondContact N-O 3.34Å; E837-S858 PolarHBondContact O-N 2.98Å; S858-E862 CarbonylContact C-O 3.57Å; S858-E862 WeakPolarHBondContact CA-O 3.45Å; S858-E862 WeakPolarHBondContact CB-O 3.39Å
859	H	94.1	Very high	94.7	Very high	39 Å²	39	55.6 Å²	55.6	18%	0.181	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.8	173.2	-172.3	57.8	0	0	0	109.5	S834 E837 G861 E862 T864	S834-H859 PolarHBondContact O-CD2 3.37Å; S834-H859 PolarHBondContact O-CE1 3.4Å; S834-H859 PolarHBondContact O-ND1 3.1Å; S834-H859 PolarHBondContact O-NE2 3.02Å; E837-H859 IonicContact OE1-CE1 2.98Å; E837-H859 IonicContact OE1-CG 3.7Å; E837-H859 IonicContact OE1-ND1 3.93Å; E837-H859 PolarHBondContact OE1-ND1 2.95Å; E837-H859 IonicContact OE2-ND1 2.56Å; H859-G861 PolarHBondContact O-N 3.43Å; H859-E862 PolarHBondContact N-O 2.66Å; H859-E862 PolarHBondContact O-N 3.4Å; H859-T864 HydrophobicContact CB-CG2 3.76Å
860	R	89	Confident	95.1	Very high	122 Å²	122	52.1 Å²	52.1	46%	0.46	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	30.4	174.5	-62.9	179.7	-163.2	-151	6.7	114.8	R582	R582-R860 HydrophobicContact CG-CB 4.12Å; R582-R860 HydrophobicContact CG-CG 4.44Å; R582-R860 VanDerWaalsContact CZ-O 3.31Å; R582-R860 PolarHBondContact NE-O 3.05Å; R582-R860 PolarHBondContact NH2-O 3.5Å
861	G	85.6	Confident	95.3	Very high	5 Å²	5	50.9 Å²	50.9	5%	0.052	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	-1.9	-178.5	0	0	0	0	0	117.6	D595 H859	D595-G861 PolarHBondContact OD2-N 2.89Å; H859-G861 PolarHBondContact O-N 3.43Å
862	E	91.5	Very high	95.2	Very high	92 Å²	92	48.3 Å²	48.3	43%	0.43	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	151.2	178.3	-66.9	168.9	-129.1	0	0	110.8	R582 S858 H859	R582-E862 IonicContact NH2-OE1 2.64Å; R582-E862 PolarHBondContact NH2-OE1 3.26Å; S858-E862 CarbonylContact C-O 3.57Å; S858-E862 WeakPolarHBondContact CA-O 3.45Å; S858-E862 WeakPolarHBondContact CB-O 3.39Å; H859-E862 PolarHBondContact N-O 2.66Å; H859-E862 PolarHBondContact O-N 3.4Å
863	E	94.6	Very high	95	Very high	81 Å²	81	40.3 Å²	40.3	38%	0.379	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	127.9	172.1	-166	171.2	124.5	0	0	110.5	L649 F856	L649-E863 HydrophobicContact CD2-CB 4.11Å; F856-E863 WeakPolarHBondContact CD1-OE1 3.41Å
864	T	95.8	Very high	94.6	Very high	16 Å²	16	45 Å²	45	10%	0.098	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	2.6	-177.9	56.5	0	0	0	0	113.4	K759 Y835 G836 L857 H859	K759-T864 WeakPolarHBondContact CB-O 3.13Å; K759-T864 PolarHBondContact N-O 3.12Å; Y835-T864 WeakPolarHBondContact O-CB 3.29Å; Y835-T864 PolarHBondContact O-OG1 3.13Å; G836-T864 WeakPolarHBondContact CA-OG1 3.36Å; L857-T864 PolarHBondContact O-N 3.4Å; H859-T864 HydrophobicContact CB-CG2 3.76Å
865	G	96.1	Very high	94	Very high	7 Å²	7	40.9 Å²	40.9	7%	0.072	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137.4	-144.1	170.3	0	0	0	0	0	112.5	I757 L857	I757-G865 WeakPolarHBondContact O-CA 3.21Å; L857-G865 PolarHBondContact N-O 3.37Å; L857-G865 PolarHBondContact O-N 3Å
866	N	97.4	Very high	92.8	Very high	46 Å²	46	41.5 Å²	41.5	25%	0.246	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	162.7	-177.3	62.5	69.1	0	0	0	112.4	A756 I757 L854 T855	A756-N866 CarbonylContact C-O 3.52Å; A756-N866 VanDerWaalsContact CA-O 3.32Å; A756-N866 WeakPolarHBondContact CA-O 3.41Å; I757-N866 PolarHBondContact N-O 3.02Å; I757-N866 PolarHBondContact O-N 3.44Å; I757-N866 VanDerWaalsContact O-N 3.08Å; L854-N866 HydrophobicContact CD1-CB 4.5Å; T855-N866 WeakPolarHBondContact O-CA 3.48Å
867	I	98.4	Very high	90.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	135.1	179.7	-174.8	170.5	0	0	0	109.8	I754 E755 A756 I768 L824 V826 C838 F853 L854 T855 L857	I754-I867 HydrophobicContact CG2-CD1 3.78Å; I754-I867 HydrophobicContact CG2-CG1 3.73Å; E755-I867 WeakPolarHBondContact O-CA 3.06Å; A756-I867 HydrophobicContact CB-CB 4.1Å; A756-I867 HydrophobicContact CB-CD1 4.36Å; A756-I867 HydrophobicContact CB-CG1 4.02Å; I768-I867 HydrophobicContact CD1-CD1 4.32Å; L824-I867 HydrophobicContact CD2-CD1 4.1Å; V826-I867 HydrophobicContact CG2-CD1 4.05Å; C838-I867 HydrophobicContact CB-CG2 4.33Å; C838-I867 VanDerWaalsContact SG-CG2 3.52Å; F853-I867 HydrophobicContact CE2-CG1 4.47Å; L854-I867 WeakPolarHBondContact CA-O 3.34Å; T855-I867 HydrophobicContact CG2-CG2 3.62Å; T855-I867 PolarHBondContact N-O 2.74Å; T855-I867 PolarHBondContact O-N 3.24Å; L857-I867 HydrophobicContact CD1-CB 4.32Å; L857-I867 HydrophobicContact CD2-CB 4.13Å; L857-I867 HydrophobicContact CD2-CG2 3.72Å; L857-I867 HydrophobicContact CG-CB 4.14Å; L857-I867 HydrophobicContact CG-CG2 3.99Å
868	R	98	Very high	88.9	Confident	120 Å²	120	51.4 Å²	51.4	45%	0.453	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157.7	176.9	60.2	-179.4	178.9	170.7	-0.5	111.2	I754 E755 F853 L854	I754-R868 CarbonylContact C-O 3.59Å; I754-R868 WeakPolarHBondContact CA-O 3.02Å; E755-R868 HydrophobicContact CB-CG 4.17Å; E755-R868 PolarHBondContact N-O 3.18Å; E755-R868 PolarHBondContact O-N 2.84Å; E755-R868 VanDerWaalsContact O-O 3.07Å; E755-R868 IonicContact OE1-CZ 3.66Å; E755-R868 IonicContact OE1-NE 3.36Å; E755-R868 PolarHBondContact OE1-NE 3.5Å; E755-R868 IonicContact OE1-NH2 3.5Å; E755-R868 PolarHBondContact OE1-NH2 3.21Å; E755-R868 IonicContact OE2-NH2 2.87Å; F853-R868 CarbonylContact O-C 3.52Å; F853-R868 WeakPolarHBondContact O-CA 3.29Å; F853-R868 VanDerWaalsContact O-CB 3.29Å; F853-R868 WeakPolarHBondContact O-CB 3.22Å; L854-R868 HydrophobicContact CB-CB 4.34Å; L854-R868 HydrophobicContact CD1-CB 3.92Å
869	G	97.3	Very high	86.9	Confident	10 Å²	10	53.9 Å²	53.9	10%	0.103	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	170.6	177.2	0	0	0	0	0	113.3	S753 Q852 F853	S753-G869 CarbonylContact O-C 3.6Å; S753-G869 WeakPolarHBondContact O-CA 3.42Å; Q852-G869 VanDerWaalsContact CA-O 3.31Å; Q852-G869 WeakPolarHBondContact CA-O 3.5Å; F853-G869 WeakPolarHBondContact CD1-O 3.38Å; F853-G869 PolarHBondContact N-O 2.81Å; F853-G869 PolarHBondContact O-N 3Å
870	S	97.3	Very high	84.8	Confident	16 Å²	16	57.1 Å²	57.1	11%	0.112	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.8	173.8	-176.6	0	0	0	0	108.9	F751 E752 S753 A850 Q851	F751-S870 CarbonylContact C-O 3.56Å; F751-S870 WeakPolarHBondContact CA-O 3.44Å; E752-S870 PolarHBondContact N-O 2.8Å; E752-S870 PolarHBondContact OE2-OG 2.95Å; S753-S870 PolarHBondContact O-N 3.14Å; A850-S870 VanDerWaalsContact CB-OG 3.23Å; A850-S870 WeakPolarHBondContact CB-OG 3.44Å; Q851-S870 WeakPolarHBondContact O-CA 3.14Å
871	M	95.9	Very high	82.8	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	159.9	179.8	68.9	150.4	59.7	0	0	113.3	I749 E750 F751 L822 V840 L842 M845 A850 Q851 F853	I749-M871 HydrophobicContact CG2-CE 4.46Å; I749-M871 HydrophobicContact CG2-SD 4.42Å; E750-M871 CarbonylContact O-C 3.53Å; E750-M871 WeakPolarHBondContact O-CA 3.49Å; F751-M871 HydrophobicContact CD1-CB 3.92Å; F751-M871 HydrophobicContact CD1-CE 4.17Å; F751-M871 HydrophobicContact CE1-CB 4.23Å; F751-M871 HydrophobicContact CE1-CE 3.35Å; F751-M871 HydrophobicContact CZ-CE 3.79Å; L822-M871 HydrophobicContact CD1-CE 4.03Å; V840-M871 HydrophobicContact CG1-CE 4.17Å; L842-M871 HydrophobicContact CD2-SD 4.09Å; M845-M871 HydrophobicContact CB-CG 4.22Å; M845-M871 HydrophobicContact CB-SD 3.66Å; M845-M871 HydrophobicContact CG-CG 4.12Å; M845-M871 HydrophobicContact CG-SD 3.56Å; M845-M871 VanDerWaalsContact CG-SD 3.56Å; M845-M871 HydrophobicContact SD-CG 3.83Å; M845-M871 HydrophobicContact SD-SD 4.05Å; A850-M871 CarbonylContact C-O 3.57Å; A850-M871 VanDerWaalsContact CA-O 3.24Å; A850-M871 WeakPolarHBondContact CA-O 3.33Å; Q851-M871 PolarHBondContact N-O 3.29Å; Q851-M871 PolarHBondContact O-N 2.95Å; F853-M871 HydrophobicContact CD1-CE 4.2Å; F853-M871 HydrophobicContact CD1-CG 4.06Å; F853-M871 HydrophobicContact CE1-CE 4.09Å; F853-M871 HydrophobicContact CE1-CG 4.42Å
872	K	92.2	Very high	81.1	Confident	27 Å²	27	57.7 Å²	57.7	12%	0.117	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	135.5	171.2	53.2	-154.3	169.4	-151.5	0	111.2	I749 E750 E752 A850 R874	I749-K872 WeakPolarHBondContact CA-O 3.43Å; E750-K872 HydrophobicContact CB-CG 4.01Å; E750-K872 PolarHBondContact N-O 3.34Å; E750-K872 PolarHBondContact O-N 2.79Å; E750-K872 WeakPolarHBondContact OE2-CE 3.42Å; E750-K872 IonicContact OE2-NZ 2.65Å; E752-K872 IonicContact OE1-NZ 3.85Å; E752-K872 PolarHBondContact OE1-NZ 3.02Å; A850-K872 HydrophobicContact CB-CB 4.39Å; A850-K872 HydrophobicContact CB-CD 4.25Å; K872-R874 HydrophobicContact CG-CG 4.47Å
873	V	92.6	Very high	79.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	100.6	168.2	-171.1	0	0	0	0	108.8	Y748 I749 L817 L842 M845 I846 G847 V875	Y748-V873 CarbonylContact O-C 3.52Å; Y748-V873 WeakPolarHBondContact O-CA 3.37Å; I749-V873 HydrophobicContact CG1-CG1 4.24Å; I749-V873 HydrophobicContact CG1-CG2 4.17Å; I749-V873 HydrophobicContact CG2-CG2 4.21Å; L817-V873 HydrophobicContact CD1-CG1 4.11Å; L842-V873 HydrophobicContact CB-CG2 4.41Å; L842-V873 HydrophobicContact CD1-CG2 4.28Å; L842-V873 HydrophobicContact CD2-CG2 3.96Å; L842-V873 HydrophobicContact CG-CG2 4.45Å; M845-V873 HydrophobicContact CB-CG2 4.16Å; M845-V873 PolarHBondContact O-N 3.49Å; I846-V873 HydrophobicContact CG1-CB 3.97Å; I846-V873 HydrophobicContact CG1-CG1 4.24Å; I846-V873 HydrophobicContact CG1-CG2 4.4Å; G847-V873 PolarHBondContact N-O 3.05Å; G847-V873 VanDerWaalsContact N-O 3.09Å; V873-V875 HydrophobicContact CG1-CG2 4.35Å
874	R	88.1	Confident	77.4	Confident	113 Å²	113	59.2 Å²	59.2	43%	0.426	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	128.3	176.9	-72.4	177.9	165.7	172.6	-5.3	110.2	A747 Y748 E750 K872	A747-R874 VanDerWaalsContact CA-O 3.25Å; A747-R874 WeakPolarHBondContact CA-O 3.44Å; A747-R874 WeakPolarHBondContact CB-O 3.29Å; Y748-R874 PolarHBondContact N-O 3.17Å; Y748-R874 PolarHBondContact O-N 3.37Å; E750-R874 WeakPolarHBondContact OE1-CD 3.44Å; E750-R874 IonicContact OE1-CZ 2.79Å; E750-R874 IonicContact OE1-NE 3.54Å; E750-R874 IonicContact OE1-NH1 3Å; E750-R874 PolarHBondContact OE1-NH1 3.1Å; E750-R874 WeakPolarHBondContact OE2-CD 3.13Å; E750-R874 IonicContact OE2-CZ 2.8Å; E750-R874 IonicContact OE2-NE 3.66Å; E750-R874 PolarHBondContact OE2-NE 2.79Å; E750-R874 VanDerWaalsContact OE2-NE 3.16Å; E750-R874 IonicContact OE2-NH1 3.58Å; E750-R874 PolarHBondContact OE2-NH1 3.37Å; E750-R874 IonicContact OE2-NH2 3.21Å; K872-R874 HydrophobicContact CG-CG 4.47Å
875	V	84	Confident	75.9	Confident	34 Å²	34	59.2 Å²	59.2	21%	0.206	30%	0.303	C	S	.	.			trans	-129.5	138.4	179.8	179.5	0	0	0	0	110	A747 A812 I814 L817 I846 V873	A747-V875 HydrophobicContact CB-CG2 4.36Å; A812-V875 WeakPolarHBondContact O-CG1 3.48Å; I814-V875 HydrophobicContact CD1-CG1 4.35Å; I814-V875 HydrophobicContact CG1-CB 4.38Å; I814-V875 HydrophobicContact CG1-CG1 3.79Å; I814-V875 HydrophobicContact CG1-CG2 4.42Å; L817-V875 HydrophobicContact CD1-CG2 3.6Å; I846-V875 HydrophobicContact CG2-CG2 4.25Å; V873-V875 HydrophobicContact CG1-CG2 4.35Å
876	P	71.8	Confident	74.1	Confident	36 Å²	36	59.1 Å²	59.1	23%	0.234	30%	0.301	C	S	.	.			trans	-58.4	137.6	176.6	-26.8	35.8	0	0	0	114.1	E878	P876-E878 PolarHBondContact O-N 2.83Å
877	T	57.3	Low	72.2	Confident	124 Å²	124	58.4 Å²	58.4	76%	0.761	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.6	-164.5	-34.2	0	0	0	0	115.9
878	E	53.9	Low	70.6	Confident	188 Å²	188	62.6 Å²	62.6	88%	0.879	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-11.1	-171.7	-60.8	-169.4	164.9	0	0	114.6	P876	P876-E878 PolarHBondContact O-N 2.83Å
879	R	53.9	Low	69.2	Low	54 Å²	54	57.3 Å²	57.3	20%	0.204	30%	0.295	C	S	.	.			trans	-106.2	35.8	-171.2	-52	-160.4	-167.7	-173.2	7.8	114.7	D745 D813 G881	D745-R879 IonicContact OD2-NH2 3.7Å; D813-R879 WeakPolarHBondContact OD1-CD 3.39Å; D813-R879 IonicContact OD1-CZ 2.68Å; D813-R879 IonicContact OD1-NE 3.2Å; D813-R879 IonicContact OD1-NH1 3.35Å; D813-R879 PolarHBondContact OD1-NH1 3.24Å; D813-R879 IonicContact OD2-NH1 2.71Å; D813-R879 PolarHBondContact OD2-NH1 2.84Å; R879-G881 PolarHBondContact O-N 3Å
880	L	50.4	Low	68	Low	108 Å²	108	58.3 Å²	58.3	57%	0.565	30%	0.298	S	S	*	.			trans	-76.3	39.1	179.8	-70.4	170.3	0	0	0	114.4	I814	I814-L880 HydrophobicContact CD1-CD2 4.11Å
881	G	46.5	Very low	67.1	Low	47 Å²	47	59 Å²	59	49%	0.485	30%	0.303	S	S	.	.			trans	-107.8	130.1	171.6	0	0	0	0	0	110.4	R879	R879-G881 PolarHBondContact O-N 3Å
882	T	49.4	Very low	66.1	Low	91 Å²	91	63.8 Å²	63.8	56%	0.558	33%	0.327	S	S	*	.			trans	-131.2	122.7	173.1	46.1	0	0	0	0	110.9	I814 E815	I814-T882 HydrophobicContact CG2-CG2 4.14Å; E815-T882 HydrophobicContact CG-CG2 4.48Å; E815-T882 WeakPolarHBondContact OE1-CA 3.25Å
883	R	53.5	Low	65.4	Low	86 Å²	86	65 Å²	65	33%	0.325	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-61.5	124.9	170	166.1	177.5	165.2	165.5	-4.1	110.6	E421 D423 E815 R885	E421-R883 PolarHBondContact O-NH2 3.36Å; D423-R883 IonicContact OD1-CZ 3.37Å; D423-R883 IonicContact OD1-NE 2.75Å; D423-R883 IonicContact OD1-NH2 2.68Å; D423-R883 PolarHBondContact OD1-NH2 3.32Å; D423-R883 IonicContact OD2-CZ 3.54Å; D423-R883 IonicContact OD2-NE 2.66Å; D423-R883 PolarHBondContact OD2-NE 2.95Å; D423-R883 IonicContact OD2-NH2 3.84Å; D423-R883 PolarHBondContact OD2-NH2 3.44Å; E815-R883 VanDerWaalsContact OE1-CB 3.26Å; E815-R883 WeakPolarHBondContact OE1-CB 3.35Å; E815-R883 PolarHBondContact OE1-N 3.36Å; R883-R885 PolarHBondContact O-N 3.43Å
884	E	55.9	Low	63.3	Low	119 Å²	119	74 Å²	74	56%	0.556	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-57	125.2	167.8	-70.7	-178.3	-170.7	0	0	109.8	R366	R366-E884 IonicContact NH1-OE1 2.78Å; R366-E884 PolarHBondContact NH1-OE1 3.49Å
885	R	63.5	Low	61.1	Low	17 Å²	17	72.7 Å²	72.7	6%	0.064	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-89.4	149.2	-179.2	-62	-176.6	168.2	-176.9	-6.6	112.6	E815 Q818 D819 R883 Y887 E888 W889	E815-R885 PolarHBondContact O-NH2 3.35Å; Q818-R885 VanDerWaalsContact NE2-CZ 3.32Å; D819-R885 IonicContact OD1-CZ 3.27Å; D819-R885 IonicContact OD1-NH1 3.35Å; D819-R885 PolarHBondContact OD1-NH1 2.86Å; D819-R885 IonicContact OD1-NH2 2.73Å; D819-R885 PolarHBondContact OD1-NH2 2.85Å; D819-R885 IonicContact OD2-CZ 3.36Å; D819-R885 IonicContact OD2-NH1 2.88Å; D819-R885 IonicContact OD2-NH2 3.14Å; D819-R885 PolarHBondContact OD2-NH2 3Å; R883-R885 PolarHBondContact O-N 3.43Å; R885-Y887 VanDerWaalsContact C-N 3.28Å; R885-Y887 HydrophobicContact CB-CD1 4.47Å; R885-Y887 HydrophobicContact CB-CE1 4.27Å; R885-Y887 HydrophobicContact CB-CE2 4.37Å; R885-Y887 WeakPolarHBondContact CD-OH 3.44Å; R885-Y887 PolarHBondContact NH1-OH 2.98Å; R885-Y887 PolarHBondContact O-N 2.76Å; R885-E888 HydrophobicContact CB-CB 4.28Å; R885-E888 HydrophobicContact CB-CG 4.06Å; R885-E888 WeakPolarHBondContact CB-OE2 3.48Å; R885-E888 PolarHBondContact O-N 3.24Å; R885-W889 PolarHBondContact O-N 2.95Å
886	L	58.6	Low	58.7	Low	4 Å²	4	78.9 Å²	78.9	2%	0.021	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-27.1	-175.2	-68.7	165.3	0	0	0	113.8	K413 N414 D423 W889	K413-L886 HydrophobicContact CB-CD2 4.37Å; K413-L886 HydrophobicContact CD-CD2 3.79Å; K413-L886 HydrophobicContact CG-CD2 3.77Å; N414-L886 VanDerWaalsContact OD1-CD1 3.31Å; N414-L886 WeakPolarHBondContact OD1-CD1 3.3Å; N414-L886 WeakPolarHBondContact OD1-CD2 3.44Å; D423-L886 HydrophobicContact CB-CD1 4.22Å; L886-W889 WeakPolarHBondContact O-CB 3.46Å
887	Y	58.3	Low	56.8	Low	31 Å²	31	82.9 Å²	82.9	12%	0.122	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-35.3	171.7	47.7	-94.2	0	0	0	113.8	M424 H702 R885 W889 I890	M424-Y887 HydrophobicContact CE-CD1 4.35Å; M424-Y887 HydrophobicContact CE-CG 4.48Å; H702-Y887 HydrophobicContact CB-CD1 4.16Å; H702-Y887 HydrophobicContact CB-CD2 4.01Å; H702-Y887 HydrophobicContact CB-CE1 4.24Å; H702-Y887 HydrophobicContact CB-CE2 4.11Å; H702-Y887 HydrophobicContact CB-CG 4.03Å; H702-Y887 VanDerWaalsContact CE1-CB 3.49Å; H702-Y887 WeakPolarHBondContact CE1-CB 3.44Å; H702-Y887 AromaticContact CG-CG 3.73Å; H702-Y887 AromaticContact ND1-CD2 3.94Å; H702-Y887 AromaticContact ND1-CG 3.86Å; R885-Y887 VanDerWaalsContact C-N 3.28Å; R885-Y887 HydrophobicContact CB-CD1 4.47Å; R885-Y887 HydrophobicContact CB-CE1 4.27Å; R885-Y887 HydrophobicContact CB-CE2 4.37Å; R885-Y887 WeakPolarHBondContact CD-OH 3.44Å; R885-Y887 PolarHBondContact NH1-OH 2.98Å; R885-Y887 PolarHBondContact O-N 2.76Å; Y887-W889 PolarHBondContact O-N 2.86Å; Y887-W889 VanDerWaalsContact O-N 3.12Å; Y887-I890 PolarHBondContact O-N 2.88Å
888	E	63.8	Low	55.9	Low	88 Å²	88	81.1 Å²	81.1	41%	0.411	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-15.8	178.8	-64.8	174.4	160.6	0	0	112.3	K843 R885 I890	K843-E888 IonicContact NZ-OE1 3.64Å; K843-E888 PolarHBondContact NZ-OE1 3.18Å; R885-E888 HydrophobicContact CB-CB 4.28Å; R885-E888 HydrophobicContact CB-CG 4.06Å; R885-E888 WeakPolarHBondContact CB-OE2 3.48Å; R885-E888 PolarHBondContact O-N 3.24Å; E888-I890 PolarHBondContact O-N 3.04Å
889	W	68	Low	54.6	Low	9 Å²	9	76.4 Å²	76.4	3%	0.034	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.2	165.8	-170.5	53.4	0	0	0	114.6	I365 Q367 L368 L409 Q410 K413 R885 L886 Y887	I365-W889 HydrophobicContact CB-CZ2 3.89Å; I365-W889 HydrophobicContact CG2-CH2 4.49Å; I365-W889 HydrophobicContact CG2-CZ2 3.56Å; I365-W889 PolarHBondContact O-NE1 3.47Å; Q367-W889 WeakPolarHBondContact CA-O 3.37Å; Q367-W889 VanDerWaalsContact CG-O 3.29Å; Q367-W889 WeakPolarHBondContact CG-O 3.49Å; L368-W889 HydrophobicContact CD1-CD2 4.48Å; L368-W889 HydrophobicContact CD1-CE3 3.98Å; L368-W889 HydrophobicContact CD1-CH2 3.98Å; L368-W889 HydrophobicContact CD1-CZ2 4.41Å; L368-W889 HydrophobicContact CD1-CZ3 3.7Å; L368-W889 HydrophobicContact CG-CD2 4.33Å; L368-W889 HydrophobicContact CG-CE3 4.33Å; L368-W889 HydrophobicContact CG-CH2 4.36Å; L368-W889 HydrophobicContact CG-CZ2 4.3Å; L368-W889 HydrophobicContact CG-CZ3 4.33Å; L368-W889 PolarHBondContact N-O 3.35Å; L409-W889 HydrophobicContact CB-CH2 3.85Å; L409-W889 HydrophobicContact CB-CZ3 4.18Å; L409-W889 WeakPolarHBondContact O-CH2 3.4Å; Q410-W889 HydrophobicContact CG-CE3 4.22Å; Q410-W889 HydrophobicContact CG-CZ3 3.98Å; K413-W889 HydrophobicContact CB-CH2 4.02Å; K413-W889 HydrophobicContact CB-CZ3 4.19Å; K413-W889 HydrophobicContact CD-CD2 3.71Å; K413-W889 HydrophobicContact CD-CE3 3.91Å; K413-W889 HydrophobicContact CD-CG 4.22Å; K413-W889 HydrophobicContact CD-CH2 3.9Å; K413-W889 HydrophobicContact CD-CZ2 3.74Å; K413-W889 HydrophobicContact CD-CZ3 4.02Å; K413-W889 VanDerWaalsContact NZ-CG 3.29Å; R885-W889 PolarHBondContact O-N 2.95Å; L886-W889 WeakPolarHBondContact O-CB 3.46Å; Y887-W889 PolarHBondContact O-N 2.86Å; Y887-W889 VanDerWaalsContact O-N 3.12Å
890	I	73.3	Confident	53.8	Low	32 Å²	32	84.5 Å²	84.5	16%	0.164	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	107.1	177.4	-55	-160	0	0	0	109.4	L368 K370 C406 Q410 Y887 E888	L368-I890 HydrophobicContact CB-CG1 4.18Å; L368-I890 HydrophobicContact CD1-CD1 3.98Å; L368-I890 HydrophobicContact CD1-CG1 4.15Å; L368-I890 CarbonylContact O-C 3.6Å; L368-I890 WeakPolarHBondContact O-CA 3.32Å; K370-I890 HydrophobicContact CD-CG2 3.76Å; K370-I890 HydrophobicContact CG-CG2 4.04Å; C406-I890 HydrophobicContact CB-CD1 4.16Å; Q410-I890 HydrophobicContact CG-CD1 3.7Å; Q410-I890 VanDerWaalsContact OE1-CD1 3.32Å; Y887-I890 PolarHBondContact O-N 2.88Å; E888-I890 PolarHBondContact O-N 3.04Å
891	S	77.5	Confident	52.7	Low	31 Å²	31	84.3 Å²	84.3	22%	0.217	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	161.1	173.2	58.7	0	0	0	0	111.8	Q367 L368 I369 K370	Q367-S891 PolarHBondContact NE2-OG 3.49Å; L368-S891 PolarHBondContact O-N 2.56Å; I369-S891 WeakPolarHBondContact CA-O 3.45Å; K370-S891 PolarHBondContact N-O 3.47Å
892	I	75.9	Confident	51.9	Low	100 Å²	100	91.8 Å²	91.8	51%	0.513	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.3	165	-60.5	175.3	0	0	0	106.8	K370 Q372 K894	K370-I892 HydrophobicContact CB-CG1 4.38Å; K370-I892 WeakPolarHBondContact O-CA 3.24Å; Q372-I892 HydrophobicContact CB-CG2 3.92Å; I892-K894 PolarHBondContact O-N 3.24Å; I892-K894 VanDerWaalsContact O-N 3.14Å
893	D	77.3	Confident	50.8	Low	54 Å²	54	93.5 Å²	93.5	29%	0.289	50%	0.504	S	S	.	.			trans	-60.3	113.6	177.2	-125.3	-18.3	0	0	0	108.6	I369 K370 R391	I369-D893 HydrophobicContact CG2-CB 3.94Å; K370-D893 PolarHBondContact O-N 3.18Å; R391-D893 IonicContact CZ-OD2 2.73Å; R391-D893 IonicContact NH1-OD1 3.35Å; R391-D893 IonicContact NH1-OD2 3.82Å; R391-D893 PolarHBondContact NH1-OD2 3.38Å; R391-D893 IonicContact NH2-OD2 3.1Å; R391-D893 PolarHBondContact NH2-OD2 3.02Å
894	K	47.4	Very low	49.6	Very low	187 Å²	187	94.5 Å²	94.5	81%	0.813	52%	0.522	S	S	*	.			trans	-86.4	138.4	178.2	-69	-173.7	178.5	-177.5	0	109.8	I892 D896	I892-K894 PolarHBondContact O-N 3.24Å; I892-K894 VanDerWaalsContact O-N 3.14Å; K894-D896 PolarHBondContact O-N 3.03Å
895	D	42.4	Very low	48.1	Very low	87 Å²	87	94.3 Å²	94.3	47%	0.465	53%	0.534	S	S	.	.			trans	-71.2	89.2	-174.8	-103.2	14.1	0	0	0	112.9	R373 T897	R373-D895 IonicContact CZ-OD1 2.82Å; R373-D895 IonicContact CZ-OD2 3.02Å; R373-D895 IonicContact NE-OD1 3.82Å; R373-D895 PolarHBondContact NE-OD1 3.09Å; R373-D895 IonicContact NE-OD2 2.65Å; R373-D895 PolarHBondContact NE-OD2 2.89Å; R373-D895 IonicContact NH2-OD1 3.2Å; R373-D895 PolarHBondContact NH2-OD1 2.84Å; R373-D895 IonicContact NH2-OD2 2.7Å; R373-D895 PolarHBondContact NH2-OD2 3.35Å; D895-T897 VanDerWaalsContact C-N 3.33Å; D895-T897 PolarHBondContact O-N 3.02Å
896	D	34.2	Very low	46.3	Very low	164 Å²	164	100 Å²	100	88%	0.877	57%	0.57	S	S	*	*			trans	-66.9	89	164.7	-103.7	-14.4	0	0	0	109.9	K894 G898	K894-D896 PolarHBondContact O-N 3.03Å; D896-G898 PolarHBondContact O-N 3.1Å
897	T	32.1	Very low	44.7	Very low	120 Å²	120	105 Å²	105	74%	0.736	61%	0.605	S	S	*	*			trans	-68.8	112.5	164.8	44.3	0	0	0	0	108.4	D895 A899	D895-T897 VanDerWaalsContact C-N 3.33Å; D895-T897 PolarHBondContact O-N 3.02Å; T897-A899 PolarHBondContact O-N 3.02Å
898	G	38.2	Very low	43.3	Very low	87 Å²	87	113.8 Å²	113.8	90%	0.897	64%	0.638	S	S	*	*			trans	-63.3	95.2	-153.6	0	0	0	0	0	117	D896	D896-G898 PolarHBondContact O-N 3.1Å
899	A	26.9	Very low	41.4	Very low	89 Å²	89	113 Å²	113	74%	0.736	65%	0.654	S	S	*	*			trans	-113.2	114.7	163.3	0	0	0	0	0	110.2	T897 S901	T897-A899 PolarHBondContact O-N 3.02Å; A899-S901 VanDerWaalsContact C-N 3.32Å; A899-S901 PolarHBondContact O-N 2.87Å
900	K	37.1	Very low	39.6	Very low	224 Å²	224	118.6 Å²	118.6	97%	0.974	69%	0.694	S	S	*	*			trans	-75.9	77.3	179.4	-75.2	-176.1	177.2	175.3	0	112.1
901	S	27	Very low	37.3	Very low	103 Å²	103	125.7 Å²	125.7	72%	0.72	73%	0.727	S	S	*	*			trans	-89.5	122.8	162.8	-169.3	0	0	0	0	110.3	A899 V903	A899-S901 VanDerWaalsContact C-N 3.32Å; A899-S901 PolarHBondContact O-N 2.87Å; S901-V903 PolarHBondContact O-N 3.33Å
902	K	30	Very low	35	Very low	204 Å²	204	133.1 Å²	133.1	89%	0.887	76%	0.758	S	S	*	*			trans	-86.8	102.1	169.9	-83.3	-171.4	173.4	-173.8	0	109.4
903	V	25	Very low	32.6	Very low	127 Å²	127	137.1 Å²	137.1	77%	0.77	77%	0.774	S	S	*	*			trans	-81.4	130.3	160.6	-175.6	0	0	0	0	108.4	S901	S901-V903 PolarHBondContact O-N 3.33Å
904	P	28.8	Very low	30.2	Very low	107 Å²	107	146.1 Å²	146.1	70%	0.695	80%	0.804	S	S	*	*			trans	-71.2	133.5	179.2	-17.8	31.7	0	0	0	112.4	V906	P904-V906 PolarHBondContact O-N 2.74Å
905	S	24.5	Very low	29.3	Very low	115 Å²	115	143.4 Å²	143.4	80%	0.804	81%	0.809	S	S	*	*			trans	-70.4	110.6	167.1	54.1	0	0	0	0	110.1	S907	S905-S907 PolarHBondContact O-N 2.86Å; S905-S907 VanDerWaalsContact O-N 3.09Å
906	V	25.3	Very low	28.5	Very low	136 Å²	136	143.1 Å²	143.1	82%	0.824	83%	0.827	S	S	*	*			trans	-75	98.5	178	-179.4	0	0	0	0	110.2	P904 R908	P904-V906 PolarHBondContact O-N 2.74Å; V906-R908 PolarHBondContact O-N 2.79Å
907	S	26.1	Very low	28.2	Very low	109 Å²	109	140.8 Å²	140.8	76%	0.762	82%	0.823	S	S	*	*			trans	-74.1	113.7	168.8	49.7	0	0	0	0	110.4	S905 G909	S905-S907 PolarHBondContact O-N 2.86Å; S905-S907 VanDerWaalsContact O-N 3.09Å; S907-G909 VanDerWaalsContact C-N 3.32Å; S907-G909 PolarHBondContact O-N 2.71Å
908	R	28	Very low	28	Very low	217 Å²	217	146.8 Å²	146.8	82%	0.819	83%	0.832	S	S	*	*			trans	-71.5	83.3	172.4	-105.9	-178.6	168.4	173.6	-4	110.6	V906	V906-R908 PolarHBondContact O-N 2.79Å
909	G	25	Very low	27.3	Very low	72 Å²	72	151.9 Å²	151.9	74%	0.742	83%	0.83	S	S	*	*			trans	-87.6	120.1	166.2	0	0	0	0	0	110.6	S907	S907-G909 VanDerWaalsContact C-N 3.32Å; S907-G909 PolarHBondContact O-N 2.71Å
910	S	29	Very low	28	Very low	125 Å²	125	152.9 Å²	152.9	87%	0.874	83%	0.828	S	S	*	*			trans	-78.4	120.3	174.2	-57.9	0	0	0	0	110.7
911	Q	26	Very low	27.4	Very low	181 Å²	181	146.3 Å²	146.3	85%	0.846	82%	0.816	S	S	*	*			trans	-152.4	139	158.3	-130.8	169.8	8.2	0	0	112.2
912	E	29.2	Very low	27.3	Very low	187 Å²	187	146.5 Å²	146.5	87%	0.874	82%	0.817	S	S	*	*			trans	-76	146.9	175.2	-56.7	172.3	109.3	0	0	110.7
913	H	24.7	Very low	27	Very low	184 Å²	184	142.4 Å²	142.4	85%	0.852	81%	0.809	S	S	*	*			trans	-120.5	101.1	164.9	-90.7	-62	0	0	0	111.3
914	R	26.5	Very low	27	Very low	243 Å²	243	144.8 Å²	144.8	92%	0.917	81%	0.812	S	S	*	*			trans	-70.8	146.3	151.8	-84.8	-175.6	169.3	-177.9	-2.8	109.5
915	S	28.5	Very low	26.7	Very low	130 Å²	130	145.6 Å²	145.6	91%	0.909	82%	0.815	S	S	*	*			trans	-75.6	148.9	172.6	47.9	0	0	0	0	111.7
916	G	26.4	Very low	26.6	Very low	82 Å²	82	145.3 Å²	145.3	85%	0.845	81%	0.813	S	S	*	*			trans	174.5	113.9	175.9	0	0	0	0	0	111.7
917	S	28.4	Very low	26.4	Very low	114 Å²	114	144.1 Å²	144.1	80%	0.797	81%	0.81	S	S	*	*			trans	-109.4	124.2	-178	178.6	0	0	0	0	111.2
918	R	28	Very low	27.4	Very low	246 Å²	246	144.3 Å²	144.3	93%	0.928	81%	0.809	S	S	*	*			trans	178	157.3	132.6	-99.6	164.9	178.9	179.3	-0.8	113.8
919	K	22.7	Very low	27.3	Very low	195 Å²	195	141.1 Å²	141.1	85%	0.848	81%	0.807	S	S	*	*			trans	-124.3	172.2	164.6	-119.7	-176.8	-178	-178.7	0	105.9
920	P	41.3	Very low	27.3	Very low	109 Å²	109	142 Å²	142	71%	0.708	80%	0.802	S	S	*	*			cis	-139.8	-174.3	-8	40.9	-22.6	0	0	0	115.1
921	A	25.3	Very low	27.3	Very low	86 Å²	86	145 Å²	145	71%	0.711	80%	0.799	S	S	*	*			trans	84.9	158.8	137.6	0	0	0	0	0	122.9
922	S	23.9	Very low	27.3	Very low	108 Å²	108	142.1 Å²	142.1	76%	0.755	79%	0.789	S	S	*	*			trans	68.8	154.1	174.7	65	0	0	0	0	118.3
923	T	23.8	Very low	27.2	Very low	117 Å²	117	140.4 Å²	140.4	72%	0.718	78%	0.779	S	S	*	*				179.8	135.9	-63	29.6	0	0	0	0	108.6
924	E	24.8	Very low	27.4	Very low	177 Å²	177	138.3 Å²	138.3	83%	0.827	77%	0.77	S	S	*	*			trans	64.5	158.5	162.7	-65	174.7	-165.9	0	0	116.2
925	T	22.8	Very low	27.6	Very low	124 Å²	124	133.4 Å²	133.4	76%	0.761	76%	0.757	S	S	*	*			cis	-157.7	161	-16.9	26.3	0	0	0	0	107.3
926	S	23.4	Very low	28.1	Very low	109 Å²	109	132.4 Å²	132.4	76%	0.762	75%	0.748	S	S	*	*			cis	-152.1	-97	-10	51	0	0	0	0	112.3
927	C	19.8	Very low	28.1	Very low	112 Å²	112	136.4 Å²	136.4	76%	0.757	74%	0.744	S	S	*	*			trans	-148	-167.8	-167.6	-60.6	0	0	0	0	109.3
928	P	47.9	Very low	28	Very low	113 Å²	113	140.2 Å²	140.2	73%	0.734	75%	0.746	S	S	*	*			cis	-134.9	176.6	-10.2	42.6	-27.2	0	0	0	115.2
929	L	25	Very low	29.2	Very low	150 Å²	150	133.6 Å²	133.6	79%	0.785	74%	0.735	S	S	*	*				-172.6	142.3	117.1	-141.9	70.6	0	0	0	112.9
930	S	26.4	Very low	30.7	Very low	91 Å²	91	129.6 Å²	129.6	64%	0.636	73%	0.729	S	S	*	*			trans	40.1	146.8	145.9	57.2	0	0	0	0	121.9
931	K	28.5	Very low	31.3	Very low	187 Å²	187	129 Å²	129	81%	0.813	73%	0.725	S	S	*	*			cis	178.2	161.5	2.2	-99.6	-178.2	173.1	-175.4	0	103.9
932	L	25.8	Very low	31.4	Very low	121 Å²	121	131.7 Å²	131.7	63%	0.634	73%	0.733	S	S	*	*			cis	-168.6	159.1	-11	-83	162.9	0	0	0	103.7
933	F	28.1	Very low	31.5	Very low	151 Å²	151	130.4 Å²	130.4	66%	0.662	74%	0.737	S	S	*	*			cis	-159.9	154.4	-9	-122.8	-171.8	0	0	0	107.7
934	E	29	Very low	31.6	Very low	140 Å²	140	136.5 Å²	136.5	65%	0.654	75%	0.747	S	S	*	*				59.6	138.3	98.5	-66.7	-173.2	-178.4	0	0	116.4
935	E	30.1	Very low	32.8	Very low	139 Å²	139	133.2 Å²	133.2	65%	0.65	74%	0.74	S	S	*	*			cis	-162.5	-174	2.5	-119.7	-142.3	131.5	0	0	109.3
936	P	38.8	Very low	33.5	Very low	110 Å²	110	133.3 Å²	133.3	71%	0.714	74%	0.743	S	S	*	*			cis	-126.9	-174.4	-7	22.1	3	0	0	0	115.5
937	E	25.7	Very low	33.6	Very low	165 Å²	165	132 Å²	132	77%	0.771	74%	0.739	S	S	*	*			trans	-45.5	154.2	-174.6	-47.1	-162.7	95	0	0	119
938	K	26.6	Very low	35.4	Very low	195 Å²	195	132.4 Å²	132.4	85%	0.848	74%	0.74	S	S	*	*			cis	81	158.8	32.8	-91.8	-159.5	169.2	174.8	0	116
939	P	54.2	Low	35.3	Very low	107 Å²	107	131.8 Å²	131.8	70%	0.695	74%	0.737	S	S	*	*			trans	-131.7	-120.4	-143.2	35.9	-9.8	0	0	0	110.5
940	P	53.5	Low	35.3	Very low	110 Å²	110	136.4 Å²	136.4	71%	0.714	74%	0.743	S	S	*	*			cis	-117.6	-118.1	-45.3	34.5	-13.5	0	0	0	109.5
941	P	54.3	Low	35.3	Very low	97 Å²	97	135.7 Å²	135.7	63%	0.63	74%	0.743	S	S	*	*				-120.6	-177.4	-55.9	35.9	-19.1	0	0	0	114.1
942	T	27.1	Very low	35.4	Very low	142 Å²	142	133.4 Å²	133.4	87%	0.871	74%	0.744	S	S	*	*			trans	59.1	128.9	151.9	47.3	0	0	0	0	121.6
943	G	26.7	Very low	36.5	Very low	81 Å²	81	132.3 Å²	132.3	84%	0.835	75%	0.745	S	S	*	*			trans	-166.2	152.8	163.2	0	0	0	0	0	111
944	R	25.3	Very low	36.5	Very low	246 Å²	246	135 Å²	135	93%	0.928	75%	0.75	S	S	*	*			trans	-128	-151.7	-175.1	-144.6	-166.1	178.8	-174.9	2.2	112.2
945	P	50	Low	36.4	Very low	107 Å²	107	134.9 Å²	134.9	70%	0.695	75%	0.75	S	S	*	*			trans	-83.5	-177.3	-150	46.2	-38.7	0	0	0	112.3
946	P	37.7	Very low	36.1	Very low	126 Å²	126	136.1 Å²	136.1	82%	0.818	76%	0.756	S	S	*	*			cis	-146.7	-152.3	27.4	44.5	-21.3	0	0	0	116.8
947	A	24.4	Very low	36.3	Very low	82 Å²	82	136 Å²	136	68%	0.678	76%	0.755	S	S	*	*			trans	-122.9	-163.2	-177.5	0	0	0	0	0	110.1
948	P	58.3	Low	36.4	Very low	120 Å²	120	135.8 Å²	135.8	78%	0.779	76%	0.758	S	S	*	*			cis	-134.6	2.5	-16.4	44.3	-31.2	0	0	0	120.2
949	P	46	Very low	36.8	Very low	101 Å²	101	133.8 Å²	133.8	66%	0.656	76%	0.757	S	S	*	*				-116.6	123.3	-127.9	35.9	-22.1	0	0	0	118.9
950	R	26	Very low	36.4	Very low	247 Å²	247	134 Å²	134	93%	0.932	76%	0.758	S	S	*	*			trans	62.2	156.6	137	-67.9	179.7	169.1	171.2	-4.5	121.2
951	A	25.2	Very low	35.2	Very low	75 Å²	75	139.6 Å²	139.6	62%	0.62	77%	0.765	S	S	*	*			cis	-177.1	144.9	-26	0	0	0	0	0	111.3
952	V	30	Very low	34	Very low	139 Å²	139	141.6 Å²	141.6	84%	0.842	77%	0.769	S	S	*	*			trans	54.5	178.2	161.8	-104.6	0	0	0	0	117.9
953	P	49.5	Very low	34.1	Very low	99 Å²	99	142.2 Å²	142.2	64%	0.643	76%	0.76	S	S	*	*			cis	-131.6	-172.6	-22.7	33.3	-13.4	0	0	0	114.9
954	R	28.5	Very low	34.2	Very low	206 Å²	206	143 Å²	143	78%	0.777	75%	0.753	S	S	*	*			trans	75.3	151.1	147	-87.2	177.5	157.9	175.9	-19.4	118.9
955	E	26.3	Very low	34.4	Very low	138 Å²	138	137.1 Å²	137.1	65%	0.645	74%	0.735	S	S	*	*			cis	-152.4	-159.8	-12.6	-147.1	145.4	-144.5	0	0	110.4
956	E	25.1	Very low	33.4	Very low	166 Å²	166	135 Å²	135	78%	0.776	73%	0.734	S	S	*	*			trans	-64.5	-178.4	177.6	-70.3	-171.1	96.9	0	0	114.7
957	P	43	Very low	33	Very low	107 Å²	107	134.4 Å²	134.4	70%	0.695	73%	0.728	S	S	*	*			cis	-149.7	165.5	19.2	42.5	-20.3	0	0	0	122.1
958	L	26.8	Very low	33.2	Very low	160 Å²	160	135 Å²	135	84%	0.838	73%	0.727	S	S	*	*			trans	54.9	142.1	138.7	-63.6	169	0	0	0	125.3
959	N	35.1	Very low	31.8	Very low	154 Å²	154	136.2 Å²	136.2	82%	0.824	72%	0.722	S	S	*	*			trans	-81.7	175.9	172.1	-62.3	-47.9	0	0	0	113.6
960	P	46.1	Very low	31	Very low	110 Å²	110	138.9 Å²	138.9	71%	0.714	73%	0.726	S	S	*	*				-157.1	157	101.8	39.2	-20.8	0	0	0	119.8
961	R	29	Very low	31	Very low	229 Å²	229	134.6 Å²	134.6	86%	0.864	72%	0.716	S	S	*	*			trans	68.4	159.9	141.3	-80.7	178	167.9	171.8	-4.2	120.6
962	L	28.8	Very low	31	Very low	139 Å²	139	133.4 Å²	133.4	73%	0.728	71%	0.712	S	S	*	*			cis	-129.1	154.3	-12.6	-88.2	122	0	0	0	107.4
963	K	28.4	Very low	30.9	Very low	155 Å²	155	133.5 Å²	133.5	67%	0.674	71%	0.712	S	S	*	*				66.1	145.8	51.5	-100.4	-158.8	-177.4	-146.5	0	114.8	E965	K963-E965 WeakPolarHBondContact CE-OE1 3.16Å; K963-E965 IonicContact NZ-OE1 3.16Å; K963-E965 PolarHBondContact NZ-OE1 2.8Å; K963-E965 IonicContact NZ-OE2 2.86Å; K963-E965 PolarHBondContact NZ-OE2 3.08Å
964	S	29	Very low	29.8	Very low	97 Å²	97	133.6 Å²	133.6	68%	0.678	72%	0.721	S	S	*	*			cis	-148.8	163.2	10.7	47.7	0	0	0	0	111.8
965	E	28.5	Very low	29.8	Very low	122 Å²	122	128.5 Å²	128.5	57%	0.57	72%	0.724	S	S	*	*			cis	-118.1	-119.1	4.4	-161.9	52.9	-87.3	0	0	112.7	K963 T967	K963-E965 WeakPolarHBondContact CE-OE1 3.16Å; K963-E965 IonicContact NZ-OE1 3.16Å; K963-E965 PolarHBondContact NZ-OE1 2.8Å; K963-E965 IonicContact NZ-OE2 2.86Å; K963-E965 PolarHBondContact NZ-OE2 3.08Å; E965-T967 HydrophobicContact CG-CG2 4.17Å
966	G	30	Very low	30	Very low	64 Å²	64	127.5 Å²	127.5	66%	0.66	73%	0.729	S	S	*	*			cis	119.7	166.1	4.9	0	0	0	0	0	112.7
967	T	28.4	Very low	30.9	Very low	112 Å²	112	125.3 Å²	125.3	69%	0.687	73%	0.729	S	S	*	*			cis	-178.2	154.5	-9	20.6	0	0	0	0	105.4	E965	E965-T967 HydrophobicContact CG-CG2 4.17Å
968	S	29	Very low	30.8	Very low	96 Å²	96	125.3 Å²	125.3	67%	0.671	73%	0.729	S	S	*	*			cis	-178.5	150.1	-6.1	47.3	0	0	0	0	106.7
969	E	29.4	Very low	30.8	Very low	145 Å²	145	127.4 Å²	127.4	68%	0.678	73%	0.731	S	S	*	*			cis	-177.1	-178	-16.8	-110.1	153.4	81.6	0	0	105.9
970	Q	28.4	Very low	30.2	Very low	156 Å²	156	127.5 Å²	127.5	73%	0.729	73%	0.732	S	S	*	*			cis	-144.7	-149.2	8.8	-134.7	155.8	54.2	0	0	106.6
971	E	26.4	Very low	29.2	Very low	157 Å²	157	126.5 Å²	126.5	73%	0.734	73%	0.728	S	S	*	*			cis	-158	171.4	4.3	-140.7	-87.4	97.7	0	0	109
972	G	25.9	Very low	29	Very low	51 Å²	51	124 Å²	124	53%	0.526	72%	0.724	S	S	.	*			trans	43.7	131.1	134.5	0	0	0	0	0	122.9
973	V	27.7	Very low	28.8	Very low	140 Å²	140	123.9 Å²	123.9	85%	0.848	72%	0.724	S	S	*	*			cis	-149.5	152.6	7.3	173.1	0	0	0	0	109.3
974	A	26.3	Very low	28.7	Very low	101 Å²	101	123.3 Å²	123.3	84%	0.835	73%	0.728	S	S	*	*			trans	-127.2	151	175.1	0	0	0	0	0	113
975	A	27.6	Very low	28.9	Very low	100 Å²	100	124.2 Å²	124.2	83%	0.826	73%	0.731	S	S	*	*			trans	-148.1	159.2	173.8	0	0	0	0	0	111.6
976	P	31	Very low	28.6	Very low	117 Å²	117	121.8 Å²	121.8	76%	0.76	73%	0.732	S	S	*	*			trans	-115.6	178.8	-147.1	42.3	-32.1	0	0	0	116.2
977	P	43.5	Very low	28.4	Very low	119 Å²	119	129.5 Å²	129.5	77%	0.773	74%	0.743	S	S	*	*			trans	-89.9	-155.5	-173.1	41.9	-38.9	0	0	0	111.3
978	P	42.2	Very low	28.2	Very low	107 Å²	107	134.8 Å²	134.8	70%	0.695	75%	0.752	S	S	*	*			cis	-143.2	-176.1	1.4	44.4	-25.5	0	0	0	117.4
979	K	25.2	Very low	28.1	Very low	204 Å²	204	136.1 Å²	136.1	89%	0.887	76%	0.756	S	S	*	*			trans	-179.7	170	130.7	-97.3	154.6	-171.9	174.2	0	114.6
980	N	23.3	Very low	27.9	Very low	156 Å²	156	137.5 Å²	137.5	83%	0.834	77%	0.767	S	S	*	*			trans	-103.3	157.4	-172.8	-69.1	-19.7	0	0	0	113.9
981	S	26.2	Very low	27.8	Very low	89 Å²	89	138.9 Å²	138.9	62%	0.622	77%	0.774	S	S	*	*			trans	57.8	131.9	142.8	-150.7	0	0	0	0	118.7
982	F	23.7	Very low	27.7	Very low	178 Å²	178	135 Å²	135	78%	0.781	78%	0.775	S	S	*	*				-168.4	155.8	65.1	-102.1	-80.3	0	0	0	114.4
983	N	24.9	Very low	27.6	Very low	136 Å²	136	139.4 Å²	139.4	73%	0.727	79%	0.791	S	S	*	*			trans	34.9	119.4	146.5	-70.8	6.8	0	0	0	123.7
984	N	26.9	Very low	28	Very low	143 Å²	143	137.9 Å²	137.9	77%	0.765	78%	0.784	S	S	*	*				2.3	140.1	114.9	-168.5	19.7	0	0	0	117.8	A986	N984-A986 PolarHBondContact OD1-N 2.98Å
985	P	32.3	Very low	28.1	Very low	115 Å²	115	142.5 Å²	142.5	75%	0.747	79%	0.788	S	S	*	*				-145.5	140.1	110.6	37.5	-23.2	0	0	0	117.3
986	A	23.4	Very low	28.2	Very low	72 Å²	72	146.7 Å²	146.7	60%	0.595	79%	0.791	S	S	*	*				43.3	137.1	129.5	0	0	0	0	0	123.3	N984	N984-A986 PolarHBondContact OD1-N 2.98Å
987	Y	25.1	Very low	28	Very low	226 Å²	226	149.5 Å²	149.5	89%	0.886	80%	0.799	S	S	*	*			trans	-35	149.1	152.2	-70.8	-102.5	0	0	0	115.3
988	Y	24.7	Very low	27.2	Very low	222 Å²	222	151.6 Å²	151.6	87%	0.871	80%	0.803	S	S	*	*			trans	-127	140.9	155.3	-99	-88	0	0	0	112.1
989	V	25.4	Very low	26.6	Very low	125 Å²	125	152.2 Å²	152.2	76%	0.758	81%	0.807	S	S	*	*			trans	-88.2	144.1	167.7	173.6	0	0	0	0	108.4
990	L	25.9	Very low	26.7	Very low	174 Å²	174	151 Å²	151	91%	0.911	81%	0.809	S	S	*	*			trans	-102.2	96.6	172.4	-72	173.4	0	0	0	111
991	E	25.5	Very low	26.9	Very low	185 Å²	185	152.4 Å²	152.4	86%	0.864	81%	0.81	S	S	*	*			trans	-110.4	149.2	148.7	-77.7	-168.5	138.4	0	0	108.2
992	G	24.8	Very low	27.3	Very low	74 Å²	74	153.4 Å²	153.4	76%	0.763	82%	0.815	S	S	*	*			trans	-175	104.9	179	0	0	0	0	0	115.9
993	V	23.9	Very low	27.7	Very low	144 Å²	144	151.2 Å²	151.2	87%	0.873	82%	0.818	S	S	*	*			trans	-138	138	153	178.4	0	0	0	0	106
994	P	36.8	Very low	27.8	Very low	108 Å²	108	150.5 Å²	150.5	70%	0.701	82%	0.824	S	S	*	*			trans	-103.1	155.6	-147.8	37.6	-36.3	0	0	0	116.3
995	H	28.2	Very low	28	Very low	198 Å²	198	152.4 Å²	152.4	92%	0.917	83%	0.833	S	S	*	*			trans	-126.6	145	150	-77.5	-48	0	0	0	110.7
996	Q	28.7	Very low	27.9	Very low	188 Å²	188	151.8 Å²	151.8	88%	0.879	84%	0.838	S	S	*	*			trans	-86	152.8	-175.4	-61.3	166.8	-22.3	0	0	111.5
997	L	27.1	Very low	28	Very low	176 Å²	176	160.3 Å²	160.3	92%	0.921	85%	0.854	S	S	*	*			trans	-170.9	161.9	131.4	-101.7	163.7	0	0	0	110.8
998	L	27.5	Very low	28.3	Very low	164 Å²	164	153.7 Å²	153.7	86%	0.859	85%	0.846	S	S	*	*			trans	-102.9	160.9	-168.7	-77.8	169.5	0	0	0	113.3
999	P	29.6	Very low	29	Very low	120 Å²	120	148.6 Å²	148.6	78%	0.779	84%	0.841	S	S	*	*			trans	-89.6	171.2	-163.7	36.4	-38	0	0	0	115.3
1000	L	26.7	Very low	29.3	Very low	177 Å²	177	150.7 Å²	150.7	93%	0.927	85%	0.847	S	S	*	*			trans	-136	142.4	170.6	-89.6	165.9	0	0	0	111.3
1001	E	27.8	Very low	30.5	Very low	187 Å²	187	147.6 Å²	147.6	87%	0.874	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-95.3	167.4	179.3	-101	-162.6	139.3	0	0	113.3
1002	P	33.6	Very low	31.1	Very low	110 Å²	110	145.3 Å²	145.3	71%	0.714	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-85.1	160.8	-166.3	34.1	-37.1	0	0	0	115.4
1003	P	32.3	Very low	31.3	Very low	132 Å²	132	145.8 Å²	145.8	86%	0.857	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-82.5	151	-179.9	33.7	-35.9	0	0	0	113.9
1004	S	27.8	Very low	31.5	Very low	120 Å²	120	144.7 Å²	144.7	84%	0.839	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-102.8	162.7	175.9	56.8	0	0	0	0	113.2
1005	L	30.3	Very low	31	Very low	183 Å²	183	148.9 Å²	148.9	96%	0.958	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-84.1	144.1	-175.6	-74.9	165.7	0	0	0	113
1006	A	29.9	Very low	31	Very low	102 Å²	102	147 Å²	147	84%	0.843	83%	0.832	S	S	*	*			trans	-105.4	148.9	-170.7	0	0	0	0	0	114.8
1007	R	27	Very low	31	Very low	252 Å²	252	147.1 Å²	147.1	95%	0.951	83%	0.83	S	S	*	*			trans	-146.7	132.5	150.5	-147.5	172	-171.6	179.5	1.7	109.5
1008	A	31.4	Very low	31	Very low	86 Å²	86	145 Å²	145	71%	0.711	82%	0.824	S	S	*	*			trans	-98.7	179.2	-174.1	0	0	0	0	0	111.4
1009	P	39.8	Very low	31.1	Very low	116 Å²	116	140.8 Å²	140.8	75%	0.753	81%	0.813	S	S	*	*				-152.5	131.4	60	37.3	-14.3	0	0	0	119.8
1010	L	30.4	Very low	31.3	Very low	169 Å²	169	142.6 Å²	142.6	89%	0.885	81%	0.814	S	S	*	*			trans	61.7	161	132.5	-65.5	172.3	0	0	0	122.6
1011	P	51.8	Low	31.2	Very low	108 Å²	108	139.8 Å²	139.8	70%	0.701	81%	0.805	S	S	*	*			trans	-117.7	179.2	-150.3	46.6	-37.2	0	0	0	115.3
1012	P	38.9	Very low	31.3	Very low	137 Å²	137	136.9 Å²	136.9	89%	0.89	80%	0.8	S	S	*	*				-143.4	-155.7	87.1	39	-20.1	0	0	0	114.2
1013	A	27.9	Very low	32	Very low	85 Å²	85	137.2 Å²	137.2	70%	0.702	80%	0.802	S	S	*	*			trans	-117	170.6	-153.2	0	0	0	0	0	118.7
1014	T	27.3	Very low	32.2	Very low	121 Å²	121	135.2 Å²	135.2	74%	0.742	80%	0.796	S	S	*	*			trans	103.1	145.9	152.4	77.2	0	0	0	0	121.6
1015	K	27.5	Very low	33.5	Very low	196 Å²	196	135.3 Å²	135.3	85%	0.852	79%	0.794	S	S	*	*			trans	99	146.2	153.5	-69.8	166.1	-176.7	170.5	0	121.1
1016	N	27.7	Very low	33.7	Very low	157 Å²	157	134.3 Å²	134.3	84%	0.84	78%	0.784	S	S	*	*			trans	-104.1	159.5	-171.8	-49.8	-21.5	0	0	0	112.8
1017	K	28	Very low	33.9	Very low	192 Å²	192	136.9 Å²	136.9	84%	0.835	78%	0.783	S	S	*	*			trans	-179.6	125.7	140.2	-102.6	170.4	179.5	-172.3	0	109.8
1018	V	27.6	Very low	34	Very low	132 Å²	132	128 Å²	128	80%	0.8	77%	0.771	S	S	*	*				89.2	137.2	76.3	154.9	0	0	0	0	113.2
1019	A	30.6	Very low	34.1	Very low	75 Å²	75	134.7 Å²	134.7	62%	0.62	78%	0.777	S	S	*	*			cis	-175.2	-167.5	-17.3	0	0	0	0	0	111.7
1020	I	32.3	Very low	33.8	Very low	157 Å²	157	136.6 Å²	136.6	81%	0.805	78%	0.776	S	S	*	*			trans	85	127.2	158.8	-62.8	149.6	0	0	0	115.2
1021	T	25.7	Very low	33.7	Very low	119 Å²	119	139.4 Å²	139.4	73%	0.73	78%	0.775	S	S	*	*			cis	-147.1	168.8	13.4	-8.3	0	0	0	0	109
1022	V	29.8	Very low	32.8	Very low	126 Å²	126	140.3 Å²	140.3	76%	0.764	78%	0.778	S	S	*	*			cis	76.9	138.3	16.3	177	0	0	0	0	115.2
1023	P	49.2	Very low	33.6	Very low	117 Å²	117	138.9 Å²	138.9	76%	0.76	77%	0.769	S	S	*	*			cis	-114.2	171.2	5.7	25.1	-2.4	0	0	0	115.4
1024	A	34.8	Very low	33.7	Very low	90 Å²	90	145.7 Å²	145.7	74%	0.744	78%	0.776	S	S	*	*			cis	97	157.5	22.3	0	0	0	0	0	115
1025	P	55.2	Low	34	Very low	121 Å²	121	146.7 Å²	146.7	79%	0.786	78%	0.782	S	S	*	*			cis	-124.1	-142.1	14.7	34.3	-9	0	0	0	113.5
1026	Q	35.3	Very low	34	Very low	162 Å²	162	141 Å²	141	76%	0.757	78%	0.779	S	S	*	*			cis	-151.8	-107	9.6	-144	-151.1	97.2	0	0	117.9
1027	L	34.1	Very low	34.2	Very low	156 Å²	156	143.5 Å²	143.5	82%	0.817	79%	0.785	S	S	*	*			trans	-132.5	166.4	-160.1	-99.9	66.3	0	0	0	114
1028	G	29.4	Very low	34.2	Very low	67 Å²	67	138.4 Å²	138.4	69%	0.691	79%	0.787	S	S	*	*			cis	158.9	161	-10.2	0	0	0	0	0	116.7
1029	R	32.5	Very low	34.2	Very low	226 Å²	226	137.3 Å²	137.3	85%	0.853	79%	0.785	S	S	*	*			trans	87.3	128.4	162.2	-72.8	-177.2	161.2	-165.1	-3.2	124.8
1030	H	33.4	Very low	34.1	Very low	155 Å²	155	138.4 Å²	138.4	72%	0.718	79%	0.789	S	S	*	*			trans	58.7	156.2	139.3	-66.9	-43.9	0	0	0	122.1
1031	R	28.7	Very low	34	Very low	229 Å²	229	135.2 Å²	135.2	86%	0.864	78%	0.78	S	S	*	*			cis	-156.4	177.8	-14.3	-137.8	178.4	-178.9	174.9	-0.2	109.9
1032	T	33.6	Very low	34.3	Very low	127 Å²	127	136.4 Å²	136.4	78%	0.779	78%	0.782	S	S	*	*			trans	-99.4	-173	-178.6	55.6	0	0	0	0	112.8
1033	P	54.8	Low	34.4	Very low	106 Å²	106	138.9 Å²	138.9	69%	0.688	79%	0.786	S	S	*	*			cis	-152.9	-169.9	11.6	47.8	-26.8	0	0	0	120.6
1034	R	30.5	Very low	33.5	Very low	228 Å²	228	139.5 Å²	139.5	86%	0.86	78%	0.783	S	S	*	*			trans	87.9	122.1	145.1	-81	-172.9	177.9	-171.2	-1.5	124.9
1035	V	32.6	Very low	33.3	Very low	143 Å²	143	140.2 Å²	140.2	87%	0.867	78%	0.782	S	S	*	*				57	133	125	-178.6	0	0	0	0	122
1036	G	29.4	Very low	32	Very low	75 Å²	75	138.5 Å²	138.5	77%	0.773	79%	0.786	S	S	*	*			trans	171.5	139.7	155.6	0	0	0	0	0	115.6
1037	E	31.6	Very low	31.9	Very low	210 Å²	210	134.2 Å²	134.2	98%	0.981	79%	0.785	S	S	*	*			trans	-107.2	165	164.8	-62.2	166.9	108.9	0	0	109.1
1038	G	27.4	Very low	31.6	Very low	85 Å²	85	133.4 Å²	133.4	88%	0.876	79%	0.787	S	S	*	*			trans	171.1	149.2	170.6	0	0	0	0	0	116
1039	S	28.4	Very low	31.6	Very low	109 Å²	109	138 Å²	138	76%	0.762	80%	0.795	S	S	*	*			trans	-128.8	152.8	-168.4	175.6	0	0	0	0	113.6
1040	S	28.3	Very low	32.2	Very low	99 Å²	99	132.6 Å²	132.6	69%	0.692	79%	0.789	S	S	*	*			trans	67.8	152.2	143.3	52.9	0	0	0	0	124.4
1041	S	29.8	Very low	33	Very low	89 Å²	89	130.8 Å²	130.8	62%	0.622	79%	0.791	S	S	*	*			trans	80.4	104.6	141.9	55.9	0	0	0	0	122.6
1042	D	31.1	Very low	33.6	Very low	145 Å²	145	125 Å²	125	78%	0.775	78%	0.783	S	S	*	*				71.3	129.7	114.8	-49.3	-16.7	0	0	0	123.3
1043	E	32.6	Very low	33.5	Very low	178 Å²	178	126.7 Å²	126.7	83%	0.832	79%	0.787	S	S	*	*			trans	47	140.6	135.7	-53.2	-64.7	85	0	0	120.9
1044	D	30.5	Very low	32.3	Very low	130 Å²	130	130.7 Å²	130.7	70%	0.695	80%	0.795	S	S	*	*			cis	-165.5	171.9	-3.7	167.6	50.4	0	0	0	109.7
1045	S	30	Very low	32.8	Very low	104 Å²	104	125 Å²	125	73%	0.727	79%	0.787	S	S	*	*			trans	80.1	131.8	153.2	-90.2	0	0	0	0	121.9
1046	G	28.2	Very low	32.9	Very low	85 Å²	85	123.7 Å²	123.7	88%	0.876	78%	0.782	S	S	*	*			trans	109.3	101.5	158.1	0	0	0	0	0	115.4
1047	G	32.3	Very low	33.1	Very low	72 Å²	72	125.9 Å²	125.9	74%	0.742	78%	0.782	S	S	*	*			trans	-132.6	162.2	-174.6	0	0	0	0	0	115.6
1048	T	27.8	Very low	33.3	Very low	139 Å²	139	122 Å²	122	85%	0.853	78%	0.775	S	S	*	*			trans	-163	145.8	155.5	-10.7	0	0	0	0	112.4
1049	L	30.6	Very low	33.5	Very low	164 Å²	164	125.7 Å²	125.7	86%	0.859	77%	0.774	S	S	*	*			trans	80.7	134.4	167.8	-59.1	176.2	0	0	0	120.4
1050	P	44.6	Very low	33.9	Very low	112 Å²	112	126.3 Å²	126.3	73%	0.727	78%	0.775	S	S	*	*			trans	-124	-164.3	176.3	47.4	-36.9	0	0	0	113
1051	P	50.8	Low	33.9	Very low	118 Å²	118	129 Å²	129	77%	0.766	78%	0.782	S	S	*	*			cis	-107.5	-105.9	-31.8	32.9	-13	0	0	0	107.5
1052	P	40.8	Very low	33.8	Very low	106 Å²	106	129.7 Å²	129.7	69%	0.688	79%	0.787	S	S	*	*			cis	-109.4	155.3	-19.2	40.3	-28.4	0	0	0	114.6
1053	D	31.4	Very low	33.7	Very low	163 Å²	163	126.9 Å²	126.9	87%	0.872	78%	0.784	S	S	*	*			trans	-155.9	161.8	164.4	-122.4	-34.9	0	0	0	112.2
1054	F	30.8	Very low	33.5	Very low	191 Å²	191	125.4 Å²	125.4	84%	0.838	78%	0.78	S	S	*	*			trans	-129.2	166.2	-168.8	-99.9	-106.1	0	0	0	112.9
1055	P	40.1	Very low	33.5	Very low	107 Å²	107	128.1 Å²	128.1	70%	0.695	79%	0.786	S	S	*	*			trans	-116.8	174.1	-130.8	13.5	10.8	0	0	0	117.2
1056	P	33.5	Very low	33.4	Very low	117 Å²	117	130.2 Å²	130.2	76%	0.76	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-83	167.2	179.6	34.9	-37.8	0	0	0	115.2
1057	P	34.5	Very low	34.5	Very low	121 Å²	121	131.1 Å²	131.1	79%	0.786	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-76.6	161	175.8	32.3	-36.2	0	0	0	114.2
1058	P	36.6	Very low	35.4	Very low	128 Å²	128	133.7 Å²	133.7	83%	0.831	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-99.5	166.7	-158	38.4	-38.1	0	0	0	117.4
1059	L	31.3	Very low	35.4	Very low	163 Å²	163	134.3 Å²	134.3	85%	0.853	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-84.9	162.2	170.1	-60.7	162.1	0	0	0	112.3
1060	P	36.2	Very low	35.4	Very low	121 Å²	121	135.1 Å²	135.1	79%	0.786	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-99.5	126.6	158.6	34.6	-25.6	0	0	0	111.6
1061	D	29.3	Very low	34.7	Very low	156 Å²	156	136.9 Å²	136.9	83%	0.834	79%	0.788	S	S	*	*			trans	-150.7	-175.5	168.1	-139.8	-38.7	0	0	0	112.2
1062	S	27.7	Very low	34.7	Very low	104 Å²	104	135.8 Å²	135.8	73%	0.727	78%	0.781	S	S	*	*			trans	-114.9	167.6	-146	53.6	0	0	0	0	117.8
1063	A	28.7	Very low	34.2	Very low	86 Å²	86	138.3 Å²	138.3	71%	0.711	79%	0.788	S	S	*	*			trans	119.1	119.1	142.2	0	0	0	0	0	122.2
1064	I	27.9	Very low	33.9	Very low	146 Å²	146	136 Å²	136	75%	0.749	78%	0.784	S	S	*	*				68.5	101.7	122.3	-62.8	173.3	0	0	0	122.4
1065	F	30.5	Very low	33.7	Very low	188 Å²	188	134.4 Å²	134.4	83%	0.825	78%	0.781	S	S	*	*			trans	55.3	164.3	134.3	-69.6	-80.2	0	0	0	122.6
1066	L	27.7	Very low	33.7	Very low	147 Å²	147	135.6 Å²	135.6	77%	0.77	79%	0.789	S	S	*	*			cis	-145.3	-60.3	0.2	-151.8	148.3	0	0	0	118.6
1067	P	51.4	Low	33.5	Very low	105 Å²	105	134.8 Å²	134.8	68%	0.682	78%	0.782	S	S	*	*			trans	-118.3	-173.6	-143.9	42.1	-29.8	0	0	0	115.3
1068	P	50.8	Low	33.3	Very low	126 Å²	126	136 Å²	136	82%	0.818	79%	0.786	S	S	*	*			cis	-132.9	-134.5	6.7	44.2	-23.7	0	0	0	115.4
1069	N	29	Very low	33.1	Very low	152 Å²	152	141.2 Å²	141.2	81%	0.813	79%	0.79	S	S	*	*			trans	-125.6	150.9	-169.6	-71.4	-37	0	0	0	115.2
1070	L	29.5	Very low	32.9	Very low	181 Å²	181	136.9 Å²	136.9	95%	0.948	78%	0.784	S	S	*	*				176.7	161.2	121.1	-96	165.8	0	0	0	114.1
1071	D	29.9	Very low	32.9	Very low	149 Å²	149	143.1 Å²	143.1	80%	0.797	79%	0.792	S	S	*	*			trans	-117.2	-173.8	-174.7	-131.7	-15.1	0	0	0	109.5
1072	P	51	Low	32.9	Very low	94 Å²	94	141.8 Å²	141.8	61%	0.61	80%	0.795	S	S	*	*			cis	-142	-167.7	-9.6	32	-6.1	0	0	0	116.6
1073	L	29.4	Very low	32.9	Very low	160 Å²	160	140.7 Å²	140.7	84%	0.838	80%	0.8	S	S	*	*			trans	76.1	156.7	164.2	-44.1	178.4	0	0	0	117.1
1074	S	27.1	Very low	33	Very low	115 Å²	115	140.4 Å²	140.4	80%	0.804	81%	0.805	S	S	*	*			cis	-147.4	179.2	19.2	-60.7	0	0	0	0	114.1
1075	M	26.4	Very low	33.2	Very low	157 Å²	157	143.2 Å²	143.2	77%	0.773	82%	0.815	S	S	*	*			trans	-84.5	175	-178.5	-59.1	-145.7	-68.2	0	0	115.8	V1077	M1075-V1077 HydrophobicContact CE-CG2 3.6Å; M1075-V1077 HydrophobicContact SD-CG2 4.11Å
1076	P	40	Very low	33.3	Very low	131 Å²	131	138.5 Å²	138.5	85%	0.851	81%	0.811	S	S	*	*				-137.6	171.4	105.6	39.6	-29.7	0	0	0	115.9
1077	V	29.4	Very low	33.5	Very low	101 Å²	101	143.9 Å²	143.9	61%	0.612	82%	0.821	S	S	*	*			trans	-133.4	144.5	-173.9	166.1	0	0	0	0	111.8	M1075	M1075-V1077 HydrophobicContact CE-CG2 3.6Å; M1075-V1077 HydrophobicContact SD-CG2 4.11Å
1078	V	28.6	Very low	32.5	Very low	145 Å²	145	142.4 Å²	142.4	88%	0.879	83%	0.825	S	S	*	*			trans	-134.6	147.8	162.7	-177.6	0	0	0	0	110.4
1079	R	32.7	Very low	32.2	Very low	239 Å²	239	142.3 Å²	142.3	90%	0.902	82%	0.824	S	S	*	*			trans	-104.1	161.7	-178.2	-62	168.1	170.4	169.2	-4.4	110.6
1080	G	28.2	Very low	33.4	Very low	72 Å²	72	140.9 Å²	140.9	74%	0.742	82%	0.823	S	S	*	*			cis	144.4	-177.8	-5	0	0	0	0	0	113.7
1081	R	34.6	Very low	35	Very low	251 Å²	251	137.7 Å²	137.7	95%	0.947	81%	0.814	S	S	*	*			trans	79.1	144.3	163.5	-86.4	-171.5	169.4	-165.6	-3.6	122.8
1082	S	29.5	Very low	35.9	Very low	129 Å²	129	135.7 Å²	135.7	90%	0.902	81%	0.809	S	S	*	*			trans	77.1	139	168.2	75.1	0	0	0	0	116.7
1083	G	28.4	Very low	35.1	Very low	80 Å²	80	141 Å²	141	83%	0.825	82%	0.822	S	S	*	*			cis	-156.9	-174.8	-6.5	0	0	0	0	0	110
1084	G	30.5	Very low	35.4	Very low	80 Å²	80	137.2 Å²	137.2	83%	0.825	81%	0.814	S	S	*	*			trans	-156.4	150.8	179.1	0	0	0	0	0	114.6
1085	E	32.2	Very low	35.9	Very low	205 Å²	205	140.8 Å²	140.8	96%	0.958	82%	0.818	S	S	*	*			trans	-160.3	177.1	165.2	-120.9	-179	166.9	0	0	110
1086	A	33.7	Very low	37.2	Very low	89 Å²	89	139.4 Å²	139.4	74%	0.736	82%	0.82	S	S	*	*			trans	-135.9	155.6	-163.3	0	0	0	0	0	115
1087	R	30.6	Very low	37	Very low	261 Å²	261	144 Å²	144	99%	0.985	82%	0.821	S	S	*	*			trans	160.3	152.3	147.5	-92.7	161.2	175.4	-156.2	-0.4	112.9
1088	G	30.1	Very low	38.1	Very low	74 Å²	74	144.3 Å²	144.3	76%	0.763	83%	0.825	S	S	*	*			trans	134.2	128.5	151.4	0	0	0	0	0	118.3
1089	P	45.3	Very low	39.4	Very low	123 Å²	123	143.5 Å²	143.5	80%	0.799	82%	0.823	S	S	*	*			trans	-129.7	-155.9	178.4	39.1	-18.9	0	0	0	113.1
1090	P	53.4	Low	39.6	Very low	123 Å²	123	139.7 Å²	139.7	80%	0.799	82%	0.82	S	S	*	*				-124	-123.9	-67.5	40.2	-21.5	0	0	0	114.8
1091	P	63.4	Low	40.9	Very low	114 Å²	114	141.9 Å²	141.9	74%	0.74	82%	0.82	S	S	*	*			trans	-129.4	-165.1	-143	43.7	-21.3	0	0	0	116.5
1092	P	49.3	Very low	41.9	Very low	107 Å²	107	135.8 Å²	135.8	70%	0.695	81%	0.814	S	S	*	*			trans	-151.9	138.3	138.2	35.7	-17.1	0	0	0	119.6
1093	K	34.3	Very low	42.1	Very low	204 Å²	204	133 Å²	133	89%	0.887	81%	0.806	S	S	*	*				46.9	163	127.3	-52.3	172.8	-174.9	176.8	0	123.2
1094	A	35.7	Very low	42	Very low	82 Å²	82	136.3 Å²	136.3	68%	0.678	81%	0.81	S	S	*	*			cis	179.5	130.9	-46.1	0	0	0	0	0	113.8
1095	H	37.8	Very low	42.1	Very low	189 Å²	189	137.8 Å²	137.8	88%	0.875	81%	0.807	S	S	*	*			trans	60.9	172.9	157.4	-69.5	-50.9	0	0	0	120.4
1096	P	54.2	Low	42.9	Very low	128 Å²	128	133.7 Å²	133.7	83%	0.831	80%	0.799	S	S	*	*			cis	-132.9	-159.7	9.1	44.4	-25	0	0	0	117.6
1097	R	35	Very low	42.9	Very low	227 Å²	227	134 Å²	134	86%	0.857	80%	0.801	S	S	*	*			trans	-148.5	153	-175.5	-169.7	-133.1	-80.8	-154.3	-5.1	113.1
1098	P	53.6	Low	43.1	Very low	109 Å²	109	126.7 Å²	126.7	71%	0.708	79%	0.79	S	S	*	*			trans	-133.9	-168.3	154.4	40.8	-25.3	0	0	0	113.3
1099	P	54.5	Low	43.2	Very low	127 Å²	127	128.9 Å²	128.9	83%	0.825	79%	0.789	S	S	*	*				-126.4	-170.3	-73.3	40.6	-24.8	0	0	0	115.3
1100	L	36.8	Very low	42.5	Very low	160 Å²	160	131.3 Å²	131.3	84%	0.838	79%	0.787	S	S	*	*			trans	-131.1	165.5	-178.8	-87.6	167.1	0	0	0	112.2
1101	P	56.2	Low	41.3	Very low	117 Å²	117	132.9 Å²	132.9	76%	0.76	79%	0.788	S	S	*	*			trans	-148.3	-172.9	131.1	43.3	-26.7	0	0	0	113.8
1102	P	56.2	Low	39.6	Very low	124 Å²	124	130.8 Å²	130.8	81%	0.805	79%	0.787	S	S	*	*				-140	165.6	-71.1	42.4	-25.5	0	0	0	117
1103	G	32.2	Very low	38.5	Very low	71 Å²	71	132.9 Å²	132.9	73%	0.732	79%	0.787	S	S	*	*			trans	86	152.8	154.7	0	0	0	0	0	118.4
1104	T	27.5	Very low	38.2	Very low	149 Å²	149	129.8 Å²	129.8	91%	0.914	79%	0.786	S	S	*	*			cis	-157.5	158.4	-6.1	30	0	0	0	0	110.7
1105	S	32.8	Very low	37.9	Very low	110 Å²	110	130.5 Å²	130.5	77%	0.769	79%	0.791	S	S	*	*			trans	-148	164.1	174.5	59.9	0	0	0	0	112.9
1106	P	49.2	Very low	37.4	Very low	120 Å²	120	127.5 Å²	127.5	78%	0.779	79%	0.791	S	S	*	*				-128.8	150.1	123.8	9	12.7	0	0	0	111.2
1107	A	33.6	Very low	36.1	Very low	96 Å²	96	124.6 Å²	124.6	79%	0.793	79%	0.785	S	S	*	*			cis	76.9	144.7	43.6	0	0	0	0	0	112.9
1108	S	33.9	Very low	35.8	Very low	106 Å²	106	122 Å²	122	74%	0.741	79%	0.788	S	S	*	*			cis	-153.1	-171.6	12.4	74.5	0	0	0	0	108.9
1109	T	31.4	Very low	34.7	Very low	120 Å²	120	123.4 Å²	123.4	74%	0.736	79%	0.79	S	S	*	*			cis	-179.9	156.3	-11.2	23	0	0	0	0	106.2
1110	F	31.1	Very low	33.5	Very low	174 Å²	174	129.3 Å²	129.3	76%	0.763	80%	0.795	S	S	*	*			cis	-172.4	-167.7	-20.2	-152	-109.5	0	0	0	108.6
1111	L	28.3	Very low	33.2	Very low	156 Å²	156	127.2 Å²	127.2	82%	0.817	79%	0.794	S	S	*	*			trans	73.7	126.5	172	-47.9	169.6	0	0	0	115.7
1112	G	28	Very low	32	Very low	70 Å²	70	127.6 Å²	127.6	72%	0.722	80%	0.798	S	S	*	*			cis	161.3	172.7	0.3	0	0	0	0	0	110
1113	E	26.9	Very low	31	Very low	151 Å²	151	125.5 Å²	125.5	71%	0.706	79%	0.787	S	S	*	*			cis	-169.5	174	-16.2	-144.1	147.2	105.6	0	0	111.6
1114	V	27.6	Very low	31.4	Very low	140 Å²	140	129.3 Å²	129.3	85%	0.848	80%	0.795	S	S	*	*			trans	69.2	122.9	169.2	-171.6	0	0	0	0	120.2
1115	A	29.2	Very low	31.8	Very low	96 Å²	96	128.6 Å²	128.6	79%	0.793	79%	0.785	S	S	*	*			trans	-75.2	154.4	-174.3	0	0	0	0	0	118.1
1116	S	27.5	Very low	31.8	Very low	126 Å²	126	131.2 Å²	131.2	88%	0.881	79%	0.785	S	S	*	*				-163	158.9	106.8	-163.5	0	0	0	0	109.4
1117	G	27.1	Very low	31.3	Very low	67 Å²	67	134.2 Å²	134.2	69%	0.691	79%	0.791	S	S	*	*			trans	-116.4	160.8	-174.7	0	0	0	0	0	114.4
1118	D	28.1	Very low	31.5	Very low	172 Å²	172	133.7 Å²	133.7	92%	0.92	79%	0.787	S	S	*	*			trans	-160	166.4	132.7	-129.5	-11.4	0	0	0	111.5
1119	D	29.9	Very low	31.4	Very low	140 Å²	140	135.5 Å²	135.5	75%	0.749	78%	0.781	S	S	*	*			trans	-68.7	145.9	-172.8	-89.5	-44.8	0	0	0	115.9
1120	R	30.5	Very low	31.6	Very low	250 Å²	250	135.2 Å²	135.2	94%	0.943	78%	0.78	S	S	*	*				-177.5	113	127	-98.3	151.3	-162.4	-134	0.9	114.3
1121	S	30.9	Very low	31.8	Very low	116 Å²	116	135.5 Å²	135.5	81%	0.811	79%	0.788	S	S	*	*			trans	-101.1	109.4	171.8	60	0	0	0	0	112.8
1122	C	31.1	Very low	32.1	Very low	126 Å²	126	133.3 Å²	133.3	85%	0.851	79%	0.786	S	S	*	*			trans	-156	148.4	168.6	-96.3	0	0	0	0	108.1
1123	S	34.9	Very low	32.1	Very low	80 Å²	80	136.7 Å²	136.7	56%	0.559	78%	0.783	S	S	*	*			cis	-157.1	168.6	-9.3	62.2	0	0	0	0	109	L1125	S1123-L1125 PolarHBondContact O-N 2.69Å
1124	V	40.6	Very low	32.2	Very low	150 Å²	150	135.7 Å²	135.7	91%	0.909	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	45.9	-176	-164.3	0	0	0	0	112.4
1125	L	34.3	Very low	32.3	Very low	134 Å²	134	136.5 Å²	136.5	70%	0.702	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.9	14	179.3	-109.7	166.9	0	0	0	113.2	S1123	S1123-L1125 PolarHBondContact O-N 2.69Å
1126	Q	34.2	Very low	32.2	Very low	166 Å²	166	142.6 Å²	142.6	78%	0.776	79%	0.79	S	S	*	*	S	Bend	trans	-114.1	3.3	-178.5	-154.9	164.2	-2	0	0	114.2
1127	M	38.7	Very low	32.2	Very low	182 Å²	182	140.9 Å²	140.9	90%	0.897	78%	0.784	S	S	*	*	S	Bend	trans	-99.2	-3.6	166.5	-66.1	-177.4	-176.3	0	0	113.1
1128	A	38.2	Very low	32.7	Very low	86 Å²	86	143.8 Å²	143.8	71%	0.711	79%	0.79	S	S	*	*	S	Bend	trans	-112.1	13.8	-175.6	0	0	0	0	0	113.6
1129	K	30.9	Very low	32.7	Very low	143 Å²	143	139.2 Å²	139.2	62%	0.622	78%	0.784	S	S	*	*	S	Bend	trans	-123.6	30.6	177.8	-143.2	-162	-171.8	-114.4	0	114.1	E1133	K1129-E1133 IonicContact NZ-OE1 2.74Å; K1129-E1133 PolarHBondContact NZ-OE1 2.84Å; K1129-E1133 IonicContact NZ-OE2 3.33Å; K1129-E1133 PolarHBondContact NZ-OE2 3.14Å
1130	T	34.7	Very low	33	Very low	115 Å²	115	138.9 Å²	138.9	71%	0.706	79%	0.789	S	S	*	*	S	Bend	trans	-133.9	14.3	-176	1.6	0	0	0	0	113.8
1131	L	35.9	Very low	32.8	Very low	180 Å²	180	130.6 Å²	130.6	94%	0.942	78%	0.782	S	S	*	*	S	Bend	trans	-137.7	21.6	177.9	-76.4	177	0	0	0	113.7
1132	S	34.3	Very low	32.7	Very low	109 Å²	109	137.5 Å²	137.5	76%	0.762	79%	0.79	S	S	*	*	S	Bend	trans	-162	67.9	177.2	-179.9	0	0	0	0	112.8
1133	E	28.2	Very low	32.5	Very low	142 Å²	142	137.3 Å²	137.3	66%	0.664	79%	0.79	S	S	*	*			trans	-165.3	80.6	166.1	-112.8	162.5	-140.6	0	0	109.7	K1129	K1129-E1133 IonicContact NZ-OE1 2.74Å; K1129-E1133 PolarHBondContact NZ-OE1 2.84Å; K1129-E1133 IonicContact NZ-OE2 3.33Å; K1129-E1133 PolarHBondContact NZ-OE2 3.14Å
1134	V	30.4	Very low	32.2	Very low	129 Å²	129	137.9 Å²	137.9	78%	0.782	80%	0.8	S	S	*	*			trans	-144.2	96	161.3	-176	0	0	0	0	108.5	Y1136	V1134-Y1136 HydrophobicContact CG1-CD2 4.25Å
1135	D	27.7	Very low	31.5	Very low	158 Å²	158	138.8 Å²	138.8	85%	0.845	80%	0.799	S	S	*	*			trans	-77.6	156.3	169.3	-76.5	-58.8	0	0	0	111.6
1136	Y	28.5	Very low	31.3	Very low	224 Å²	224	139.3 Å²	139.3	88%	0.878	80%	0.801	S	S	*	*			trans	-146.7	117.8	171.3	-117	-76.9	0	0	0	113.5	V1134	V1134-Y1136 HydrophobicContact CG1-CD2 4.25Å
1137	A	27.1	Very low	31.3	Very low	90 Å²	90	137.3 Å²	137.3	74%	0.744	80%	0.803	S	S	*	*			trans	-167.1	158.7	170.3	0	0	0	0	0	109.7
1138	P	37.4	Very low	30.8	Very low	127 Å²	127	134.8 Å²	134.8	83%	0.825	79%	0.793	S	S	*	*			cis	-135.6	149.7	-22.9	34.8	-17.3	0	0	0	115.5
1139	G	27.6	Very low	30.5	Very low	77 Å²	77	136.5 Å²	136.5	79%	0.794	80%	0.797	S	S	*	*			trans	80.5	176.9	157.5	0	0	0	0	0	118.2
1140	P	36.9	Very low	30.3	Very low	132 Å²	132	138 Å²	138	86%	0.857	81%	0.81	S	S	*	*			cis	-126.5	147.9	3.7	39.4	-24.7	0	0	0	116.8
1141	G	26.7	Very low	30	Very low	76 Å²	76	141 Å²	141	78%	0.784	82%	0.816	S	S	*	*			trans	73.7	109.6	131.1	0	0	0	0	0	122
1142	R	27.8	Very low	29.5	Very low	262 Å²	262	140.8 Å²	140.8	99%	0.989	82%	0.815	S	S	*	*				-155.2	144.5	124.4	-110.3	171.9	-170.3	-163.3	1.3	110.7
1143	S	26.8	Very low	29.1	Very low	122 Å²	122	144.2 Å²	144.2	85%	0.853	82%	0.819	S	S	*	*			trans	-120.2	134.4	-176.3	177.5	0	0	0	0	110.7
1144	A	28.4	Very low	30	Very low	91 Å²	91	143 Å²	143	75%	0.752	82%	0.824	S	S	*	*			trans	-161.7	102.3	163	0	0	0	0	0	112.2
1145	L	27.9	Very low	30.1	Very low	170 Å²	170	142.7 Å²	142.7	89%	0.89	83%	0.825	S	S	*	*			trans	57.3	121.7	141.7	-58.2	171.2	0	0	0	121.3
1146	L	28.9	Very low	30.1	Very low	145 Å²	145	147 Å²	147	76%	0.759	83%	0.829	S	S	*	*			trans	-65.8	164.6	161.5	-69	156.8	0	0	0	112.2
1147	P	34.4	Very low	30.2	Very low	124 Å²	124	139.8 Å²	139.8	81%	0.805	82%	0.823	S	S	*	*				-116.8	151.4	110.7	-9	27.7	0	0	0	113.9
1148	N	28.1	Very low	30.7	Very low	128 Å²	128	141.3 Å²	141.3	68%	0.684	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-76	151.4	172.8	-71.7	-8.8	0	0	0	111.8
1149	P	31.4	Very low	30.3	Very low	123 Å²	123	140 Å²	140	80%	0.799	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-70.8	144.4	156.3	32.4	-32.8	0	0	0	110.3
1150	L	28	Very low	30.4	Very low	173 Å²	173	143.3 Å²	143.3	91%	0.906	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-94.6	151.8	169	-83.3	165.5	0	0	0	110.8
1151	E	28.1	Very low	30	Very low	178 Å²	178	148.4 Å²	148.4	83%	0.832	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-67.8	155.2	172.9	-57.6	170	98.4	0	0	111.8
1152	L	25.7	Very low	30	Very low	176 Å²	176	148.4 Å²	148.4	92%	0.921	82%	0.822	S	S	*	*				-173.9	169	113.4	-99.1	164.6	0	0	0	113.4
1153	Q	25.9	Very low	30.2	Very low	181 Å²	181	147.4 Å²	147.4	85%	0.846	82%	0.819	S	S	*	*			trans	-89.5	168.2	-168.2	-93.2	-172.8	3.2	0	0	115.1
1154	P	45.9	Very low	31.3	Very low	116 Å²	116	146.6 Å²	146.6	75%	0.753	81%	0.811	S	S	*	*			trans	-95.1	166.1	-167.9	38.1	-37.5	0	0	0	114.8
1155	P	33.5	Very low	31.2	Very low	123 Å²	123	150.2 Å²	150.2	80%	0.799	82%	0.817	S	S	*	*			trans	-111.6	131.4	157.8	34.6	-24.7	0	0	0	114.1
1156	R	27.3	Very low	31.3	Very low	248 Å²	248	150.7 Å²	150.7	94%	0.936	83%	0.834	S	S	*	*			trans	-19.1	142.2	147.8	-57.6	163.3	177.3	177	-3.5	116.1
1157	G	30.6	Very low	31.4	Very low	74 Å²	74	151 Å²	151	76%	0.763	84%	0.838	S	S	*	*			trans	-99.6	-179.4	158.4	0	0	0	0	0	112.7
1158	P	37.3	Very low	31.3	Very low	121 Å²	121	152.4 Å²	152.4	79%	0.786	84%	0.84	S	S	*	*			trans	-131.2	145.8	162.6	37.9	-24.5	0	0	0	115.6
1159	S	29.7	Very low	31.5	Very low	101 Å²	101	153.8 Å²	153.8	71%	0.706	85%	0.848	S	S	*	*			trans	16.2	130.1	151.3	59.6	0	0	0	0	123
1160	D	29.6	Very low	31.5	Very low	146 Å²	146	155.6 Å²	155.6	78%	0.781	85%	0.851	S	S	*	*			trans	25.4	137.3	132.4	-62.1	-59.9	0	0	0	122.5
1161	Y	28.1	Very low	31.7	Very low	239 Å²	239	154.5 Å²	154.5	94%	0.937	85%	0.848	S	S	*	*				-175.8	151.5	110.8	-107	-73.9	0	0	0	112.5
1162	G	26.3	Very low	31.9	Very low	75 Å²	75	152.9 Å²	152.9	77%	0.773	85%	0.849	S	S	*	*			trans	88.2	88.5	143.7	0	0	0	0	0	120.9
1163	R	31.5	Very low	32.4	Very low	241 Å²	241	151.3 Å²	151.3	91%	0.909	84%	0.844	S	S	*	*			trans	-83.7	171.9	140.7	-101.8	-165.2	-179.2	-164.3	3.6	109
1164	P	50.9	Low	32.9	Very low	106 Å²	106	149 Å²	149	69%	0.688	84%	0.843	S	S	*	*			cis	-133.8	-175.9	-40.7	40.1	-24.1	0	0	0	111.4
1165	L	26.5	Very low	31.8	Very low	167 Å²	167	151.8 Å²	151.8	87%	0.874	85%	0.851	S	S	*	*			trans	179.2	138.8	149.5	-98	158	0	0	0	106.4
1166	S	30	Very low	31.6	Very low	180 Å²	180	154.4 Å²	154.4	100%	1.259	86%	0.856	S	S	*	*			cis	-129.6	0	3.1	-49.6	0	0	0	0	111.2

Retrieved 1,166 of 1,166 residues in 866.9 ms (Link to these results)

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